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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
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12810 |
1tnp ![]() ![]() |
4232 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 660 H/Q atoms Start of MODEL 1 1 1H ALA 1 1H ALA 1 -17.054 4.615 11.559 2 2H ALA 1 2H ALA 1 -17.891 5.840 12.352 3 3H ALA 1 3H ALA 1 -17.887 4.281 12.981 4 HA ALA 1 HA ALA 1 -19.242 3.419 11.365 5 1HB ALA 1 1HB ALA 1 -20.269 5.120 13.094 6 2HB ALA 1 2HB ALA 1 -20.447 6.223 11.717 7 3HB ALA 1 3HB ALA 1 -21.281 4.648 11.708 8 H SER 2 H SER 2 -19.862 3.330 9.254 9 HA SER 2 HA SER 2 -19.862 3.718 6.876 10 1HB SER 2 1HB SER 2 -20.934 5.937 7.745 11 2HB SER 2 2HB SER 2 -19.367 6.683 7.419 12 HG SER 2 HG SER 2 -20.465 5.027 5.453 13 H MET 3 H MET 3 -17.948 2.518 6.702 14 HA MET 3 HA MET 3 -15.428 4.153 6.054 15 1HB MET 3 1HB MET 3 -13.969 2.389 6.817 16 2HB MET 3 2HB MET 3 -15.052 2.824 8.125 17 1HG MET 3 1HG MET 3 -15.659 0.397 6.331 18 2HG MET 3 2HG MET 3 -14.562 0.281 7.716 19 1HE MET 3 1HE MET 3 -15.108 -0.243 9.870 20 2HE MET 3 2HE MET 3 -16.735 -0.359 10.605 21 3HE MET 3 3HE MET 3 -16.261 -1.494 9.308 22 H THR 4 H THR 4 -17.545 3.704 4.326 23 HA THR 4 HA THR 4 -16.784 1.515 2.403 24 HB THR 4 HB THR 4 -18.811 3.746 1.906 25 HG1 THR 4 HG1 THR 4 -20.267 2.527 2.837 26 1HG2 THR 4 1HG2 THR 4 -19.899 2.176 0.345 27 2HG2 THR 4 2HG2 THR 4 -18.226 2.455 -0.186 28 3HG2 THR 4 3HG2 THR 4 -18.663 0.932 0.632 29 H ASP 5 H ASP 5 -15.098 4.046 3.226 30 HA ASP 5 HA ASP 5 -13.881 4.485 0.535 31 1HB ASP 5 1HB ASP 5 -15.216 6.889 1.904 32 2HB ASP 5 2HB ASP 5 -14.024 7.024 0.632 33 H GLN 6 H GLN 6 -13.220 3.406 3.158 34 HA GLN 6 HA GLN 6 -11.426 4.836 4.843 35 1HB GLN 6 1HB GLN 6 -10.692 2.090 3.682 36 2HB GLN 6 2HB GLN 6 -10.170 2.795 5.202 37 1HG GLN 6 1HG GLN 6 -13.157 2.508 4.923 38 2HG GLN 6 2HG GLN 6 -12.138 2.276 6.329 39 1HE2 GLN 6 1HE2 GLN 6 -12.172 -1.268 5.905 40 2HE2 GLN 6 2HE2 GLN 6 -11.934 0.202 6.977 41 H GLN 7 H GLN 7 -10.978 3.758 1.510 42 HA GLN 7 HA GLN 7 -8.179 4.110 1.043 43 1HB GLN 7 1HB GLN 7 -10.440 4.828 -0.918 44 2HB GLN 7 2HB GLN 7 -8.744 4.676 -1.340 45 1HG GLN 7 1HG GLN 7 -8.727 2.342 -1.197 46 2HG GLN 7 2HG GLN 7 -9.973 2.270 0.032 47 1HE2 GLN 7 1HE2 GLN 7 -12.649 1.992 -2.371 48 2HE2 GLN 7 2HE2 GLN 7 -12.124 2.052 -0.614 49 H ALA 8 H ALA 8 -10.728 6.583 0.513 50 HA ALA 8 HA ALA 8 -8.939 8.806 -0.120 51 1HB ALA 8 1HB ALA 8 -11.106 9.171 -0.883 52 2HB ALA 8 2HB ALA 8 -11.881 8.576 0.598 53 3HB ALA 8 3HB ALA 8 -11.129 10.192 0.574 54 H GLU 9 H GLU 9 -10.262 7.538 2.888 55 HA GLU 9 HA GLU 9 -9.919 9.745 4.704 56 1HB GLU 9 1HB GLU 9 -10.898 7.239 5.023 57 2HB GLU 9 2HB GLU 9 -9.337 6.983 5.776 58 1HG GLU 9 1HG GLU 9 -10.837 9.447 6.709 59 2HG GLU 9 2HG GLU 9 -9.827 8.339 7.623 60 H ALA 10 H ALA 10 -7.605 7.397 3.455 61 HA ALA 10 HA ALA 10 -5.388 7.784 5.301 62 1HB ALA 10 1HB ALA 10 -3.971 6.732 3.545 63 2HB ALA 10 2HB ALA 10 -5.495 5.851 3.759 64 3HB ALA 10 3HB ALA 10 -5.273 6.910 2.344 65 NH1 ARG 11 NH1 ARG 11 -5.718 13.722 -2.877 66 NH2 ARG 11 NH2 ARG 11 -7.095 15.528 -2.900 67 H ARG 11 H ARG 11 -6.079 9.266 2.124 68 HA ARG 11 HA ARG 11 -3.657 10.958 1.949 69 1HB ARG 11 1HB ARG 11 -5.448 10.185 0.075 70 2HB ARG 11 2HB ARG 11 -4.407 11.590 -0.097 71 1HG ARG 11 1HG ARG 11 -7.077 11.718 -0.534 72 2HG ARG 11 2HG ARG 11 -7.120 12.050 1.199 73 1HD ARG 11 1HD ARG 11 -6.133 14.147 0.988 74 2HD ARG 11 2HD ARG 11 -5.025 13.633 -0.282 75 HE ARG 11 HE ARG 11 -7.925 14.458 -0.753 76 1HH1 ARG 11 1HH1 ARG 11 -6.746 15.683 -3.853 77 2HH1 ARG 11 2HH1 ARG 11 -7.792 16.094 -2.402 78 1HH2 ARG 11 1HH2 ARG 11 -5.262 12.988 -2.324 79 2HH2 ARG 11 2HH2 ARG 11 -5.572 13.920 -3.874 80 H ALA 12 H ALA 12 -6.927 11.370 3.205 81 HA ALA 12 HA ALA 12 -6.927 14.292 3.586 82 1HB ALA 12 1HB ALA 12 -8.896 13.922 5.057 83 2HB ALA 12 2HB ALA 12 -9.037 12.993 3.551 84 3HB ALA 12 3HB ALA 12 -8.600 12.166 5.067 85 H PHE 13 H PHE 13 -5.715 11.575 5.456 86 HA PHE 13 HA PHE 13 -5.426 13.006 8.040 87 1HB PHE 13 1HB PHE 13 -5.798 10.587 8.034 88 2HB PHE 13 2HB PHE 13 -4.375 10.286 7.072 89 HD1 PHE 13 HD1 PHE 13 -2.202 10.007 8.160 90 HD2 PHE 13 HD2 PHE 13 -5.527 11.499 10.450 91 HE1 PHE 13 HE1 PHE 13 -0.899 9.762 10.233 92 HE2 PHE 13 HE2 PHE 13 -4.208 11.246 12.511 93 HZ PHE 13 HZ PHE 13 -1.901 10.367 12.410 94 H LEU 14 H LEU 14 -3.251 12.000 5.411 95 HA LEU 14 HA LEU 14 -0.836 13.335 6.652 96 1HB LEU 14 1HB LEU 14 0.499 12.269 5.009 97 2HB LEU 14 2HB LEU 14 -0.817 12.107 3.866 98 HG LEU 14 HG LEU 14 -1.820 10.458 5.800 99 1HD1 LEU 14 1HD1 LEU 14 -0.857 8.533 4.529 100 2HD1 LEU 14 2HD1 LEU 14 -1.403 9.805 3.420 101 3HD1 LEU 14 3HD1 LEU 14 0.336 9.607 3.754 102 1HD2 LEU 14 1HD2 LEU 14 1.239 10.244 6.210 103 2HD2 LEU 14 2HD2 LEU 14 0.050 10.773 7.426 104 3HD2 LEU 14 3HD2 LEU 14 0.024 9.103 6.841 105 H SER 15 H SER 15 0.483 14.733 5.180 106 HA SER 15 HA SER 15 -1.195 17.022 4.197 107 1HB SER 15 1HB SER 15 1.785 17.219 3.948 108 2HB SER 15 2HB SER 15 0.611 18.363 4.605 109 HG SER 15 HG SER 15 1.596 17.644 6.337 110 H GLU 16 H GLU 16 0.343 18.136 2.253 111 HA GLU 16 HA GLU 16 -0.317 16.491 -0.173 112 1HB GLU 16 1HB GLU 16 -0.004 18.436 -1.486 113 2HB GLU 16 2HB GLU 16 -0.856 18.938 -0.038 114 1HG GLU 16 1HG GLU 16 1.414 19.773 0.904 115 2HG GLU 16 2HG GLU 16 2.125 19.415 -0.661 116 H GLU 17 H GLU 17 2.544 18.119 1.187 117 HA GLU 17 HA GLU 17 4.468 16.972 -0.785 118 1HB GLU 17 1HB GLU 17 4.767 19.216 0.394 119 2HB GLU 17 2HB GLU 17 5.190 18.345 1.854 120 1HG GLU 17 1HG GLU 17 6.994 17.173 0.112 121 2HG GLU 17 2HG GLU 17 7.344 18.577 1.106 122 H MET 18 H MET 18 3.340 16.211 2.461 123 HA MET 18 HA MET 18 5.303 14.284 3.349 124 1HB MET 18 1HB MET 18 3.624 15.096 4.916 125 2HB MET 18 2HB MET 18 2.304 14.452 3.957 126 1HG MET 18 1HG MET 18 2.697 12.199 4.640 127 2HG MET 18 2HG MET 18 4.389 12.506 5.064 128 1HE MET 18 1HE MET 18 4.503 13.854 8.525 129 2HE MET 18 2HE MET 18 5.299 13.602 6.943 130 3HE MET 18 3HE MET 18 4.418 15.124 7.264 131 H ILE 19 H ILE 19 2.534 13.991 1.180 132 HA ILE 19 HA ILE 19 2.486 11.045 0.938 133 HB ILE 19 HB ILE 19 1.269 13.255 -0.774 134 1HG1 ILE 19 1HG1 ILE 19 -0.063 11.058 0.949 135 2HG1 ILE 19 2HG1 ILE 19 0.178 12.714 1.465 136 1HG2 ILE 19 1HG2 ILE 19 0.128 11.520 -2.174 137 2HG2 ILE 19 2HG2 ILE 19 1.877 11.396 -2.355 138 3HG2 ILE 19 3HG2 ILE 19 1.014 10.224 -1.332 139 1HD1 ILE 19 1HD1 ILE 19 -1.651 11.880 -0.862 140 2HD1 ILE 19 2HD1 ILE 19 -2.130 12.480 0.739 141 3HD1 ILE 19 3HD1 ILE 19 -1.300 13.567 -0.397 142 H ALA 20 H ALA 20 3.880 13.689 -1.017 143 HA ALA 20 HA ALA 20 5.036 12.201 -3.191 144 1HB ALA 20 1HB ALA 20 5.668 14.871 -1.902 145 2HB ALA 20 2HB ALA 20 6.818 14.214 -3.083 146 3HB ALA 20 3HB ALA 20 5.126 14.509 -3.558 147 H GLU 21 H GLU 21 6.150 12.699 0.114 148 HA GLU 21 HA GLU 21 8.944 11.846 -0.208 149 1HB GLU 21 1HB GLU 21 8.669 11.424 2.415 150 2HB GLU 21 2HB GLU 21 7.146 12.264 2.201 151 1HG GLU 21 1HG GLU 21 9.817 13.488 1.272 152 2HG GLU 21 2HG GLU 21 8.273 14.309 1.425 153 H PHE 22 H PHE 22 5.936 10.198 0.667 154 HA PHE 22 HA PHE 22 7.073 7.560 1.357 155 1HB PHE 22 1HB PHE 22 4.238 8.395 0.521 156 2HB PHE 22 2HB PHE 22 4.648 6.739 0.886 157 HD1 PHE 22 HD1 PHE 22 2.582 8.393 2.405 158 HD2 PHE 22 HD2 PHE 22 6.769 7.763 3.181 159 HE1 PHE 22 HE1 PHE 22 2.236 8.945 4.777 160 HE2 PHE 22 HE2 PHE 22 6.391 8.264 5.561 161 HZ PHE 22 HZ PHE 22 4.129 8.853 6.364 162 H LYS 23 H LYS 23 5.978 9.153 -1.586 163 HA LYS 23 HA LYS 23 5.840 6.952 -3.457 164 1HB LYS 23 1HB LYS 23 5.177 9.433 -3.852 165 2HB LYS 23 2HB LYS 23 6.861 9.752 -4.212 166 1HG LYS 23 1HG LYS 23 6.181 9.372 -6.361 167 2HG LYS 23 2HG LYS 23 6.507 7.697 -5.962 168 1HD LYS 23 1HD LYS 23 3.687 8.821 -5.502 169 2HD LYS 23 2HD LYS 23 4.194 7.152 -5.709 170 1HE LYS 23 1HE LYS 23 4.588 9.095 -8.036 171 2HE LYS 23 2HE LYS 23 4.443 7.337 -8.089 172 1HZ LYS 23 1HZ LYS 23 2.337 7.864 -8.676 173 2HZ LYS 23 2HZ LYS 23 2.059 8.014 -7.055 174 3HZ LYS 23 3HZ LYS 23 2.352 9.357 -7.970 175 H ALA 24 H ALA 24 8.573 8.836 -2.241 176 HA ALA 24 HA ALA 24 10.676 8.178 -4.081 177 1HB ALA 24 1HB ALA 24 12.266 8.673 -2.234 178 2HB ALA 24 2HB ALA 24 10.955 9.866 -2.288 179 3HB ALA 24 3HB ALA 24 10.950 8.597 -1.038 180 H ALA 25 H ALA 25 9.728 6.465 -1.087 181 HA ALA 25 HA ALA 25 11.723 4.293 -1.315 182 1HB ALA 25 1HB ALA 25 10.509 3.260 0.596 183 2HB ALA 25 2HB ALA 25 10.819 4.982 0.887 184 3HB ALA 25 3HB ALA 25 9.184 4.437 0.433 185 H PHE 26 H PHE 26 8.380 4.750 -2.314 186 HA PHE 26 HA PHE 26 7.595 1.998 -2.880 187 1HB PHE 26 1HB PHE 26 6.572 4.479 -4.378 188 2HB PHE 26 2HB PHE 26 6.077 4.092 -2.751 189 HD1 PHE 26 HD1 PHE 26 3.982 2.986 -2.602 190 HD2 PHE 26 HD2 PHE 26 6.435 2.201 -6.048 191 HE1 PHE 26 HE1 PHE 26 2.221 1.544 -3.541 192 HE2 PHE 26 HE2 PHE 26 4.662 0.765 -6.972 193 HZ PHE 26 HZ PHE 26 2.552 0.441 -5.728 194 H ASP 27 H ASP 27 9.381 4.435 -4.690 195 HA ASP 27 HA ASP 27 9.405 3.066 -7.305 196 1HB ASP 27 1HB ASP 27 10.380 5.608 -6.282 197 2HB ASP 27 2HB ASP 27 9.999 5.130 -7.921 198 H MET 28 H MET 28 11.387 2.943 -4.425 199 HA MET 28 HA MET 28 13.883 1.882 -5.265 200 1HB MET 28 1HB MET 28 12.897 2.279 -2.798 201 2HB MET 28 2HB MET 28 12.582 0.555 -2.860 202 1HG MET 28 1HG MET 28 14.711 0.454 -1.948 203 2HG MET 28 2HG MET 28 15.196 0.463 -3.651 204 1HE MET 28 1HE MET 28 17.242 1.819 -1.035 205 2HE MET 28 2HE MET 28 17.431 1.045 -2.637 206 3HE MET 28 3HE MET 28 17.992 2.724 -2.388 207 H PHE 29 H PHE 29 10.760 0.254 -5.036 208 HA PHE 29 HA PHE 29 11.940 -2.415 -5.962 209 1HB PHE 29 1HB PHE 29 9.734 -3.424 -5.362 210 2HB PHE 29 2HB PHE 29 9.082 -1.857 -4.970 211 HD1 PHE 29 HD1 PHE 29 8.745 -3.732 -2.888 212 HD2 PHE 29 HD2 PHE 29 12.303 -1.460 -3.735 213 HE1 PHE 29 HE1 PHE 29 9.487 -4.000 -0.556 214 HE2 PHE 29 HE2 PHE 29 13.015 -1.725 -1.394 215 HZ PHE 29 HZ PHE 29 11.618 -2.999 0.193 216 H ASP 30 H ASP 30 9.654 0.147 -6.779 217 HA ASP 30 HA ASP 30 9.231 -1.042 -9.563 218 1HB ASP 30 1HB ASP 30 7.622 1.363 -8.670 219 2HB ASP 30 2HB ASP 30 7.272 -0.165 -7.896 220 H ALA 31 H ALA 31 11.243 -0.468 -10.358 221 HA ALA 31 HA ALA 31 12.596 2.066 -10.417 222 1HB ALA 31 1HB ALA 31 13.646 1.286 -12.546 223 2HB ALA 31 2HB ALA 31 13.602 -0.001 -11.325 224 3HB ALA 31 3HB ALA 31 12.452 -0.026 -12.688 225 H ASP 32 H ASP 32 11.057 0.997 -13.398 226 HA ASP 32 HA ASP 32 9.932 3.780 -13.896 227 1HB ASP 32 1HB ASP 32 9.579 2.900 -16.298 228 2HB ASP 32 2HB ASP 32 10.469 1.468 -15.834 229 H GLY 33 H GLY 33 8.063 3.864 -12.801 230 1HA GLY 33 1HA GLY 33 5.578 2.927 -13.890 231 2HA GLY 33 2HA GLY 33 6.012 1.699 -12.697 232 H GLY 34 H GLY 34 6.644 2.545 -10.501 233 1HA GLY 34 1HA GLY 34 5.906 3.599 -8.444 234 2HA GLY 34 2HA GLY 34 5.903 5.100 -9.378 235 H GLY 35 H GLY 35 3.968 2.104 -9.162 236 1HA GLY 35 1HA GLY 35 1.484 2.776 -10.301 237 2HA GLY 35 2HA GLY 35 1.399 3.645 -8.767 238 H ASP 36 H ASP 36 2.948 0.517 -9.390 239 HA ASP 36 HA ASP 36 1.354 -0.839 -7.208 240 1HB ASP 36 1HB ASP 36 0.673 -1.161 -10.090 241 2HB ASP 36 2HB ASP 36 -0.298 -1.405 -8.658 242 H ILE 37 H ILE 37 2.331 -2.646 -6.437 243 HA ILE 37 HA ILE 37 4.908 -3.686 -7.689 244 HB ILE 37 HB ILE 37 6.033 -3.669 -5.398 245 1HG1 ILE 37 1HG1 ILE 37 4.013 -1.413 -4.766 246 2HG1 ILE 37 2HG1 ILE 37 4.008 -2.992 -4.009 247 1HG2 ILE 37 1HG2 ILE 37 7.050 -1.421 -5.783 248 2HG2 ILE 37 2HG2 ILE 37 6.766 -2.234 -7.329 249 3HG2 ILE 37 3HG2 ILE 37 5.674 -0.932 -6.801 250 1HD1 ILE 37 1HD1 ILE 37 6.272 -0.935 -3.699 251 2HD1 ILE 37 2HD1 ILE 37 5.073 -1.426 -2.484 252 3HD1 ILE 37 3HD1 ILE 37 6.302 -2.590 -3.031 253 H SER 38 H SER 38 5.613 -5.503 -5.874 254 HA SER 38 HA SER 38 3.448 -7.569 -6.052 255 1HB SER 38 1HB SER 38 5.838 -8.330 -4.470 256 2HB SER 38 2HB SER 38 6.254 -7.663 -6.051 257 HG SER 38 HG SER 38 5.695 -9.996 -5.788 258 H THR 39 H THR 39 2.532 -8.639 -4.303 259 HA THR 39 HA THR 39 1.956 -6.951 -1.885 260 HB THR 39 HB THR 39 0.264 -8.616 -1.273 261 HG1 THR 39 HG1 THR 39 1.709 -10.247 -2.614 262 1HG2 THR 39 1HG2 THR 39 -1.308 -8.382 -3.146 263 2HG2 THR 39 2HG2 THR 39 -0.402 -6.861 -2.971 264 3HG2 THR 39 3HG2 THR 39 0.006 -8.000 -4.282 265 H LYS 40 H LYS 40 3.753 -9.846 -2.747 266 HA LYS 40 HA LYS 40 4.253 -10.946 -0.082 267 1HB LYS 40 1HB LYS 40 5.588 -11.263 -2.793 268 2HB LYS 40 2HB LYS 40 6.483 -11.802 -1.389 269 1HG LYS 40 1HG LYS 40 4.451 -13.259 -0.756 270 2HG LYS 40 2HG LYS 40 3.701 -12.786 -2.268 271 1HD LYS 40 1HD LYS 40 5.864 -13.761 -3.447 272 2HD LYS 40 2HD LYS 40 6.247 -14.445 -1.876 273 1HE LYS 40 1HE LYS 40 3.788 -15.483 -1.967 274 2HE LYS 40 2HE LYS 40 3.899 -15.179 -3.702 275 1HZ LYS 40 1HZ LYS 40 4.714 -17.417 -2.766 276 2HZ LYS 40 2HZ LYS 40 5.661 -16.680 -3.902 277 3HZ LYS 40 3HZ LYS 40 6.084 -16.617 -2.306 278 H GLU 41 H GLU 41 5.773 -8.417 -2.001 279 HA GLU 41 HA GLU 41 8.095 -8.067 -0.105 280 1HB GLU 41 1HB GLU 41 7.931 -7.800 -2.827 281 2HB GLU 41 2HB GLU 41 7.709 -6.124 -2.366 282 1HG GLU 41 1HG GLU 41 10.099 -6.604 -2.830 283 2HG GLU 41 2HG GLU 41 9.888 -6.101 -1.161 284 H LEU 42 H LEU 42 5.037 -6.564 -0.937 285 HA LEU 42 HA LEU 42 5.036 -3.949 -0.061 286 1HB LEU 42 1HB LEU 42 2.949 -4.809 -0.774 287 2HB LEU 42 2HB LEU 42 2.993 -6.171 0.324 288 HG LEU 42 HG LEU 42 1.205 -4.588 0.923 289 1HD1 LEU 42 1HD1 LEU 42 3.342 -2.456 1.564 290 2HD1 LEU 42 2HD1 LEU 42 2.393 -2.471 0.070 291 3HD1 LEU 42 3HD1 LEU 42 1.571 -2.273 1.637 292 1HD2 LEU 42 1HD2 LEU 42 1.580 -4.367 3.341 293 2HD2 LEU 42 2HD2 LEU 42 2.354 -5.879 2.804 294 3HD2 LEU 42 3HD2 LEU 42 3.349 -4.450 3.138 295 H GLY 43 H GLY 43 4.433 -6.649 2.214 296 1HA GLY 43 1HA GLY 43 5.041 -6.954 4.561 297 2HA GLY 43 2HA GLY 43 4.532 -5.275 4.700 298 H THR 44 H THR 44 7.345 -6.777 3.042 299 HA THR 44 HA THR 44 9.432 -6.132 4.794 300 HB THR 44 HB THR 44 9.446 -6.345 1.788 301 HG1 THR 44 HG1 THR 44 11.188 -7.822 2.614 302 1HG2 THR 44 1HG2 THR 44 11.919 -6.019 1.700 303 2HG2 THR 44 2HG2 THR 44 11.088 -4.501 2.099 304 3HG2 THR 44 3HG2 THR 44 11.918 -5.424 3.379 305 H VAL 45 H VAL 45 7.870 -4.052 2.377 306 HA VAL 45 HA VAL 45 9.380 -1.588 2.715 307 HB VAL 45 HB VAL 45 6.393 -1.603 2.097 308 1HG1 VAL 45 1HG1 VAL 45 8.596 -2.074 -0.007 309 2HG1 VAL 45 2HG1 VAL 45 7.602 -3.372 0.665 310 3HG1 VAL 45 3HG1 VAL 45 6.831 -2.063 -0.260 311 1HG2 VAL 45 1HG2 VAL 45 6.825 0.394 0.763 312 2HG2 VAL 45 2HG2 VAL 45 7.609 0.665 2.337 313 3HG2 VAL 45 3HG2 VAL 45 8.592 0.221 0.934 314 H MET 46 H MET 46 6.428 -2.805 4.332 315 HA MET 46 HA MET 46 5.778 -0.626 6.054 316 1HB MET 46 1HB MET 46 4.824 -3.233 5.780 317 2HB MET 46 2HB MET 46 4.213 -2.005 6.874 318 1HG MET 46 1HG MET 46 6.098 -4.331 7.535 319 2HG MET 46 2HG MET 46 5.997 -2.926 8.608 320 1HE MET 46 1HE MET 46 2.355 -2.334 8.116 321 2HE MET 46 2HE MET 46 2.423 -2.744 9.855 322 3HE MET 46 3HE MET 46 3.736 -1.782 9.115 323 NH1 ARG 47 NH1 ARG 47 13.634 -7.572 9.489 324 NH2 ARG 47 NH2 ARG 47 11.900 -8.938 8.952 325 H ARG 47 H ARG 47 8.205 -3.179 6.505 326 HA ARG 47 HA ARG 47 8.949 -2.392 9.301 327 1HB ARG 47 1HB ARG 47 9.164 -4.764 7.969 328 2HB ARG 47 2HB ARG 47 10.769 -4.135 7.629 329 1HG ARG 47 1HG ARG 47 9.635 -5.097 10.231 330 2HG ARG 47 2HG ARG 47 10.592 -3.621 10.374 331 1HD ARG 47 1HD ARG 47 12.258 -5.117 8.712 332 2HD ARG 47 2HD ARG 47 12.423 -5.012 10.463 333 HE ARG 47 HE ARG 47 10.594 -7.138 10.178 334 1HH1 ARG 47 1HH1 ARG 47 12.621 -9.634 8.731 335 2HH1 ARG 47 2HH1 ARG 47 10.885 -9.055 8.863 336 1HH2 ARG 47 1HH2 ARG 47 13.947 -6.626 9.734 337 2HH2 ARG 47 2HH2 ARG 47 14.230 -8.390 9.311 338 H MET 48 H MET 48 10.160 -1.847 6.030 339 HA MET 48 HA MET 48 12.761 -0.641 6.897 340 1HB MET 48 1HB MET 48 11.520 -0.649 4.082 341 2HB MET 48 2HB MET 48 12.490 -1.952 4.748 342 1HG MET 48 1HG MET 48 13.422 0.887 4.032 343 2HG MET 48 2HG MET 48 14.389 -0.154 5.089 344 1HE MET 48 1HE MET 48 16.002 -1.559 4.487 345 2HE MET 48 2HE MET 48 15.130 -3.026 3.951 346 3HE MET 48 3HE MET 48 16.362 -2.284 2.889 347 H LEU 49 H LEU 49 9.742 0.538 7.219 348 HA LEU 49 HA LEU 49 10.413 3.428 6.509 349 1HB LEU 49 1HB LEU 49 7.951 3.732 7.488 350 2HB LEU 49 2HB LEU 49 7.821 2.001 7.263 351 HG LEU 49 HG LEU 49 8.454 2.353 4.778 352 1HD1 LEU 49 1HD1 LEU 49 6.143 3.051 4.127 353 2HD1 LEU 49 2HD1 LEU 49 6.094 1.924 5.496 354 3HD1 LEU 49 3HD1 LEU 49 5.837 3.665 5.772 355 1HD2 LEU 49 1HD2 LEU 49 7.932 5.326 5.458 356 2HD2 LEU 49 2HD2 LEU 49 9.478 4.629 4.915 357 3HD2 LEU 49 3HD2 LEU 49 8.090 4.649 3.817 358 H GLY 50 H GLY 50 9.787 1.196 9.168 359 1HA GLY 50 1HA GLY 50 11.544 1.809 11.142 360 2HA GLY 50 2HA GLY 50 10.605 3.303 11.229 361 H GLN 51 H GLN 51 9.715 -0.131 10.835 362 HA GLN 51 HA GLN 51 7.613 0.157 13.060 363 1HB GLN 51 1HB GLN 51 7.284 -0.627 10.342 364 2HB GLN 51 2HB GLN 51 7.221 -2.133 11.240 365 1HG GLN 51 1HG GLN 51 5.032 -1.709 11.608 366 2HG GLN 51 2HG GLN 51 5.535 -0.526 12.798 367 1HE2 GLN 51 1HE2 GLN 51 4.187 2.189 10.903 368 2HE2 GLN 51 2HE2 GLN 51 4.620 1.440 12.521 369 H ASN 52 H ASN 52 7.043 -2.489 13.427 370 HA ASN 52 HA ASN 52 9.506 -4.039 14.120 371 1HB ASN 52 1HB ASN 52 9.712 -2.525 15.936 372 2HB ASN 52 2HB ASN 52 9.081 -4.002 16.632 373 1HD2 ASN 52 1HD2 ASN 52 7.039 -0.460 16.974 374 2HD2 ASN 52 2HD2 ASN 52 8.637 -0.624 16.086 375 HA PRO 53 HA PRO 53 5.252 -6.304 14.256 376 1HB PRO 53 1HB PRO 53 4.273 -5.032 12.517 377 2HB PRO 53 2HB PRO 53 4.426 -6.591 11.687 378 1HG PRO 53 1HG PRO 53 5.631 -4.275 10.750 379 2HG PRO 53 2HG PRO 53 6.212 -5.904 10.337 380 1HD PRO 53 1HD PRO 53 7.570 -3.862 11.927 381 2HD PRO 53 2HD PRO 53 8.147 -5.525 11.604 382 H THR 54 H THR 54 4.470 -8.465 13.235 383 HA THR 54 HA THR 54 6.829 -10.392 13.253 384 HB THR 54 HB THR 54 3.979 -10.632 14.178 385 HG1 THR 54 HG1 THR 54 4.988 -11.537 15.872 386 1HG2 THR 54 1HG2 THR 54 4.041 -13.104 14.239 387 2HG2 THR 54 2HG2 THR 54 4.101 -12.544 12.552 388 3HG2 THR 54 3HG2 THR 54 5.582 -13.131 13.350 389 H LYS 55 H LYS 55 6.955 -12.065 11.741 390 HA LYS 55 HA LYS 55 6.278 -11.264 8.949 391 1HB LYS 55 1HB LYS 55 7.409 -14.007 9.669 392 2HB LYS 55 2HB LYS 55 8.412 -12.589 9.887 393 1HG LYS 55 1HG LYS 55 7.552 -12.162 7.289 394 2HG LYS 55 2HG LYS 55 7.452 -13.910 7.346 395 1HD LYS 55 1HD LYS 55 9.960 -12.165 7.734 396 2HD LYS 55 2HD LYS 55 9.921 -13.839 8.263 397 1HE LYS 55 1HE LYS 55 9.162 -13.161 5.374 398 2HE LYS 55 2HE LYS 55 10.859 -13.297 5.839 399 1HZ LYS 55 1HZ LYS 55 9.966 -15.566 6.861 400 2HZ LYS 55 2HZ LYS 55 8.807 -15.386 5.697 401 3HZ LYS 55 3HZ LYS 55 10.402 -15.446 5.272 402 H GLU 56 H GLU 56 5.225 -13.695 11.294 403 HA GLU 56 HA GLU 56 3.442 -15.252 9.517 404 1HB GLU 56 1HB GLU 56 4.474 -15.895 11.863 405 2HB GLU 56 2HB GLU 56 3.061 -15.106 12.534 406 1HG GLU 56 1HG GLU 56 3.241 -17.694 10.948 407 2HG GLU 56 2HG GLU 56 1.771 -16.754 10.758 408 H GLU 57 H GLU 57 3.127 -12.400 11.559 409 HA GLU 57 HA GLU 57 0.168 -12.179 11.539 410 1HB GLU 57 1HB GLU 57 2.240 -9.988 12.089 411 2HB GLU 57 2HB GLU 57 0.513 -9.845 12.354 412 1HG GLU 57 1HG GLU 57 2.216 -11.984 13.780 413 2HG GLU 57 2HG GLU 57 2.013 -10.361 14.416 414 H LEU 58 H LEU 58 2.819 -11.102 9.487 415 HA LEU 58 HA LEU 58 1.435 -9.218 7.750 416 1HB LEU 58 1HB LEU 58 3.996 -9.804 7.901 417 2HB LEU 58 2HB LEU 58 3.648 -11.095 6.770 418 HG LEU 58 HG LEU 58 4.558 -8.958 5.728 419 1HD1 LEU 58 1HD1 LEU 58 2.998 -8.963 3.755 420 2HD1 LEU 58 2HD1 LEU 58 3.364 -10.608 4.293 421 3HD1 LEU 58 3HD1 LEU 58 1.792 -9.877 4.697 422 1HD2 LEU 58 1HD2 LEU 58 1.777 -7.773 6.382 423 2HD2 LEU 58 2HD2 LEU 58 3.323 -7.260 7.102 424 3HD2 LEU 58 3HD2 LEU 58 3.031 -7.011 5.371 425 H ASP 59 H ASP 59 1.657 -12.735 7.792 426 HA ASP 59 HA ASP 59 0.342 -13.493 5.342 427 1HB ASP 59 1HB ASP 59 -0.088 -14.917 8.028 428 2HB ASP 59 2HB ASP 59 -0.369 -15.577 6.434 429 H ALA 60 H ALA 60 -1.051 -12.562 8.490 430 HA ALA 60 HA ALA 60 -3.874 -12.869 7.812 431 1HB ALA 60 1HB ALA 60 -4.320 -11.510 9.851 432 2HB ALA 60 2HB ALA 60 -3.088 -12.750 10.157 433 3HB ALA 60 3HB ALA 60 -2.605 -11.046 9.956 434 H ILE 61 H ILE 61 -1.740 -10.000 7.827 435 HA ILE 61 HA ILE 61 -3.530 -7.915 7.208 436 HB ILE 61 HB ILE 61 -0.592 -8.250 6.579 437 1HG1 ILE 61 1HG1 ILE 61 -2.271 -6.612 8.514 438 2HG1 ILE 61 2HG1 ILE 61 -0.792 -7.504 8.799 439 1HG2 ILE 61 1HG2 ILE 61 -0.464 -5.969 5.544 440 2HG2 ILE 61 2HG2 ILE 61 -1.447 -7.046 4.554 441 3HG2 ILE 61 3HG2 ILE 61 -2.239 -5.831 5.584 442 1HD1 ILE 61 1HD1 ILE 61 -0.910 -4.759 7.419 443 2HD1 ILE 61 2HD1 ILE 61 -0.305 -5.135 9.046 444 3HD1 ILE 61 3HD1 ILE 61 0.570 -5.738 7.619 445 H ILE 62 H ILE 62 -2.096 -10.378 5.139 446 HA ILE 62 HA ILE 62 -2.722 -9.281 2.490 447 HB ILE 62 HB ILE 62 -2.043 -12.063 3.478 448 1HG1 ILE 62 1HG1 ILE 62 -0.033 -10.875 3.081 449 2HG1 ILE 62 2HG1 ILE 62 -0.245 -11.761 1.586 450 1HG2 ILE 62 1HG2 ILE 62 -2.274 -13.021 1.172 451 2HG2 ILE 62 2HG2 ILE 62 -3.842 -12.489 1.775 452 3HG2 ILE 62 3HG2 ILE 62 -2.974 -11.492 0.585 453 1HD1 ILE 62 1HD1 ILE 62 -0.879 -8.771 1.923 454 2HD1 ILE 62 2HD1 ILE 62 0.468 -9.506 1.029 455 3HD1 ILE 62 3HD1 ILE 62 -1.198 -9.721 0.445 456 H GLU 63 H GLU 63 -4.424 -11.640 4.569 457 HA GLU 63 HA GLU 63 -6.715 -12.134 2.842 458 1HB GLU 63 1HB GLU 63 -7.030 -12.278 5.857 459 2HB GLU 63 2HB GLU 63 -5.886 -13.348 5.072 460 1HG GLU 63 1HG GLU 63 -8.860 -13.186 4.263 461 2HG GLU 63 2HG GLU 63 -8.249 -14.293 5.481 462 H GLU 64 H GLU 64 -6.001 -9.623 5.199 463 HA GLU 64 HA GLU 64 -8.717 -8.526 5.515 464 1HB GLU 64 1HB GLU 64 -5.949 -7.497 6.232 465 2HB GLU 64 2HB GLU 64 -7.318 -6.406 6.309 466 1HG GLU 64 1HG GLU 64 -7.010 -7.295 8.536 467 2HG GLU 64 2HG GLU 64 -6.831 -8.944 7.963 468 H VAL 65 H VAL 65 -5.982 -7.830 3.380 469 HA VAL 65 HA VAL 65 -7.147 -5.354 2.188 470 HB VAL 65 HB VAL 65 -5.209 -5.888 0.399 471 1HG1 VAL 65 1HG1 VAL 65 -3.669 -4.475 1.772 472 2HG1 VAL 65 2HG1 VAL 65 -5.328 -3.852 1.844 473 3HG1 VAL 65 3HG1 VAL 65 -4.660 -4.755 3.225 474 1HG2 VAL 65 1HG2 VAL 65 -4.175 -7.407 2.892 475 2HG2 VAL 65 2HG2 VAL 65 -4.501 -8.112 1.290 476 3HG2 VAL 65 3HG2 VAL 65 -3.197 -6.932 1.482 477 H ASP 66 H ASP 66 -5.976 -8.130 0.300 478 HA ASP 66 HA ASP 66 -8.510 -8.047 -1.400 479 1HB ASP 66 1HB ASP 66 -6.168 -9.729 -2.296 480 2HB ASP 66 2HB ASP 66 -5.923 -7.997 -2.289 481 H GLU 67 H GLU 67 -9.399 -9.031 0.640 482 HA GLU 67 HA GLU 67 -9.036 -11.684 1.621 483 1HB GLU 67 1HB GLU 67 -10.726 -10.827 2.831 484 2HB GLU 67 2HB GLU 67 -11.325 -9.823 1.526 485 1HG GLU 67 1HG GLU 67 -12.848 -11.466 0.751 486 2HG GLU 67 2HG GLU 67 -11.887 -12.812 1.340 487 H ASP 68 H ASP 68 -10.458 -10.596 -1.413 488 HA ASP 68 HA ASP 68 -11.316 -13.375 -2.255 489 1HB ASP 68 1HB ASP 68 -12.080 -12.166 -4.409 490 2HB ASP 68 2HB ASP 68 -11.669 -10.658 -3.627 491 H GLY 69 H GLY 69 -9.131 -14.182 -2.149 492 1HA GLY 69 1HA GLY 69 -7.521 -15.317 -3.667 493 2HA GLY 69 2HA GLY 69 -7.830 -14.070 -4.879 494 H SER 70 H SER 70 -5.679 -13.680 -5.226 495 HA SER 70 HA SER 70 -4.342 -11.760 -3.303 496 1HB SER 70 1HB SER 70 -2.580 -14.035 -4.282 497 2HB SER 70 2HB SER 70 -2.354 -12.938 -2.917 498 HG SER 70 HG SER 70 -3.065 -15.146 -2.484 499 H GLY 71 H GLY 71 -4.723 -10.228 -4.902 500 1HA GLY 71 1HA GLY 71 -4.635 -9.230 -7.182 501 2HA GLY 71 2HA GLY 71 -3.661 -10.604 -7.714 502 H THR 72 H THR 72 -3.631 -7.414 -6.565 503 HA THR 72 HA THR 72 -0.632 -7.352 -6.098 504 HB THR 72 HB THR 72 -0.339 -5.424 -7.667 505 HG1 THR 72 HG1 THR 72 -1.977 -5.386 -9.349 506 1HG2 THR 72 1HG2 THR 72 -0.592 -6.785 -9.900 507 2HG2 THR 72 2HG2 THR 72 0.557 -7.386 -8.684 508 3HG2 THR 72 3HG2 THR 72 -1.039 -8.161 -8.866 509 H ILE 73 H ILE 73 -0.222 -4.687 -5.921 510 HA ILE 73 HA ILE 73 -2.321 -3.499 -4.115 511 HB ILE 73 HB ILE 73 -0.712 -4.883 -2.706 512 1HG1 ILE 73 1HG1 ILE 73 -2.303 -2.853 -2.027 513 2HG1 ILE 73 2HG1 ILE 73 -1.247 -3.636 -0.865 514 1HG2 ILE 73 1HG2 ILE 73 1.452 -3.955 -1.972 515 2HG2 ILE 73 2HG2 ILE 73 1.492 -4.180 -3.726 516 3HG2 ILE 73 3HG2 ILE 73 1.279 -2.549 -3.047 517 1HD1 ILE 73 1HD1 ILE 73 -0.018 -1.733 -0.469 518 2HD1 ILE 73 2HD1 ILE 73 0.116 -1.345 -2.198 519 3HD1 ILE 73 3HD1 ILE 73 -1.346 -0.875 -1.298 520 H ASP 74 H ASP 74 -2.261 -1.268 -3.981 521 HA ASP 74 HA ASP 74 -0.433 0.171 -5.980 522 1HB ASP 74 1HB ASP 74 -2.440 1.856 -6.129 523 2HB ASP 74 2HB ASP 74 -2.447 0.382 -7.069 524 H PHE 75 H PHE 75 -0.619 2.661 -5.487 525 HA PHE 75 HA PHE 75 0.793 3.087 -2.913 526 1HB PHE 75 1HB PHE 75 -0.232 5.284 -4.797 527 2HB PHE 75 2HB PHE 75 1.165 4.317 -5.192 528 HD1 PHE 75 HD1 PHE 75 0.750 4.992 -1.581 529 HD2 PHE 75 HD2 PHE 75 2.434 6.529 -5.231 530 HE1 PHE 75 HE1 PHE 75 1.974 6.705 -0.308 531 HE2 PHE 75 HE2 PHE 75 3.652 8.235 -3.937 532 HZ PHE 75 HZ PHE 75 3.424 8.328 -1.481 533 H GLU 76 H GLU 76 -2.474 3.500 -4.134 534 HA GLU 76 HA GLU 76 -3.536 5.337 -2.118 535 1HB GLU 76 1HB GLU 76 -5.812 4.088 -2.862 536 2HB GLU 76 2HB GLU 76 -4.794 3.491 -4.157 537 1HG GLU 76 1HG GLU 76 -4.828 6.501 -3.598 538 2HG GLU 76 2HG GLU 76 -4.459 5.666 -5.098 539 H GLU 77 H GLU 77 -4.305 1.870 -2.495 540 HA GLU 77 HA GLU 77 -5.255 1.300 0.178 541 1HB GLU 77 1HB GLU 77 -4.247 -1.129 -0.388 542 2HB GLU 77 2HB GLU 77 -4.085 -0.452 -1.996 543 1HG GLU 77 1HG GLU 77 -6.641 -0.998 -0.406 544 2HG GLU 77 2HG GLU 77 -6.676 0.232 -1.658 545 H PHE 78 H PHE 78 -2.011 1.620 -1.122 546 HA PHE 78 HA PHE 78 -0.464 0.325 0.971 547 1HB PHE 78 1HB PHE 78 0.187 2.372 -1.176 548 2HB PHE 78 2HB PHE 78 0.740 0.726 -1.014 549 HD1 PHE 78 HD1 PHE 78 2.081 3.788 -1.186 550 HD2 PHE 78 HD2 PHE 78 1.912 0.643 1.745 551 HE1 PHE 78 HE1 PHE 78 4.221 4.545 -0.234 552 HE2 PHE 78 HE2 PHE 78 4.069 1.394 2.661 553 HZ PHE 78 HZ PHE 78 5.234 3.332 1.666 554 H LEU 79 H LEU 79 -1.654 3.644 0.588 555 HA LEU 79 HA LEU 79 -0.419 4.784 3.046 556 1HB LEU 79 1HB LEU 79 -2.205 6.629 2.691 557 2HB LEU 79 2HB LEU 79 -2.724 5.756 1.266 558 HG LEU 79 HG LEU 79 -0.386 6.009 0.280 559 1HD1 LEU 79 1HD1 LEU 79 -0.645 8.419 -0.326 560 2HD1 LEU 79 2HD1 LEU 79 -2.215 7.596 -0.357 561 3HD1 LEU 79 3HD1 LEU 79 -1.799 8.659 1.010 562 1HD2 LEU 79 1HD2 LEU 79 0.119 7.847 2.715 563 2HD2 LEU 79 2HD2 LEU 79 0.958 6.316 2.362 564 3HD2 LEU 79 3HD2 LEU 79 1.176 7.705 1.287 565 H VAL 80 H VAL 80 -3.382 3.091 2.204 566 HA VAL 80 HA VAL 80 -5.018 3.700 4.528 567 HB VAL 80 HB VAL 80 -5.147 1.694 2.343 568 1HG1 VAL 80 1HG1 VAL 80 -6.825 0.202 3.447 569 2HG1 VAL 80 2HG1 VAL 80 -5.246 0.056 4.230 570 3HG1 VAL 80 3HG1 VAL 80 -6.533 1.000 5.014 571 1HG2 VAL 80 1HG2 VAL 80 -7.379 3.216 3.841 572 2HG2 VAL 80 2HG2 VAL 80 -6.585 3.769 2.348 573 3HG2 VAL 80 3HG2 VAL 80 -7.562 2.292 2.329 574 H MET 81 H MET 81 -2.479 1.326 3.925 575 HA MET 81 HA MET 81 -2.728 -0.260 6.388 576 1HB MET 81 1HB MET 81 -0.022 0.084 5.037 577 2HB MET 81 2HB MET 81 -0.705 -1.323 5.830 578 1HG MET 81 1HG MET 81 -0.540 -1.550 3.309 579 2HG MET 81 2HG MET 81 -1.714 -0.237 3.126 580 1HE MET 81 1HE MET 81 -0.980 -3.664 4.841 581 2HE MET 81 2HE MET 81 -1.993 -3.022 6.168 582 3HE MET 81 3HE MET 81 -2.602 -4.361 5.150 583 H MET 82 H MET 82 -0.229 2.143 5.498 584 HA MET 82 HA MET 82 1.113 2.421 7.991 585 1HB MET 82 1HB MET 82 0.767 4.302 5.639 586 2HB MET 82 2HB MET 82 1.399 4.982 7.127 587 1HG MET 82 1HG MET 82 3.151 4.147 5.418 588 2HG MET 82 2HG MET 82 3.376 3.597 7.086 589 1HE MET 82 1HE MET 82 4.935 1.035 5.683 590 2HE MET 82 2HE MET 82 4.473 1.785 7.239 591 3HE MET 82 3HE MET 82 3.927 0.127 6.854 592 H VAL 83 H VAL 83 -1.945 3.811 6.957 593 HA VAL 83 HA VAL 83 -2.323 5.735 9.152 594 HB VAL 83 HB VAL 83 -4.088 4.621 6.994 595 1HG1 VAL 83 1HG1 VAL 83 -3.798 7.516 8.012 596 2HG1 VAL 83 2HG1 VAL 83 -2.728 6.806 6.795 597 3HG1 VAL 83 3HG1 VAL 83 -4.466 6.967 6.453 598 1HG2 VAL 83 1HG2 VAL 83 -6.187 5.507 7.872 599 2HG2 VAL 83 2HG2 VAL 83 -5.549 4.407 9.116 600 3HG2 VAL 83 3HG2 VAL 83 -5.394 6.156 9.330 601 NH1 ARG 84 NH1 ARG 84 -8.506 -2.499 9.267 602 NH2 ARG 84 NH2 ARG 84 -9.164 -2.141 7.122 603 H ARG 84 H ARG 84 -3.660 2.463 8.551 604 HA ARG 84 HA ARG 84 -5.108 1.921 10.943 605 1HB ARG 84 1HB ARG 84 -3.750 0.244 8.888 606 2HB ARG 84 2HB ARG 84 -3.781 -0.518 10.472 607 1HG ARG 84 1HG ARG 84 -6.173 -0.531 10.611 608 2HG ARG 84 2HG ARG 84 -6.362 0.684 9.346 609 1HD ARG 84 1HD ARG 84 -5.051 -1.251 7.875 610 2HD ARG 84 2HD ARG 84 -5.827 -2.293 9.066 611 HE ARG 84 HE ARG 84 -7.298 -0.514 7.085 612 1HH1 ARG 84 1HH1 ARG 84 -9.330 -3.106 9.337 613 2HH1 ARG 84 2HH1 ARG 84 -7.843 -2.273 10.017 614 1HH2 ARG 84 1HH2 ARG 84 -8.969 -1.696 6.218 615 2HH2 ARG 84 2HH2 ARG 84 -9.979 -2.716 7.361 616 H GLN 85 H GLN 85 -1.593 1.668 10.406 617 HA GLN 85 HA GLN 85 -0.922 0.414 12.999 618 1HB GLN 85 1HB GLN 85 0.472 0.602 10.708 619 2HB GLN 85 2HB GLN 85 1.101 2.066 11.445 620 1HG GLN 85 1HG GLN 85 1.958 0.794 13.405 621 2HG GLN 85 2HG GLN 85 2.636 0.211 11.899 622 1HE2 GLN 85 1HE2 GLN 85 0.605 -2.375 14.306 623 2HE2 GLN 85 2HE2 GLN 85 0.832 -0.601 14.717 624 H MET 86 H MET 86 -0.435 3.722 11.734 625 HA MET 86 HA MET 86 0.762 4.996 14.000 626 1HB MET 86 1HB MET 86 -0.692 5.961 11.583 627 2HB MET 86 2HB MET 86 -0.851 7.042 12.955 628 1HG MET 86 1HG MET 86 1.566 6.454 11.281 629 2HG MET 86 2HG MET 86 1.903 6.525 13.018 630 1HE MET 86 1HE MET 86 3.311 8.835 11.235 631 2HE MET 86 2HE MET 86 2.963 10.160 12.386 632 3HE MET 86 3HE MET 86 3.379 8.533 13.000 633 H LYS 87 H LYS 87 -2.642 4.336 13.315 634 HA LYS 87 HA LYS 87 -3.821 5.840 15.587 635 1HB LYS 87 1HB LYS 87 -5.034 4.989 13.428 636 2HB LYS 87 2HB LYS 87 -5.132 3.426 14.212 637 1HG LYS 87 1HG LYS 87 -6.884 4.062 15.524 638 2HG LYS 87 2HG LYS 87 -7.062 5.367 14.367 639 1HD LYS 87 1HD LYS 87 -5.282 5.774 16.838 640 2HD LYS 87 2HD LYS 87 -6.041 6.981 15.813 641 1HE LYS 87 1HE LYS 87 -8.269 6.540 16.703 642 2HE LYS 87 2HE LYS 87 -7.742 5.079 17.540 643 1HZ LYS 87 1HZ LYS 87 -7.165 7.898 18.226 644 2HZ LYS 87 2HZ LYS 87 -7.770 6.697 19.186 645 3HZ LYS 87 3HZ LYS 87 -6.168 6.704 18.782 646 H GLU 88 H GLU 88 -3.208 2.358 14.991 647 HA GLU 88 HA GLU 88 -2.645 0.552 16.476 648 1HB GLU 88 1HB GLU 88 -1.306 2.690 17.548 649 2HB GLU 88 2HB GLU 88 -2.361 2.312 18.896 650 1HG GLU 88 1HG GLU 88 -1.401 -0.236 18.323 651 2HG GLU 88 2HG GLU 88 -0.048 0.731 17.762 652 H ASP 89 H ASP 89 -3.688 -0.741 18.018 653 HA ASP 89 HA ASP 89 -6.629 -0.086 18.354 654 1HB ASP 89 1HB ASP 89 -6.423 -2.668 19.308 655 2HB ASP 89 2HB ASP 89 -5.060 -2.645 18.214 656 H ALA 90 H ALA 90 -4.026 -1.526 20.346 657 HA ALA 90 HA ALA 90 -3.570 -1.463 22.716 658 1HB ALA 90 1HB ALA 90 -5.009 1.150 23.143 659 2HB ALA 90 2HB ALA 90 -3.344 0.689 23.550 660 3HB ALA 90 3HB ALA 90 -3.743 1.194 21.890 Start of MODEL 2 Raw file had 660 H/Q atoms Start of MODEL 2 1 1H ALA 1 1H ALA 1 -22.242 -1.404 5.617 2 2H ALA 1 2H ALA 1 -21.457 -2.064 6.950 3 3H ALA 1 3H ALA 1 -21.812 -0.421 6.912 4 HA ALA 1 HA ALA 1 -19.665 -1.921 5.687 5 1HB ALA 1 1HB ALA 1 -19.599 -0.854 3.604 6 2HB ALA 1 2HB ALA 1 -21.357 -0.964 3.814 7 3HB ALA 1 3HB ALA 1 -20.516 0.573 4.144 8 H SER 2 H SER 2 -18.076 -1.295 6.959 9 HA SER 2 HA SER 2 -18.029 1.441 8.292 10 1HB SER 2 1HB SER 2 -16.842 -1.246 8.933 11 2HB SER 2 2HB SER 2 -15.863 0.156 9.372 12 HG SER 2 HG SER 2 -17.559 -0.676 10.862 13 H MET 3 H MET 3 -17.553 1.131 5.443 14 HA MET 3 HA MET 3 -14.839 2.496 5.230 15 1HB MET 3 1HB MET 3 -14.100 1.123 3.325 16 2HB MET 3 2HB MET 3 -15.565 0.160 3.379 17 1HG MET 3 1HG MET 3 -13.202 0.110 5.322 18 2HG MET 3 2HG MET 3 -14.789 -0.458 5.866 19 1HE MET 3 1HE MET 3 -16.073 -2.925 4.423 20 2HE MET 3 2HE MET 3 -14.735 -3.958 5.007 21 3HE MET 3 3HE MET 3 -15.284 -2.571 5.992 22 H THR 4 H THR 4 -17.178 3.768 5.267 23 HA THR 4 HA THR 4 -18.697 4.263 2.873 24 HB THR 4 HB THR 4 -17.821 6.276 4.999 25 HG1 THR 4 HG1 THR 4 -19.887 4.460 4.653 26 1HG2 THR 4 1HG2 THR 4 -19.673 7.742 4.290 27 2HG2 THR 4 2HG2 THR 4 -18.522 7.572 2.946 28 3HG2 THR 4 3HG2 THR 4 -20.069 6.687 2.916 29 H ASP 5 H ASP 5 -15.414 5.147 3.753 30 HA ASP 5 HA ASP 5 -14.327 5.405 1.126 31 1HB ASP 5 1HB ASP 5 -15.989 7.723 1.685 32 2HB ASP 5 2HB ASP 5 -14.325 8.258 1.641 33 H GLN 6 H GLN 6 -13.186 4.257 2.981 34 HA GLN 6 HA GLN 6 -11.455 5.742 4.878 35 1HB GLN 6 1HB GLN 6 -10.072 3.495 4.761 36 2HB GLN 6 2HB GLN 6 -11.636 3.554 5.555 37 1HG GLN 6 1HG GLN 6 -11.443 2.679 2.626 38 2HG GLN 6 2HG GLN 6 -12.759 2.400 3.748 39 1HE2 GLN 6 1HE2 GLN 6 -10.907 -0.840 3.564 40 2HE2 GLN 6 2HE2 GLN 6 -11.784 0.267 2.392 41 H GLN 7 H GLN 7 -11.251 4.752 1.507 42 HA GLN 7 HA GLN 7 -8.458 4.953 0.896 43 1HB GLN 7 1HB GLN 7 -10.200 6.208 -1.189 44 2HB GLN 7 2HB GLN 7 -9.014 4.921 -1.311 45 1HG GLN 7 1HG GLN 7 -11.921 4.632 -0.358 46 2HG GLN 7 2HG GLN 7 -11.255 4.068 -1.877 47 1HE2 GLN 7 1HE2 GLN 7 -11.429 1.215 0.686 48 2HE2 GLN 7 2HE2 GLN 7 -12.621 2.479 0.096 49 H ALA 8 H ALA 8 -10.887 7.579 0.586 50 HA ALA 8 HA ALA 8 -8.876 9.692 0.049 51 1HB ALA 8 1HB ALA 8 -11.868 9.534 0.252 52 2HB ALA 8 2HB ALA 8 -11.160 11.119 0.616 53 3HB ALA 8 3HB ALA 8 -10.848 10.345 -0.959 54 H GLU 9 H GLU 9 -10.605 8.494 2.868 55 HA GLU 9 HA GLU 9 -10.107 10.632 4.806 56 1HB GLU 9 1HB GLU 9 -11.732 8.955 5.359 57 2HB GLU 9 2HB GLU 9 -10.588 7.640 5.177 58 1HG GLU 9 1HG GLU 9 -10.733 7.808 7.516 59 2HG GLU 9 2HG GLU 9 -9.285 8.751 7.207 60 H ALA 10 H ALA 10 -8.117 8.067 3.474 61 HA ALA 10 HA ALA 10 -6.039 7.847 5.511 62 1HB ALA 10 1HB ALA 10 -4.675 6.757 3.737 63 2HB ALA 10 2HB ALA 10 -6.337 6.138 3.747 64 3HB ALA 10 3HB ALA 10 -5.823 7.286 2.485 65 NH1 ARG 11 NH1 ARG 11 -7.046 9.930 -2.697 66 NH2 ARG 11 NH2 ARG 11 -5.463 10.766 -4.097 67 H ARG 11 H ARG 11 -6.001 9.590 2.381 68 HA ARG 11 HA ARG 11 -3.380 10.904 2.742 69 1HB ARG 11 1HB ARG 11 -4.227 12.430 0.817 70 2HB ARG 11 2HB ARG 11 -3.986 10.718 0.499 71 1HG ARG 11 1HG ARG 11 -6.309 10.223 0.387 72 2HG ARG 11 2HG ARG 11 -6.780 11.660 1.297 73 1HD ARG 11 1HD ARG 11 -6.035 13.132 -0.641 74 2HD ARG 11 2HD ARG 11 -7.370 12.055 -1.048 75 HE ARG 11 HE ARG 11 -4.498 11.700 -1.993 76 1HH1 ARG 11 1HH1 ARG 11 -7.316 9.331 -3.485 77 2HH1 ARG 11 2HH1 ARG 11 -7.495 9.974 -1.776 78 1HH2 ARG 11 1HH2 ARG 11 -4.604 11.318 -4.201 79 2HH2 ARG 11 2HH2 ARG 11 -5.947 10.237 -4.831 80 H ALA 12 H ALA 12 -6.723 11.767 3.463 81 HA ALA 12 HA ALA 12 -6.697 14.528 4.086 82 1HB ALA 12 1HB ALA 12 -8.429 14.083 5.815 83 2HB ALA 12 2HB ALA 12 -8.724 13.127 4.349 84 3HB ALA 12 3HB ALA 12 -8.045 12.344 5.797 85 H PHE 13 H PHE 13 -5.388 11.853 6.028 86 HA PHE 13 HA PHE 13 -4.343 13.770 8.150 87 1HB PHE 13 1HB PHE 13 -4.570 10.702 8.167 88 2HB PHE 13 2HB PHE 13 -5.671 11.813 8.938 89 HD1 PHE 13 HD1 PHE 13 -4.042 9.527 10.273 90 HD2 PHE 13 HD2 PHE 13 -3.188 13.727 9.874 91 HE1 PHE 13 HE1 PHE 13 -2.824 9.494 12.411 92 HE2 PHE 13 HE2 PHE 13 -1.982 13.675 12.017 93 HZ PHE 13 HZ PHE 13 -1.742 11.550 13.256 94 H LEU 14 H LEU 14 -3.139 14.002 5.717 95 HA LEU 14 HA LEU 14 -0.272 13.205 6.270 96 1HB LEU 14 1HB LEU 14 -1.744 12.311 3.723 97 2HB LEU 14 2HB LEU 14 0.001 12.385 3.845 98 HG LEU 14 HG LEU 14 -1.655 10.696 5.808 99 1HD1 LEU 14 1HD1 LEU 14 1.277 10.384 4.902 100 2HD1 LEU 14 2HD1 LEU 14 0.776 11.208 6.390 101 3HD1 LEU 14 3HD1 LEU 14 0.451 9.468 6.188 102 1HD2 LEU 14 1HD2 LEU 14 -1.386 8.722 4.365 103 2HD2 LEU 14 2HD2 LEU 14 -2.155 9.994 3.384 104 3HD2 LEU 14 3HD2 LEU 14 -0.433 9.645 3.176 105 H SER 15 H SER 15 1.115 14.692 5.526 106 HA SER 15 HA SER 15 0.082 17.354 4.633 107 1HB SER 15 1HB SER 15 1.805 17.706 6.116 108 2HB SER 15 2HB SER 15 2.717 16.279 5.617 109 HG SER 15 HG SER 15 2.362 18.606 4.028 110 H GLU 16 H GLU 16 0.862 18.455 2.752 111 HA GLU 16 HA GLU 16 0.649 16.919 0.258 112 1HB GLU 16 1HB GLU 16 1.010 19.815 0.957 113 2HB GLU 16 2HB GLU 16 1.600 19.343 -0.624 114 1HG GLU 16 1HG GLU 16 -0.816 18.218 -0.922 115 2HG GLU 16 2HG GLU 16 -1.271 19.228 0.440 116 H GLU 17 H GLU 17 3.315 18.244 2.126 117 HA GLU 17 HA GLU 17 5.436 17.681 0.064 118 1HB GLU 17 1HB GLU 17 6.967 18.783 1.393 119 2HB GLU 17 2HB GLU 17 5.480 19.631 1.766 120 1HG GLU 17 1HG GLU 17 5.312 18.634 3.971 121 2HG GLU 17 2HG GLU 17 6.440 17.347 3.581 122 H MET 18 H MET 18 4.102 16.268 3.002 123 HA MET 18 HA MET 18 6.127 14.210 3.523 124 1HB MET 18 1HB MET 18 4.747 14.572 5.375 125 2HB MET 18 2HB MET 18 3.272 14.651 4.429 126 1HG MET 18 1HG MET 18 3.402 12.119 4.058 127 2HG MET 18 2HG MET 18 4.824 12.077 5.113 128 1HE MET 18 1HE MET 18 3.066 13.969 8.347 129 2HE MET 18 2HE MET 18 4.593 13.869 7.422 130 3HE MET 18 3HE MET 18 3.275 14.933 6.851 131 H ILE 19 H ILE 19 3.289 14.394 1.448 132 HA ILE 19 HA ILE 19 2.902 11.628 0.695 133 HB ILE 19 HB ILE 19 2.339 14.217 -0.792 134 1HG1 ILE 19 1HG1 ILE 19 0.686 13.759 0.928 135 2HG1 ILE 19 2HG1 ILE 19 -0.065 13.396 -0.611 136 1HG2 ILE 19 1HG2 ILE 19 1.267 12.952 -2.669 137 2HG2 ILE 19 2HG2 ILE 19 2.990 12.587 -2.593 138 3HG2 ILE 19 3HG2 ILE 19 1.814 11.408 -1.971 139 1HD1 ILE 19 1HD1 ILE 19 0.973 11.265 1.348 140 2HD1 ILE 19 2HD1 ILE 19 -0.714 11.667 0.971 141 3HD1 ILE 19 3HD1 ILE 19 0.314 10.921 -0.275 142 H ALA 20 H ALA 20 5.036 14.129 -0.701 143 HA ALA 20 HA ALA 20 6.170 12.769 -2.928 144 1HB ALA 20 1HB ALA 20 8.313 14.209 -2.337 145 2HB ALA 20 2HB ALA 20 6.798 15.020 -2.779 146 3HB ALA 20 3HB ALA 20 7.287 14.919 -1.069 147 H GLU 21 H GLU 21 6.949 12.459 0.505 148 HA GLU 21 HA GLU 21 9.461 10.954 0.249 149 1HB GLU 21 1HB GLU 21 7.636 10.846 2.698 150 2HB GLU 21 2HB GLU 21 8.567 12.276 2.301 151 1HG GLU 21 1HG GLU 21 9.893 9.518 2.675 152 2HG GLU 21 2HG GLU 21 9.582 10.602 4.020 153 H PHE 22 H PHE 22 6.070 10.018 0.772 154 HA PHE 22 HA PHE 22 6.441 7.148 1.148 155 1HB PHE 22 1HB PHE 22 3.994 8.701 0.126 156 2HB PHE 22 2HB PHE 22 3.969 6.979 0.402 157 HD1 PHE 22 HD1 PHE 22 4.563 6.150 2.863 158 HD2 PHE 22 HD2 PHE 22 3.591 10.236 1.923 159 HE1 PHE 22 HE1 PHE 22 4.029 6.577 5.225 160 HE2 PHE 22 HE2 PHE 22 3.070 10.646 4.293 161 HZ PHE 22 HZ PHE 22 3.293 8.824 5.948 162 H LYS 23 H LYS 23 6.019 9.188 -1.704 163 HA LYS 23 HA LYS 23 5.654 7.135 -3.766 164 1HB LYS 23 1HB LYS 23 7.164 9.616 -4.564 165 2HB LYS 23 2HB LYS 23 5.816 8.823 -5.350 166 1HG LYS 23 1HG LYS 23 4.370 9.750 -3.329 167 2HG LYS 23 2HG LYS 23 5.749 10.776 -2.988 168 1HD LYS 23 1HD LYS 23 4.393 12.187 -4.327 169 2HD LYS 23 2HD LYS 23 5.580 11.580 -5.470 170 1HE LYS 23 1HE LYS 23 3.682 9.648 -5.865 171 2HE LYS 23 2HE LYS 23 2.613 10.947 -5.331 172 1HZ LYS 23 1HZ LYS 23 4.641 11.526 -7.403 173 2HZ LYS 23 2HZ LYS 23 3.263 10.717 -7.824 174 3HZ LYS 23 3HZ LYS 23 3.165 12.229 -7.165 175 H ALA 24 H ALA 24 8.507 8.697 -2.337 176 HA ALA 24 HA ALA 24 10.600 7.800 -4.107 177 1HB ALA 24 1HB ALA 24 12.166 8.200 -2.217 178 2HB ALA 24 2HB ALA 24 10.983 9.513 -2.359 179 3HB ALA 24 3HB ALA 24 10.809 8.295 -1.070 180 H ALA 25 H ALA 25 9.444 6.309 -1.064 181 HA ALA 25 HA ALA 25 11.181 3.959 -1.103 182 1HB ALA 25 1HB ALA 25 9.698 3.063 0.683 183 2HB ALA 25 2HB ALA 25 10.106 4.763 0.980 184 3HB ALA 25 3HB ALA 25 8.491 4.332 0.362 185 H PHE 26 H PHE 26 8.005 4.641 -2.457 186 HA PHE 26 HA PHE 26 7.151 1.903 -3.100 187 1HB PHE 26 1HB PHE 26 6.259 4.383 -4.664 188 2HB PHE 26 2HB PHE 26 5.745 4.135 -3.016 189 HD1 PHE 26 HD1 PHE 26 3.701 2.944 -2.676 190 HD2 PHE 26 HD2 PHE 26 5.934 2.156 -6.268 191 HE1 PHE 26 HE1 PHE 26 1.841 1.588 -3.548 192 HE2 PHE 26 HE2 PHE 26 4.065 0.801 -7.122 193 HZ PHE 26 HZ PHE 26 2.038 0.477 -5.747 194 H ASP 27 H ASP 27 9.119 4.339 -4.713 195 HA ASP 27 HA ASP 27 9.246 3.004 -7.361 196 1HB ASP 27 1HB ASP 27 11.134 5.195 -6.328 197 2HB ASP 27 2HB ASP 27 10.932 4.682 -7.988 198 H MET 28 H MET 28 11.087 2.900 -4.390 199 HA MET 28 HA MET 28 13.661 1.953 -5.134 200 1HB MET 28 1HB MET 28 13.564 0.491 -2.949 201 2HB MET 28 2HB MET 28 11.971 1.184 -2.707 202 1HG MET 28 1HG MET 28 13.127 3.543 -2.908 203 2HG MET 28 2HG MET 28 13.386 2.601 -1.431 204 1HE MET 28 1HE MET 28 16.991 1.226 -1.678 205 2HE MET 28 2HE MET 28 15.903 2.043 -0.518 206 3HE MET 28 3HE MET 28 15.320 0.627 -1.439 207 H PHE 29 H PHE 29 10.630 0.123 -4.896 208 HA PHE 29 HA PHE 29 11.961 -2.469 -5.807 209 1HB PHE 29 1HB PHE 29 9.611 -3.470 -5.452 210 2HB PHE 29 2HB PHE 29 9.093 -1.926 -4.832 211 HD1 PHE 29 HD1 PHE 29 10.961 -0.930 -2.936 212 HD2 PHE 29 HD2 PHE 29 10.038 -5.060 -3.727 213 HE1 PHE 29 HE1 PHE 29 11.690 -1.541 -0.666 214 HE2 PHE 29 HE2 PHE 29 10.776 -5.648 -1.455 215 HZ PHE 29 HZ PHE 29 11.596 -3.896 0.078 216 H ASP 30 H ASP 30 9.604 -0.012 -6.751 217 HA ASP 30 HA ASP 30 9.073 -1.322 -9.430 218 1HB ASP 30 1HB ASP 30 7.277 -0.092 -7.895 219 2HB ASP 30 2HB ASP 30 7.895 1.370 -8.628 220 H ALA 31 H ALA 31 11.172 -1.149 -10.258 221 HA ALA 31 HA ALA 31 12.484 1.537 -10.682 222 1HB ALA 31 1HB ALA 31 14.362 0.203 -11.649 223 2HB ALA 31 2HB ALA 31 13.885 -0.404 -10.051 224 3HB ALA 31 3HB ALA 31 13.409 -1.294 -11.521 225 H ASP 32 H ASP 32 9.857 0.658 -12.014 226 HA ASP 32 HA ASP 32 10.620 1.117 -14.936 227 1HB ASP 32 1HB ASP 32 8.284 -0.286 -13.653 228 2HB ASP 32 2HB ASP 32 7.908 0.676 -15.063 229 H GLY 33 H GLY 33 8.399 2.206 -12.359 230 1HA GLY 33 1HA GLY 33 7.145 4.497 -13.626 231 2HA GLY 33 2HA GLY 33 8.695 5.076 -13.010 232 H GLY 34 H GLY 34 5.855 3.179 -11.972 233 1HA GLY 34 1HA GLY 34 5.835 4.621 -9.270 234 2HA GLY 34 2HA GLY 34 5.874 2.855 -9.271 235 H GLY 35 H GLY 35 4.076 1.711 -9.610 236 1HA GLY 35 1HA GLY 35 1.405 3.178 -9.839 237 2HA GLY 35 2HA GLY 35 1.747 1.941 -11.052 238 H ASP 36 H ASP 36 2.983 -0.025 -9.701 239 HA ASP 36 HA ASP 36 1.395 -0.877 -7.276 240 1HB ASP 36 1HB ASP 36 0.375 -2.864 -8.279 241 2HB ASP 36 2HB ASP 36 -0.214 -1.406 -9.043 242 H ILE 37 H ILE 37 2.279 -2.658 -6.252 243 HA ILE 37 HA ILE 37 4.854 -3.908 -7.315 244 HB ILE 37 HB ILE 37 6.056 -3.578 -5.194 245 1HG1 ILE 37 1HG1 ILE 37 4.532 -1.247 -4.157 246 2HG1 ILE 37 2HG1 ILE 37 3.559 -2.700 -4.087 247 1HG2 ILE 37 1HG2 ILE 37 6.755 -1.214 -5.597 248 2HG2 ILE 37 2HG2 ILE 37 6.464 -2.035 -7.137 249 3HG2 ILE 37 3HG2 ILE 37 5.259 -0.887 -6.505 250 1HD1 ILE 37 1HD1 ILE 37 6.308 -2.400 -2.747 251 2HD1 ILE 37 2HD1 ILE 37 4.716 -2.466 -1.962 252 3HD1 ILE 37 3HD1 ILE 37 5.355 -3.908 -2.786 253 H SER 38 H SER 38 5.398 -5.837 -6.056 254 HA SER 38 HA SER 38 3.207 -7.716 -5.735 255 1HB SER 38 1HB SER 38 5.625 -8.383 -4.134 256 2HB SER 38 2HB SER 38 5.992 -7.906 -5.793 257 HG SER 38 HG SER 38 3.835 -9.636 -5.332 258 H THR 39 H THR 39 2.124 -8.467 -3.982 259 HA THR 39 HA THR 39 1.705 -6.622 -1.671 260 HB THR 39 HB THR 39 -0.323 -7.480 -2.317 261 HG1 THR 39 HG1 THR 39 -1.008 -8.727 -0.662 262 1HG2 THR 39 1HG2 THR 39 -0.919 -9.801 -2.855 263 2HG2 THR 39 2HG2 THR 39 0.462 -9.320 -3.867 264 3HG2 THR 39 3HG2 THR 39 0.714 -10.379 -2.455 265 H LYS 40 H LYS 40 3.334 -9.671 -2.308 266 HA LYS 40 HA LYS 40 3.761 -10.600 0.434 267 1HB LYS 40 1HB LYS 40 4.443 -11.532 -2.172 268 2HB LYS 40 2HB LYS 40 5.993 -11.305 -1.389 269 1HG LYS 40 1HG LYS 40 5.129 -12.748 0.563 270 2HG LYS 40 2HG LYS 40 3.672 -13.049 -0.363 271 1HD LYS 40 1HD LYS 40 6.358 -14.308 -0.610 272 2HD LYS 40 2HD LYS 40 4.773 -14.910 -1.069 273 1HE LYS 40 1HE LYS 40 5.647 -14.777 -3.199 274 2HE LYS 40 2HE LYS 40 5.038 -13.123 -3.114 275 1HZ LYS 40 1HZ LYS 40 7.467 -13.538 -3.816 276 2HZ LYS 40 2HZ LYS 40 7.179 -12.300 -2.761 277 3HZ LYS 40 3HZ LYS 40 7.793 -13.730 -2.207 278 H GLU 41 H GLU 41 5.466 -8.354 -1.679 279 HA GLU 41 HA GLU 41 7.806 -8.010 0.189 280 1HB GLU 41 1HB GLU 41 7.301 -6.428 -2.377 281 2HB GLU 41 2HB GLU 41 8.809 -6.602 -1.502 282 1HG GLU 41 1HG GLU 41 8.772 -9.123 -2.072 283 2HG GLU 41 2HG GLU 41 7.347 -8.831 -3.055 284 H LEU 42 H LEU 42 4.909 -6.297 -0.858 285 HA LEU 42 HA LEU 42 5.103 -3.667 -0.034 286 1HB LEU 42 1HB LEU 42 2.828 -5.648 0.120 287 2HB LEU 42 2HB LEU 42 2.997 -4.206 -0.857 288 HG LEU 42 HG LEU 42 2.829 -3.431 1.980 289 1HD1 LEU 42 1HD1 LEU 42 0.407 -5.065 0.995 290 2HD1 LEU 42 2HD1 LEU 42 1.594 -5.674 2.159 291 3HD1 LEU 42 3HD1 LEU 42 0.594 -4.259 2.573 292 1HD2 LEU 42 1HD2 LEU 42 0.999 -1.978 1.185 293 2HD2 LEU 42 2HD2 LEU 42 2.288 -1.965 -0.044 294 3HD2 LEU 42 3HD2 LEU 42 0.825 -2.928 -0.313 295 H GLY 43 H GLY 43 4.627 -6.460 2.115 296 1HA GLY 43 1HA GLY 43 4.489 -5.251 4.747 297 2HA GLY 43 2HA GLY 43 5.235 -6.819 4.422 298 H THR 44 H THR 44 7.442 -6.685 3.333 299 HA THR 44 HA THR 44 9.449 -5.746 4.979 300 HB THR 44 HB THR 44 9.516 -6.201 1.986 301 HG1 THR 44 HG1 THR 44 10.155 -7.488 4.334 302 1HG2 THR 44 1HG2 THR 44 12.010 -6.036 1.992 303 2HG2 THR 44 2HG2 THR 44 11.262 -4.449 2.269 304 3HG2 THR 44 3HG2 THR 44 11.975 -5.346 3.634 305 H VAL 45 H VAL 45 7.672 -3.854 2.630 306 HA VAL 45 HA VAL 45 9.427 -1.533 2.384 307 HB VAL 45 HB VAL 45 6.387 -1.463 2.051 308 1HG1 VAL 45 1HG1 VAL 45 6.830 0.387 0.437 309 2HG1 VAL 45 2HG1 VAL 45 7.451 0.807 2.038 310 3HG1 VAL 45 3HG1 VAL 45 8.580 0.292 0.765 311 1HG2 VAL 45 1HG2 VAL 45 8.478 -2.224 -0.096 312 2HG2 VAL 45 2HG2 VAL 45 7.269 -3.320 0.612 313 3HG2 VAL 45 3HG2 VAL 45 6.738 -1.953 -0.378 314 H MET 46 H MET 46 6.460 -2.013 4.339 315 HA MET 46 HA MET 46 6.497 0.478 5.807 316 1HB MET 46 1HB MET 46 4.548 -1.160 5.701 317 2HB MET 46 2HB MET 46 4.845 -0.411 7.259 318 1HG MET 46 1HG MET 46 6.281 -2.710 7.678 319 2HG MET 46 2HG MET 46 5.151 -3.315 6.456 320 1HE MET 46 1HE MET 46 2.155 -4.179 8.078 321 2HE MET 46 2HE MET 46 3.558 -4.549 7.033 322 3HE MET 46 3HE MET 46 3.588 -5.011 8.760 323 NH1 ARG 47 NH1 ARG 47 13.820 -6.837 8.791 324 NH2 ARG 47 NH2 ARG 47 15.264 -5.741 10.160 325 H ARG 47 H ARG 47 8.164 -2.579 6.342 326 HA ARG 47 HA ARG 47 9.075 -2.086 9.122 327 1HB ARG 47 1HB ARG 47 8.859 -4.391 8.096 328 2HB ARG 47 2HB ARG 47 10.211 -4.030 7.033 329 1HG ARG 47 1HG ARG 47 10.743 -3.642 9.986 330 2HG ARG 47 2HG ARG 47 10.496 -5.304 9.446 331 1HD ARG 47 1HD ARG 47 12.310 -5.056 7.720 332 2HD ARG 47 2HD ARG 47 12.542 -3.368 8.169 333 HE ARG 47 HE ARG 47 13.217 -4.291 10.543 334 1HH1 ARG 47 1HH1 ARG 47 15.910 -6.515 9.968 335 2HH1 ARG 47 2HH1 ARG 47 15.426 -4.947 10.789 336 1HH2 ARG 47 1HH2 ARG 47 12.965 -6.798 8.227 337 2HH2 ARG 47 2HH2 ARG 47 14.481 -7.620 8.852 338 H MET 48 H MET 48 10.395 -1.518 5.895 339 HA MET 48 HA MET 48 13.069 -0.553 6.912 340 1HB MET 48 1HB MET 48 12.670 -1.897 4.702 341 2HB MET 48 2HB MET 48 12.088 -0.390 4.014 342 1HG MET 48 1HG MET 48 14.874 -0.554 5.314 343 2HG MET 48 2HG MET 48 14.255 0.691 4.217 344 1HE MET 48 1HE MET 48 15.588 0.914 2.532 345 2HE MET 48 2HE MET 48 16.909 -0.289 2.452 346 3HE MET 48 3HE MET 48 15.732 -0.168 1.111 347 H LEU 49 H LEU 49 10.230 0.808 7.260 348 HA LEU 49 HA LEU 49 11.083 3.644 6.466 349 1HB LEU 49 1HB LEU 49 8.337 2.424 7.080 350 2HB LEU 49 2HB LEU 49 8.599 4.153 7.151 351 HG LEU 49 HG LEU 49 9.305 2.565 4.616 352 1HD1 LEU 49 1HD1 LEU 49 7.027 3.051 3.710 353 2HD1 LEU 49 2HD1 LEU 49 6.921 2.017 5.146 354 3HD1 LEU 49 3HD1 LEU 49 6.524 3.749 5.270 355 1HD2 LEU 49 1HD2 LEU 49 8.528 5.532 5.030 356 2HD2 LEU 49 2HD2 LEU 49 10.161 4.913 4.682 357 3HD2 LEU 49 3HD2 LEU 49 8.887 4.761 3.464 358 H GLY 50 H GLY 50 10.085 1.482 9.071 359 1HA GLY 50 1HA GLY 50 11.675 2.150 11.219 360 2HA GLY 50 2HA GLY 50 10.640 3.583 11.206 361 H GLN 51 H GLN 51 10.091 0.082 10.771 362 HA GLN 51 HA GLN 51 8.139 0.033 13.130 363 1HB GLN 51 1HB GLN 51 7.480 -1.083 10.338 364 2HB GLN 51 2HB GLN 51 6.547 -1.379 11.794 365 1HG GLN 51 1HG GLN 51 6.933 1.532 11.364 366 2HG GLN 51 2HG GLN 51 6.223 0.773 9.954 367 1HE2 GLN 51 1HE2 GLN 51 3.424 1.763 12.306 368 2HE2 GLN 51 2HE2 GLN 51 4.845 2.633 11.536 369 H ASN 52 H ASN 52 7.790 -2.126 13.915 370 HA ASN 52 HA ASN 52 10.045 -4.074 13.279 371 1HB ASN 52 1HB ASN 52 10.435 -2.560 15.341 372 2HB ASN 52 2HB ASN 52 9.172 -3.456 16.157 373 1HD2 ASN 52 1HD2 ASN 52 12.832 -5.302 15.307 374 2HD2 ASN 52 2HD2 ASN 52 12.276 -3.820 14.380 375 HA PRO 53 HA PRO 53 5.621 -6.065 14.033 376 1HB PRO 53 1HB PRO 53 4.750 -6.666 11.492 377 2HB PRO 53 2HB PRO 53 4.546 -5.080 12.252 378 1HG PRO 53 1HG PRO 53 6.701 -5.921 10.251 379 2HG PRO 53 2HG PRO 53 5.697 -4.453 10.225 380 1HD PRO 53 1HD PRO 53 8.292 -4.504 11.249 381 2HD PRO 53 2HD PRO 53 7.048 -3.383 11.882 382 H THR 54 H THR 54 4.923 -8.346 13.208 383 HA THR 54 HA THR 54 7.369 -10.167 13.081 384 HB THR 54 HB THR 54 6.412 -11.640 14.463 385 HG1 THR 54 HG1 THR 54 4.064 -11.989 14.395 386 1HG2 THR 54 1HG2 THR 54 4.781 -10.785 16.115 387 2HG2 THR 54 2HG2 THR 54 5.986 -9.527 15.756 388 3HG2 THR 54 3HG2 THR 54 4.352 -9.423 15.053 389 H LYS 55 H LYS 55 6.804 -12.326 11.969 390 HA LYS 55 HA LYS 55 6.140 -11.750 9.108 391 1HB LYS 55 1HB LYS 55 6.553 -14.601 10.036 392 2HB LYS 55 2HB LYS 55 7.092 -13.818 8.566 393 1HG LYS 55 1HG LYS 55 8.649 -12.439 10.350 394 2HG LYS 55 2HG LYS 55 8.384 -13.880 11.311 395 1HD LYS 55 1HD LYS 55 9.579 -15.297 9.792 396 2HD LYS 55 2HD LYS 55 9.296 -14.225 8.430 397 1HE LYS 55 1HE LYS 55 11.031 -12.706 9.027 398 2HE LYS 55 2HE LYS 55 11.065 -13.213 10.717 399 1HZ LYS 55 1HZ LYS 55 11.833 -15.471 9.716 400 2HZ LYS 55 2HZ LYS 55 12.189 -14.598 8.359 401 3HZ LYS 55 3HZ LYS 55 12.918 -14.228 9.794 402 H GLU 56 H GLU 56 4.726 -13.451 11.860 403 HA GLU 56 HA GLU 56 2.576 -14.865 10.458 404 1HB GLU 56 1HB GLU 56 3.570 -15.129 12.934 405 2HB GLU 56 2HB GLU 56 1.998 -15.737 12.457 406 1HG GLU 56 1HG GLU 56 0.838 -13.846 13.536 407 2HG GLU 56 2HG GLU 56 2.343 -12.977 13.783 408 H GLU 57 H GLU 57 2.868 -11.669 11.922 409 HA GLU 57 HA GLU 57 0.000 -10.908 11.824 410 1HB GLU 57 1HB GLU 57 2.403 -9.015 11.971 411 2HB GLU 57 2HB GLU 57 0.732 -8.613 12.312 412 1HG GLU 57 1HG GLU 57 2.276 -10.727 13.943 413 2HG GLU 57 2HG GLU 57 0.716 -10.025 14.339 414 H LEU 58 H LEU 58 2.828 -10.502 9.724 415 HA LEU 58 HA LEU 58 1.639 -8.775 7.662 416 1HB LEU 58 1HB LEU 58 4.126 -9.210 7.968 417 2HB LEU 58 2HB LEU 58 3.906 -10.826 7.332 418 HG LEU 58 HG LEU 58 4.604 -8.569 5.847 419 1HD1 LEU 58 1HD1 LEU 58 4.275 -10.026 3.823 420 2HD1 LEU 58 2HD1 LEU 58 5.034 -10.921 5.147 421 3HD1 LEU 58 3HD1 LEU 58 3.307 -11.168 4.790 422 1HD2 LEU 58 1HD2 LEU 58 1.624 -9.105 5.215 423 2HD2 LEU 58 2HD2 LEU 58 2.286 -7.613 5.928 424 3HD2 LEU 58 3HD2 LEU 58 2.726 -8.070 4.272 425 H ASP 59 H ASP 59 1.724 -12.248 8.247 426 HA ASP 59 HA ASP 59 0.508 -13.154 5.731 427 1HB ASP 59 1HB ASP 59 0.358 -14.655 8.404 428 2HB ASP 59 2HB ASP 59 1.798 -14.613 7.412 429 H ALA 60 H ALA 60 -0.757 -11.987 8.797 430 HA ALA 60 HA ALA 60 -3.565 -12.786 8.483 431 1HB ALA 60 1HB ALA 60 -4.021 -11.189 10.338 432 2HB ALA 60 2HB ALA 60 -2.615 -12.211 10.693 433 3HB ALA 60 3HB ALA 60 -2.380 -10.514 10.203 434 H ILE 61 H ILE 61 -2.210 -9.470 8.375 435 HA ILE 61 HA ILE 61 -4.345 -8.067 7.184 436 HB ILE 61 HB ILE 61 -1.370 -7.542 7.155 437 1HG1 ILE 61 1HG1 ILE 61 -3.828 -6.283 8.463 438 2HG1 ILE 61 2HG1 ILE 61 -2.467 -5.240 8.111 439 1HG2 ILE 61 1HG2 ILE 61 -1.664 -5.409 5.870 440 2HG2 ILE 61 2HG2 ILE 61 -2.067 -6.800 4.866 441 3HG2 ILE 61 3HG2 ILE 61 -3.372 -5.810 5.560 442 1HD1 ILE 61 1HD1 ILE 61 -0.924 -6.571 9.523 443 2HD1 ILE 61 2HD1 ILE 61 -2.370 -6.099 10.442 444 3HD1 ILE 61 3HD1 ILE 61 -2.212 -7.766 9.842 445 H ILE 62 H ILE 62 -1.859 -10.102 5.736 446 HA ILE 62 HA ILE 62 -2.218 -9.421 2.900 447 HB ILE 62 HB ILE 62 -0.870 -11.671 4.374 448 1HG1 ILE 62 1HG1 ILE 62 0.141 -10.032 1.962 449 2HG1 ILE 62 2HG1 ILE 62 0.260 -9.441 3.606 450 1HG2 ILE 62 1HG2 ILE 62 -0.441 -12.995 2.287 451 2HG2 ILE 62 2HG2 ILE 62 -2.166 -12.958 2.646 452 3HG2 ILE 62 3HG2 ILE 62 -1.514 -11.918 1.360 453 1HD1 ILE 62 1HD1 ILE 62 1.658 -11.982 2.580 454 2HD1 ILE 62 2HD1 ILE 62 2.400 -10.424 3.002 455 3HD1 ILE 62 3HD1 ILE 62 1.669 -11.427 4.277 456 H GLU 63 H GLU 63 -3.582 -11.985 4.972 457 HA GLU 63 HA GLU 63 -5.305 -13.257 3.005 458 1HB GLU 63 1HB GLU 63 -4.643 -14.005 5.454 459 2HB GLU 63 2HB GLU 63 -6.091 -13.149 5.943 460 1HG GLU 63 1HG GLU 63 -7.552 -14.667 4.776 461 2HG GLU 63 2HG GLU 63 -6.278 -15.247 3.717 462 H GLU 64 H GLU 64 -5.704 -10.399 5.013 463 HA GLU 64 HA GLU 64 -8.614 -10.071 4.827 464 1HB GLU 64 1HB GLU 64 -7.675 -8.898 6.603 465 2HB GLU 64 2HB GLU 64 -6.335 -8.268 5.666 466 1HG GLU 64 1HG GLU 64 -9.111 -7.283 4.898 467 2HG GLU 64 2HG GLU 64 -7.573 -6.440 4.830 468 H VAL 65 H VAL 65 -5.880 -8.829 2.925 469 HA VAL 65 HA VAL 65 -7.543 -7.091 1.157 470 HB VAL 65 HB VAL 65 -5.214 -6.472 1.716 471 1HG1 VAL 65 1HG1 VAL 65 -3.249 -7.568 0.623 472 2HG1 VAL 65 2HG1 VAL 65 -4.097 -8.708 1.686 473 3HG1 VAL 65 3HG1 VAL 65 -4.303 -8.822 -0.078 474 1HG2 VAL 65 1HG2 VAL 65 -5.642 -6.818 -1.332 475 2HG2 VAL 65 2HG2 VAL 65 -6.211 -5.455 -0.337 476 3HG2 VAL 65 3HG2 VAL 65 -4.475 -5.714 -0.562 477 H ASP 66 H ASP 66 -6.234 -10.360 1.124 478 HA ASP 66 HA ASP 66 -7.059 -10.810 -1.774 479 1HB ASP 66 1HB ASP 66 -4.700 -11.489 -0.814 480 2HB ASP 66 2HB ASP 66 -5.530 -12.845 -0.088 481 H GLU 67 H GLU 67 -8.993 -10.437 0.266 482 HA GLU 67 HA GLU 67 -10.355 -12.711 1.343 483 1HB GLU 67 1HB GLU 67 -12.284 -11.473 1.499 484 2HB GLU 67 2HB GLU 67 -11.077 -10.208 1.388 485 1HG GLU 67 1HG GLU 67 -11.765 -9.526 -0.780 486 2HG GLU 67 2HG GLU 67 -12.398 -11.106 -1.209 487 H ASP 68 H ASP 68 -10.339 -11.492 -1.998 488 HA ASP 68 HA ASP 68 -11.504 -14.140 -2.993 489 1HB ASP 68 1HB ASP 68 -11.766 -12.676 -5.224 490 2HB ASP 68 2HB ASP 68 -11.687 -11.323 -4.120 491 H GLY 69 H GLY 69 -9.691 -11.761 -4.869 492 1HA GLY 69 1HA GLY 69 -7.963 -13.576 -6.302 493 2HA GLY 69 2HA GLY 69 -7.078 -13.179 -4.825 494 H SER 70 H SER 70 -6.535 -11.007 -4.376 495 HA SER 70 HA SER 70 -6.806 -8.820 -6.419 496 1HB SER 70 1HB SER 70 -5.493 -9.039 -3.686 497 2HB SER 70 2HB SER 70 -6.782 -7.965 -4.235 498 HG SER 70 HG SER 70 -5.342 -6.761 -5.332 499 H GLY 71 H GLY 71 -3.800 -9.827 -4.822 500 1HA GLY 71 1HA GLY 71 -2.488 -10.673 -7.440 501 2HA GLY 71 2HA GLY 71 -1.822 -10.935 -5.825 502 H THR 72 H THR 72 -3.169 -7.865 -6.869 503 HA THR 72 HA THR 72 -0.379 -6.632 -6.944 504 HB THR 72 HB THR 72 -0.899 -6.434 -9.145 505 HG1 THR 72 HG1 THR 72 -2.062 -4.175 -9.151 506 1HG2 THR 72 1HG2 THR 72 -2.945 -6.166 -10.286 507 2HG2 THR 72 2HG2 THR 72 -3.431 -7.201 -8.926 508 3HG2 THR 72 3HG2 THR 72 -3.785 -5.454 -8.890 509 H ILE 73 H ILE 73 0.003 -4.974 -5.659 510 HA ILE 73 HA ILE 73 -2.291 -3.693 -4.124 511 HB ILE 73 HB ILE 73 0.446 -4.495 -3.248 512 1HG1 ILE 73 1HG1 ILE 73 -0.631 -5.457 -1.446 513 2HG1 ILE 73 2HG1 ILE 73 -1.917 -5.503 -2.638 514 1HG2 ILE 73 1HG2 ILE 73 0.686 -2.853 -1.423 515 2HG2 ILE 73 2HG2 ILE 73 0.644 -1.989 -2.967 516 3HG2 ILE 73 3HG2 ILE 73 -0.794 -2.000 -1.918 517 1HD1 ILE 73 1HD1 ILE 73 -1.806 -3.129 -0.701 518 2HD1 ILE 73 2HD1 ILE 73 -3.187 -3.780 -1.609 519 3HD1 ILE 73 3HD1 ILE 73 -2.535 -4.687 -0.224 520 H ASP 74 H ASP 74 -2.616 -1.571 -4.248 521 HA ASP 74 HA ASP 74 -0.938 0.016 -6.249 522 1HB ASP 74 1HB ASP 74 -3.142 1.550 -6.146 523 2HB ASP 74 2HB ASP 74 -2.975 0.189 -7.230 524 H PHE 75 H PHE 75 -1.206 2.484 -5.794 525 HA PHE 75 HA PHE 75 0.301 3.006 -3.288 526 1HB PHE 75 1HB PHE 75 -0.763 5.201 -5.131 527 2HB PHE 75 2HB PHE 75 0.516 4.152 -5.682 528 HD1 PHE 75 HD1 PHE 75 2.821 4.509 -4.895 529 HD2 PHE 75 HD2 PHE 75 -0.407 6.579 -2.941 530 HE1 PHE 75 HE1 PHE 75 4.427 6.065 -3.866 531 HE2 PHE 75 HE2 PHE 75 1.221 8.092 -1.880 532 HZ PHE 75 HZ PHE 75 3.635 7.832 -2.329 533 H GLU 76 H GLU 76 -3.000 3.384 -4.425 534 HA GLU 76 HA GLU 76 -3.964 5.296 -2.406 535 1HB GLU 76 1HB GLU 76 -5.008 4.303 -4.756 536 2HB GLU 76 2HB GLU 76 -5.837 5.335 -3.608 537 1HG GLU 76 1HG GLU 76 -6.625 3.049 -2.466 538 2HG GLU 76 2HG GLU 76 -6.119 2.303 -3.972 539 H GLU 77 H GLU 77 -4.705 1.818 -2.789 540 HA GLU 77 HA GLU 77 -5.717 1.249 -0.118 541 1HB GLU 77 1HB GLU 77 -4.126 -0.858 -1.618 542 2HB GLU 77 2HB GLU 77 -5.623 -0.265 -2.309 543 1HG GLU 77 1HG GLU 77 -5.930 -2.376 -0.977 544 2HG GLU 77 2HG GLU 77 -5.342 -1.577 0.471 545 H PHE 78 H PHE 78 -2.472 1.603 -1.407 546 HA PHE 78 HA PHE 78 -0.912 0.350 0.700 547 1HB PHE 78 1HB PHE 78 -0.279 2.426 -1.433 548 2HB PHE 78 2HB PHE 78 0.265 0.774 -1.307 549 HD1 PHE 78 HD1 PHE 78 2.005 0.234 0.632 550 HD2 PHE 78 HD2 PHE 78 1.064 4.245 -0.610 551 HE1 PHE 78 HE1 PHE 78 4.061 1.060 1.705 552 HE2 PHE 78 HE2 PHE 78 3.128 5.051 0.461 553 HZ PHE 78 HZ PHE 78 4.611 3.469 1.646 554 H LEU 79 H LEU 79 -2.021 3.707 0.254 555 HA LEU 79 HA LEU 79 -0.864 4.824 2.754 556 1HB LEU 79 1HB LEU 79 -2.530 6.728 2.339 557 2HB LEU 79 2HB LEU 79 -3.128 5.851 0.947 558 HG LEU 79 HG LEU 79 -0.680 5.922 0.015 559 1HD1 LEU 79 1HD1 LEU 79 -1.007 8.211 -0.933 560 2HD1 LEU 79 2HD1 LEU 79 -2.537 7.315 -0.926 561 3HD1 LEU 79 3HD1 LEU 79 -2.242 8.575 0.299 562 1HD2 LEU 79 1HD2 LEU 79 -0.390 8.099 2.193 563 2HD2 LEU 79 2HD2 LEU 79 0.531 6.578 2.098 564 3HD2 LEU 79 3HD2 LEU 79 0.750 7.815 0.852 565 H VAL 80 H VAL 80 -3.821 3.178 1.820 566 HA VAL 80 HA VAL 80 -5.505 3.892 4.106 567 HB VAL 80 HB VAL 80 -5.697 1.858 1.907 568 1HG1 VAL 80 1HG1 VAL 80 -7.856 3.740 3.045 569 2HG1 VAL 80 2HG1 VAL 80 -6.697 4.240 1.806 570 3HG1 VAL 80 3HG1 VAL 80 -7.840 2.922 1.461 571 1HG2 VAL 80 1HG2 VAL 80 -7.632 0.666 2.828 572 2HG2 VAL 80 2HG2 VAL 80 -6.300 0.474 3.992 573 3HG2 VAL 80 3HG2 VAL 80 -7.599 1.629 4.326 574 H MET 81 H MET 81 -3.113 1.374 3.509 575 HA MET 81 HA MET 81 -3.775 -0.312 5.878 576 1HB MET 81 1HB MET 81 -2.219 -1.834 5.119 577 2HB MET 81 2HB MET 81 -2.614 -1.022 3.615 578 1HG MET 81 1HG MET 81 -0.489 -0.092 3.370 579 2HG MET 81 2HG MET 81 -0.258 0.154 5.108 580 1HE MET 81 1HE MET 81 -1.782 -3.093 3.766 581 2HE MET 81 2HE MET 81 -0.594 -3.048 2.430 582 3HE MET 81 3HE MET 81 -0.437 -4.276 3.720 583 H MET 82 H MET 82 -1.564 2.316 5.121 584 HA MET 82 HA MET 82 0.236 2.008 7.453 585 1HB MET 82 1HB MET 82 1.170 4.213 6.835 586 2HB MET 82 2HB MET 82 -0.177 4.534 5.758 587 1HG MET 82 1HG MET 82 0.903 2.044 4.814 588 2HG MET 82 2HG MET 82 1.034 3.638 4.053 589 1HE MET 82 1HE MET 82 2.628 0.831 4.601 590 2HE MET 82 2HE MET 82 4.052 1.561 3.803 591 3HE MET 82 3HE MET 82 4.172 0.995 5.494 592 H VAL 83 H VAL 83 -2.508 4.144 6.675 593 HA VAL 83 HA VAL 83 -2.571 5.691 9.146 594 HB VAL 83 HB VAL 83 -4.943 5.078 7.307 595 1HG1 VAL 83 1HG1 VAL 83 -3.130 7.570 7.227 596 2HG1 VAL 83 2HG1 VAL 83 -2.921 6.186 6.145 597 3HG1 VAL 83 3HG1 VAL 83 -4.429 7.127 6.090 598 1HG2 VAL 83 1HG2 VAL 83 -6.054 7.060 8.203 599 2HG2 VAL 83 2HG2 VAL 83 -5.588 6.071 9.606 600 3HG2 VAL 83 3HG2 VAL 83 -4.638 7.504 9.190 601 NH1 ARG 84 NH1 ARG 84 -9.615 0.676 9.885 602 NH2 ARG 84 NH2 ARG 84 -9.094 2.406 8.509 603 H ARG 84 H ARG 84 -3.892 2.553 8.225 604 HA ARG 84 HA ARG 84 -5.707 2.050 10.505 605 1HB ARG 84 1HB ARG 84 -4.209 -0.176 9.032 606 2HB ARG 84 2HB ARG 84 -5.447 0.764 8.210 607 1HG ARG 84 1HG ARG 84 -5.778 -1.385 10.216 608 2HG ARG 84 2HG ARG 84 -6.691 0.053 10.677 609 1HD ARG 84 1HD ARG 84 -6.894 -1.417 7.967 610 2HD ARG 84 2HD ARG 84 -8.090 -1.464 9.261 611 HE ARG 84 HE ARG 84 -7.787 0.708 7.273 612 1HH1 ARG 84 1HH1 ARG 84 -10.286 1.323 10.314 613 2HH1 ARG 84 2HH1 ARG 84 -9.455 -0.304 10.143 614 1HH2 ARG 84 1HH2 ARG 84 -8.480 2.774 7.774 615 2HH2 ARG 84 2HH2 ARG 84 -9.859 2.904 8.978 616 H GLN 85 H GLN 85 -2.381 0.896 9.819 617 HA GLN 85 HA GLN 85 -1.900 -0.579 12.255 618 1HB GLN 85 1HB GLN 85 0.005 0.793 10.296 619 2HB GLN 85 2HB GLN 85 0.620 0.069 11.771 620 1HG GLN 85 1HG GLN 85 -1.072 -1.502 9.739 621 2HG GLN 85 2HG GLN 85 0.675 -1.404 9.651 622 1HE2 GLN 85 1HE2 GLN 85 -1.093 -3.802 12.540 623 2HE2 GLN 85 2HE2 GLN 85 -2.061 -2.566 11.590 624 H MET 86 H MET 86 -1.068 2.801 11.458 625 HA MET 86 HA MET 86 0.343 3.611 13.809 626 1HB MET 86 1HB MET 86 -1.602 5.533 12.435 627 2HB MET 86 2HB MET 86 -0.169 4.955 11.606 628 1HG MET 86 1HG MET 86 1.083 5.805 13.873 629 2HG MET 86 2HG MET 86 0.728 6.888 12.518 630 1HE MET 86 1HE MET 86 -0.453 7.320 16.761 631 2HE MET 86 2HE MET 86 0.843 6.407 15.934 632 3HE MET 86 3HE MET 86 0.848 8.195 15.894 633 H LYS 87 H LYS 87 -3.127 3.311 13.252 634 HA LYS 87 HA LYS 87 -4.157 4.578 15.681 635 1HB LYS 87 1HB LYS 87 -5.377 3.468 13.481 636 2HB LYS 87 2HB LYS 87 -5.654 2.169 14.622 637 1HG LYS 87 1HG LYS 87 -6.666 5.047 14.711 638 2HG LYS 87 2HG LYS 87 -6.553 4.149 16.211 639 1HD LYS 87 1HD LYS 87 -7.997 2.730 13.947 640 2HD LYS 87 2HD LYS 87 -8.298 2.704 15.677 641 1HE LYS 87 1HE LYS 87 -10.103 4.025 15.219 642 2HE LYS 87 2HE LYS 87 -8.949 5.358 15.151 643 1HZ LYS 87 1HZ LYS 87 -8.940 5.291 12.821 644 2HZ LYS 87 2HZ LYS 87 -9.532 3.751 12.725 645 3HZ LYS 87 3HZ LYS 87 -10.525 4.991 13.180 646 H GLU 88 H GLU 88 -3.492 1.133 14.945 647 HA GLU 88 HA GLU 88 -4.003 -0.112 17.447 648 1HB GLU 88 1HB GLU 88 -3.282 -1.247 15.276 649 2HB GLU 88 2HB GLU 88 -1.620 -0.862 15.677 650 1HG GLU 88 1HG GLU 88 -1.675 -3.001 16.560 651 2HG GLU 88 2HG GLU 88 -2.224 -2.150 17.994 652 H ASP 89 H ASP 89 -0.801 1.097 16.387 653 HA ASP 89 HA ASP 89 0.981 2.187 17.581 654 1HB ASP 89 1HB ASP 89 -0.768 2.356 20.083 655 2HB ASP 89 2HB ASP 89 -1.055 3.409 18.717 656 H ALA 90 H ALA 90 2.302 1.799 19.655 657 HA ALA 90 HA ALA 90 3.005 -1.070 19.797 658 1HB ALA 90 1HB ALA 90 4.550 -0.187 21.777 659 2HB ALA 90 2HB ALA 90 4.902 0.331 20.117 660 3HB ALA 90 3HB ALA 90 4.061 1.437 21.230 Start of MODEL 3 Raw file had 660 H/Q atoms Start of MODEL 3 1 1H ALA 1 1H ALA 1 -20.266 4.767 10.290 2 2H ALA 1 2H ALA 1 -20.876 3.782 9.072 3 3H ALA 1 3H ALA 1 -20.344 3.102 10.515 4 HA ALA 1 HA ALA 1 -18.127 4.269 9.920 5 1HB ALA 1 1HB ALA 1 -17.436 2.081 8.753 6 2HB ALA 1 2HB ALA 1 -18.238 1.869 10.322 7 3HB ALA 1 3HB ALA 1 -19.139 1.566 8.814 8 H SER 2 H SER 2 -19.448 2.525 7.139 9 HA SER 2 HA SER 2 -19.622 3.040 4.793 10 1HB SER 2 1HB SER 2 -19.757 5.960 5.728 11 2HB SER 2 2HB SER 2 -20.252 5.330 4.155 12 HG SER 2 HG SER 2 -21.334 4.009 6.322 13 H MET 3 H MET 3 -17.730 2.420 3.957 14 HA MET 3 HA MET 3 -15.303 4.293 4.000 15 1HB MET 3 1HB MET 3 -13.988 2.331 3.127 16 2HB MET 3 2HB MET 3 -15.422 1.326 3.219 17 1HG MET 3 1HG MET 3 -14.337 2.736 5.731 18 2HG MET 3 2HG MET 3 -13.688 1.184 5.177 19 1HE MET 3 1HE MET 3 -14.539 1.243 7.872 20 2HE MET 3 2HE MET 3 -16.017 0.313 8.257 21 3HE MET 3 3HE MET 3 -14.668 -0.477 7.389 22 H THR 4 H THR 4 -17.584 4.981 2.559 23 HA THR 4 HA THR 4 -17.754 4.366 -0.245 24 HB THR 4 HB THR 4 -19.049 6.158 1.311 25 HG1 THR 4 HG1 THR 4 -20.002 5.541 -0.446 26 1HG2 THR 4 1HG2 THR 4 -18.783 8.463 0.473 27 2HG2 THR 4 2HG2 THR 4 -17.279 7.962 1.279 28 3HG2 THR 4 3HG2 THR 4 -17.366 8.014 -0.501 29 H ASP 5 H ASP 5 -15.307 6.068 1.581 30 HA ASP 5 HA ASP 5 -13.287 5.884 -0.566 31 1HB ASP 5 1HB ASP 5 -14.805 8.461 -0.388 32 2HB ASP 5 2HB ASP 5 -13.067 8.646 -0.356 33 H GLN 6 H GLN 6 -12.867 4.766 1.579 34 HA GLN 6 HA GLN 6 -12.070 6.352 3.974 35 1HB GLN 6 1HB GLN 6 -11.571 4.295 5.044 36 2HB GLN 6 2HB GLN 6 -12.967 3.973 4.031 37 1HG GLN 6 1HG GLN 6 -10.069 3.178 3.366 38 2HG GLN 6 2HG GLN 6 -11.415 2.941 2.271 39 1HE2 GLN 6 1HE2 GLN 6 -11.681 0.713 5.789 40 2HE2 GLN 6 2HE2 GLN 6 -11.122 2.460 5.839 41 H GLN 7 H GLN 7 -10.457 4.813 1.233 42 HA GLN 7 HA GLN 7 -7.667 5.044 1.922 43 1HB GLN 7 1HB GLN 7 -8.692 5.622 -0.911 44 2HB GLN 7 2HB GLN 7 -7.127 4.994 -0.426 45 1HG GLN 7 1HG GLN 7 -7.853 2.823 -0.280 46 2HG GLN 7 2HG GLN 7 -9.368 3.243 0.492 47 1HE2 GLN 7 1HE2 GLN 7 -9.599 2.086 -3.288 48 2HE2 GLN 7 2HE2 GLN 7 -8.512 1.520 -1.922 49 H ALA 8 H ALA 8 -9.923 7.453 0.595 50 HA ALA 8 HA ALA 8 -7.982 9.590 0.039 51 1HB ALA 8 1HB ALA 8 -9.951 9.904 -1.149 52 2HB ALA 8 2HB ALA 8 -11.007 9.423 0.193 53 3HB ALA 8 3HB ALA 8 -10.249 11.036 0.191 54 H GLU 9 H GLU 9 -9.872 8.635 2.855 55 HA GLU 9 HA GLU 9 -9.596 11.068 4.500 56 1HB GLU 9 1HB GLU 9 -10.001 8.228 5.565 57 2HB GLU 9 2HB GLU 9 -10.331 9.731 6.402 58 1HG GLU 9 1HG GLU 9 -12.229 8.226 5.057 59 2HG GLU 9 2HG GLU 9 -11.809 9.360 3.784 60 H ALA 10 H ALA 10 -7.646 8.185 3.941 61 HA ALA 10 HA ALA 10 -5.783 8.364 6.172 62 1HB ALA 10 1HB ALA 10 -4.327 6.840 4.847 63 2HB ALA 10 2HB ALA 10 -6.019 6.307 4.812 64 3HB ALA 10 3HB ALA 10 -5.312 7.115 3.390 65 NH1 ARG 11 NH1 ARG 11 -4.735 14.224 -2.377 66 NH2 ARG 11 NH2 ARG 11 -6.579 12.926 -2.096 67 H ARG 11 H ARG 11 -5.637 9.642 2.851 68 HA ARG 11 HA ARG 11 -2.945 10.888 3.029 69 1HB ARG 11 1HB ARG 11 -3.914 10.265 0.833 70 2HB ARG 11 2HB ARG 11 -5.260 11.370 1.073 71 1HG ARG 11 1HG ARG 11 -3.923 13.335 0.807 72 2HG ARG 11 2HG ARG 11 -2.409 12.481 1.109 73 1HD ARG 11 1HD ARG 11 -2.631 13.000 -1.317 74 2HD ARG 11 2HD ARG 11 -2.593 11.256 -1.066 75 HE ARG 11 HE ARG 11 -4.886 11.106 -1.837 76 1HH1 ARG 11 1HH1 ARG 11 -5.393 14.966 -2.641 77 2HH1 ARG 11 2HH1 ARG 11 -3.711 14.283 -2.373 78 1HH2 ARG 11 1HH2 ARG 11 -6.968 12.026 -1.796 79 2HH2 ARG 11 2HH2 ARG 11 -7.101 13.730 -2.464 80 H ALA 12 H ALA 12 -6.279 11.924 3.568 81 HA ALA 12 HA ALA 12 -5.954 14.780 4.029 82 1HB ALA 12 1HB ALA 12 -8.017 14.646 5.407 83 2HB ALA 12 2HB ALA 12 -8.189 13.720 3.903 84 3HB ALA 12 3HB ALA 12 -7.917 12.869 5.445 85 H PHE 13 H PHE 13 -5.133 11.971 5.972 86 HA PHE 13 HA PHE 13 -4.555 13.622 8.447 87 1HB PHE 13 1HB PHE 13 -4.144 10.612 8.380 88 2HB PHE 13 2HB PHE 13 -5.779 11.201 8.242 89 HD1 PHE 13 HD1 PHE 13 -5.818 13.566 10.116 90 HD2 PHE 13 HD2 PHE 13 -3.779 9.802 10.568 91 HE1 PHE 13 HE1 PHE 13 -6.117 13.683 12.556 92 HE2 PHE 13 HE2 PHE 13 -4.088 9.938 13.004 93 HZ PHE 13 HZ PHE 13 -5.229 11.889 14.005 94 H LEU 14 H LEU 14 -2.954 13.926 6.072 95 HA LEU 14 HA LEU 14 -0.240 13.706 7.344 96 1HB LEU 14 1HB LEU 14 0.865 12.625 5.383 97 2HB LEU 14 2HB LEU 14 -0.684 12.391 4.600 98 HG LEU 14 HG LEU 14 -1.395 10.843 6.493 99 1HD1 LEU 14 1HD1 LEU 14 1.536 11.023 7.439 100 2HD1 LEU 14 2HD1 LEU 14 0.173 11.799 8.265 101 3HD1 LEU 14 3HD1 LEU 14 0.243 10.023 8.147 102 1HD2 LEU 14 1HD2 LEU 14 -0.103 8.896 5.725 103 2HD2 LEU 14 2HD2 LEU 14 -0.319 9.974 4.325 104 3HD2 LEU 14 3HD2 LEU 14 1.237 9.929 5.166 105 H SER 15 H SER 15 1.350 14.928 6.061 106 HA SER 15 HA SER 15 0.200 17.458 4.939 107 1HB SER 15 1HB SER 15 3.183 16.959 4.927 108 2HB SER 15 2HB SER 15 2.276 18.428 5.296 109 HG SER 15 HG SER 15 1.459 17.055 7.153 110 H GLU 16 H GLU 16 0.916 18.350 2.903 111 HA GLU 16 HA GLU 16 0.481 16.595 0.608 112 1HB GLU 16 1HB GLU 16 0.157 19.221 0.895 113 2HB GLU 16 2HB GLU 16 1.794 19.316 0.277 114 1HG GLU 16 1HG GLU 16 1.117 18.153 -1.836 115 2HG GLU 16 2HG GLU 16 -0.500 17.882 -1.209 116 H GLU 17 H GLU 17 3.352 17.866 2.183 117 HA GLU 17 HA GLU 17 5.290 17.054 0.051 118 1HB GLU 17 1HB GLU 17 6.491 17.540 2.717 119 2HB GLU 17 2HB GLU 17 6.888 18.209 1.147 120 1HG GLU 17 1HG GLU 17 4.619 19.639 1.511 121 2HG GLU 17 2HG GLU 17 4.867 19.228 3.199 122 H MET 18 H MET 18 4.051 15.761 3.084 123 HA MET 18 HA MET 18 5.926 13.568 3.526 124 1HB MET 18 1HB MET 18 3.004 13.904 4.400 125 2HB MET 18 2HB MET 18 4.452 14.244 5.331 126 1HG MET 18 1HG MET 18 3.001 11.687 5.025 127 2HG MET 18 2HG MET 18 4.718 11.479 4.647 128 1HE MET 18 1HE MET 18 6.355 11.060 7.828 129 2HE MET 18 2HE MET 18 6.303 10.972 6.043 130 3HE MET 18 3HE MET 18 6.815 12.485 6.845 131 H ILE 19 H ILE 19 3.028 13.917 1.549 132 HA ILE 19 HA ILE 19 2.559 11.107 0.831 133 HB ILE 19 HB ILE 19 1.800 13.667 -0.660 134 1HG1 ILE 19 1HG1 ILE 19 0.402 13.684 1.241 135 2HG1 ILE 19 2HG1 ILE 19 -0.592 12.828 0.082 136 1HG2 ILE 19 1HG2 ILE 19 0.295 12.277 -2.101 137 2HG2 ILE 19 2HG2 ILE 19 1.974 11.789 -2.324 138 3HG2 ILE 19 3HG2 ILE 19 0.893 10.788 -1.328 139 1HD1 ILE 19 1HD1 ILE 19 0.991 11.463 2.336 140 2HD1 ILE 19 2HD1 ILE 19 -0.767 11.680 2.217 141 3HD1 ILE 19 3HD1 ILE 19 0.069 10.602 1.075 142 H ALA 20 H ALA 20 4.499 13.725 -0.603 143 HA ALA 20 HA ALA 20 5.378 12.405 -3.038 144 1HB ALA 20 1HB ALA 20 5.590 14.850 -2.641 145 2HB ALA 20 2HB ALA 20 6.853 14.573 -1.427 146 3HB ALA 20 3HB ALA 20 7.151 14.152 -3.133 147 H GLU 21 H GLU 21 6.534 12.279 0.287 148 HA GLU 21 HA GLU 21 9.163 11.038 -0.218 149 1HB GLU 21 1HB GLU 21 9.387 11.882 1.840 150 2HB GLU 21 2HB GLU 21 7.659 11.943 2.124 151 1HG GLU 21 1HG GLU 21 9.007 9.217 2.343 152 2HG GLU 21 2HG GLU 21 7.601 9.831 3.196 153 H PHE 22 H PHE 22 5.945 9.826 0.653 154 HA PHE 22 HA PHE 22 6.628 6.988 1.038 155 1HB PHE 22 1HB PHE 22 3.968 8.374 0.393 156 2HB PHE 22 2HB PHE 22 4.082 6.641 0.541 157 HD1 PHE 22 HD1 PHE 22 2.457 6.785 2.480 158 HD2 PHE 22 HD2 PHE 22 6.312 8.688 2.700 159 HE1 PHE 22 HE1 PHE 22 2.239 6.968 4.922 160 HE2 PHE 22 HE2 PHE 22 6.071 8.866 5.143 161 HZ PHE 22 HZ PHE 22 4.028 8.033 6.255 162 H LYS 23 H LYS 23 5.804 9.008 -1.722 163 HA LYS 23 HA LYS 23 5.386 6.831 -3.697 164 1HB LYS 23 1HB LYS 23 4.253 8.742 -4.373 165 2HB LYS 23 2HB LYS 23 5.480 9.851 -3.799 166 1HG LYS 23 1HG LYS 23 6.252 8.112 -6.154 167 2HG LYS 23 2HG LYS 23 4.977 9.278 -6.446 168 1HD LYS 23 1HD LYS 23 7.727 10.064 -5.275 169 2HD LYS 23 2HD LYS 23 6.444 11.154 -5.777 170 1HE LYS 23 1HE LYS 23 8.550 10.538 -7.399 171 2HE LYS 23 2HE LYS 23 7.462 9.248 -7.916 172 1HZ LYS 23 1HZ LYS 23 6.742 10.901 -9.272 173 2HZ LYS 23 2HZ LYS 23 5.793 11.330 -7.990 174 3HZ LYS 23 3HZ LYS 23 7.208 12.134 -8.275 175 H ALA 24 H ALA 24 8.074 8.852 -2.635 176 HA ALA 24 HA ALA 24 10.022 8.284 -4.729 177 1HB ALA 24 1HB ALA 24 11.731 9.079 -3.106 178 2HB ALA 24 2HB ALA 24 10.317 10.150 -3.124 179 3HB ALA 24 3HB ALA 24 10.549 9.007 -1.777 180 H ALA 25 H ALA 25 9.118 6.585 -1.763 181 HA ALA 25 HA ALA 25 11.373 4.601 -1.894 182 1HB ALA 25 1HB ALA 25 10.382 3.670 0.189 183 2HB ALA 25 2HB ALA 25 10.607 5.425 0.313 184 3HB ALA 25 3HB ALA 25 8.978 4.754 0.044 185 H PHE 26 H PHE 26 7.918 4.763 -2.579 186 HA PHE 26 HA PHE 26 7.297 1.932 -2.795 187 1HB PHE 26 1HB PHE 26 5.584 3.766 -2.603 188 2HB PHE 26 2HB PHE 26 5.917 4.276 -4.238 189 HD1 PHE 26 HD1 PHE 26 6.159 0.653 -3.925 190 HD2 PHE 26 HD2 PHE 26 3.330 3.857 -4.413 191 HE1 PHE 26 HE1 PHE 26 4.490 -0.936 -4.794 192 HE2 PHE 26 HE2 PHE 26 1.625 2.229 -5.127 193 HZ PHE 26 HZ PHE 26 2.199 -0.167 -5.312 194 H ASP 27 H ASP 27 8.678 4.260 -5.050 195 HA ASP 27 HA ASP 27 8.448 2.630 -7.504 196 1HB ASP 27 1HB ASP 27 8.790 5.224 -7.329 197 2HB ASP 27 2HB ASP 27 10.493 4.874 -7.140 198 H MET 28 H MET 28 10.851 3.025 -4.965 199 HA MET 28 HA MET 28 13.216 1.875 -6.102 200 1HB MET 28 1HB MET 28 12.246 1.522 -3.206 201 2HB MET 28 2HB MET 28 13.840 1.069 -3.781 202 1HG MET 28 1HG MET 28 12.832 3.958 -4.095 203 2HG MET 28 2HG MET 28 13.578 3.386 -2.595 204 1HE MET 28 1HE MET 28 15.764 1.824 -2.673 205 2HE MET 28 2HE MET 28 15.818 1.095 -4.305 206 3HE MET 28 3HE MET 28 17.144 2.166 -3.764 207 H PHE 29 H PHE 29 10.432 0.246 -4.594 208 HA PHE 29 HA PHE 29 11.534 -2.528 -5.092 209 1HB PHE 29 1HB PHE 29 9.387 -3.340 -4.037 210 2HB PHE 29 2HB PHE 29 8.801 -1.702 -3.939 211 HD1 PHE 29 HD1 PHE 29 9.280 -3.737 -1.606 212 HD2 PHE 29 HD2 PHE 29 11.611 -0.440 -3.100 213 HE1 PHE 29 HE1 PHE 29 10.356 -3.485 0.594 214 HE2 PHE 29 HE2 PHE 29 12.655 -0.190 -0.885 215 HZ PHE 29 HZ PHE 29 12.040 -1.713 0.958 216 H ASP 30 H ASP 30 9.096 -0.302 -6.332 217 HA ASP 30 HA ASP 30 8.019 -2.244 -8.357 218 1HB ASP 30 1HB ASP 30 6.316 -0.818 -7.566 219 2HB ASP 30 2HB ASP 30 7.315 0.616 -7.614 220 H ALA 31 H ALA 31 9.865 -2.758 -9.515 221 HA ALA 31 HA ALA 31 11.595 -0.825 -10.931 222 1HB ALA 31 1HB ALA 31 12.490 -2.830 -12.123 223 2HB ALA 31 2HB ALA 31 12.399 -3.093 -10.371 224 3HB ALA 31 3HB ALA 31 11.194 -3.845 -11.448 225 H ASP 32 H ASP 32 8.842 -2.872 -11.889 226 HA ASP 32 HA ASP 32 7.989 -0.925 -14.018 227 1HB ASP 32 1HB ASP 32 7.776 -2.948 -15.725 228 2HB ASP 32 2HB ASP 32 9.049 -3.680 -14.777 229 H GLY 33 H GLY 33 5.838 -1.186 -14.595 230 1HA GLY 33 1HA GLY 33 3.932 -3.224 -14.306 231 2HA GLY 33 2HA GLY 33 4.106 -2.692 -12.629 232 H GLY 34 H GLY 34 4.338 -0.040 -12.705 233 1HA GLY 34 1HA GLY 34 1.634 0.913 -13.783 234 2HA GLY 34 2HA GLY 34 3.071 1.857 -14.186 235 H GLY 35 H GLY 35 2.305 0.159 -11.158 236 1HA GLY 35 1HA GLY 35 3.187 2.114 -9.242 237 2HA GLY 35 2HA GLY 35 1.537 2.607 -9.639 238 H ASP 36 H ASP 36 2.975 -0.638 -9.369 239 HA ASP 36 HA ASP 36 1.250 -1.312 -6.952 240 1HB ASP 36 1HB ASP 36 0.030 -3.046 -7.876 241 2HB ASP 36 2HB ASP 36 0.038 -1.899 -9.196 242 H ILE 37 H ILE 37 1.924 -3.269 -5.910 243 HA ILE 37 HA ILE 37 4.638 -4.461 -6.619 244 HB ILE 37 HB ILE 37 5.480 -4.176 -4.280 245 1HG1 ILE 37 1HG1 ILE 37 3.322 -1.989 -3.944 246 2HG1 ILE 37 2HG1 ILE 37 3.224 -3.567 -3.192 247 1HG2 ILE 37 1HG2 ILE 37 6.387 -1.879 -4.652 248 2HG2 ILE 37 2HG2 ILE 37 6.322 -2.763 -6.182 249 3HG2 ILE 37 3HG2 ILE 37 5.099 -1.521 -5.827 250 1HD1 ILE 37 1HD1 ILE 37 5.412 -1.497 -2.581 251 2HD1 ILE 37 2HD1 ILE 37 4.062 -1.994 -1.538 252 3HD1 ILE 37 3HD1 ILE 37 5.361 -3.150 -1.912 253 H SER 38 H SER 38 5.044 -6.366 -5.207 254 HA SER 38 HA SER 38 2.606 -8.075 -4.869 255 1HB SER 38 1HB SER 38 5.048 -8.761 -5.661 256 2HB SER 38 2HB SER 38 5.370 -8.938 -3.934 257 HG SER 38 HG SER 38 4.451 -10.756 -5.244 258 H THR 39 H THR 39 2.339 -9.315 -2.832 259 HA THR 39 HA THR 39 2.051 -7.479 -0.490 260 HB THR 39 HB THR 39 0.931 -9.366 0.663 261 HG1 THR 39 HG1 THR 39 0.895 -10.863 -1.660 262 1HG2 THR 39 1HG2 THR 39 -1.085 -9.539 -0.728 263 2HG2 THR 39 2HG2 THR 39 -0.456 -7.879 -0.844 264 3HG2 THR 39 3HG2 THR 39 -0.200 -9.028 -2.184 265 H LYS 40 H LYS 40 4.146 -10.110 -1.503 266 HA LYS 40 HA LYS 40 5.285 -10.916 1.050 267 1HB LYS 40 1HB LYS 40 5.589 -11.787 -1.563 268 2HB LYS 40 2HB LYS 40 7.135 -10.998 -1.332 269 1HG LYS 40 1HG LYS 40 7.235 -12.448 0.919 270 2HG LYS 40 2HG LYS 40 5.974 -13.400 0.161 271 1HD LYS 40 1HD LYS 40 7.724 -14.625 -0.706 272 2HD LYS 40 2HD LYS 40 7.762 -13.355 -1.918 273 1HE LYS 40 1HE LYS 40 9.568 -13.520 0.568 274 2HE LYS 40 2HE LYS 40 9.509 -12.098 -0.476 275 1HZ LYS 40 1HZ LYS 40 11.157 -13.232 -1.513 276 2HZ LYS 40 2HZ LYS 40 10.669 -14.723 -0.994 277 3HZ LYS 40 3HZ LYS 40 9.930 -14.017 -2.292 278 H GLU 41 H GLU 41 6.099 -8.340 -1.229 279 HA GLU 41 HA GLU 41 8.545 -7.488 0.330 280 1HB GLU 41 1HB GLU 41 7.464 -6.099 -2.167 281 2HB GLU 41 2HB GLU 41 9.077 -6.006 -1.489 282 1HG GLU 41 1HG GLU 41 7.842 -8.165 -3.220 283 2HG GLU 41 2HG GLU 41 8.975 -8.725 -2.002 284 H LEU 42 H LEU 42 5.371 -6.197 -0.643 285 HA LEU 42 HA LEU 42 5.249 -3.589 0.242 286 1HB LEU 42 1HB LEU 42 3.136 -5.766 0.759 287 2HB LEU 42 2HB LEU 42 3.305 -4.804 -0.693 288 HG LEU 42 HG LEU 42 1.376 -4.160 0.822 289 1HD1 LEU 42 1HD1 LEU 42 3.344 -1.823 0.394 290 2HD1 LEU 42 2HD1 LEU 42 2.410 -2.568 -0.912 291 3HD1 LEU 42 3HD1 LEU 42 1.563 -1.750 0.425 292 1HD2 LEU 42 1HD2 LEU 42 1.714 -2.860 2.882 293 2HD2 LEU 42 2HD2 LEU 42 2.602 -4.394 3.053 294 3HD2 LEU 42 3HD2 LEU 42 3.486 -2.901 2.690 295 H GLY 43 H GLY 43 4.387 -6.269 2.454 296 1HA GLY 43 1HA GLY 43 4.289 -5.137 5.009 297 2HA GLY 43 2HA GLY 43 5.080 -6.693 4.745 298 H THR 44 H THR 44 7.380 -6.404 3.685 299 HA THR 44 HA THR 44 9.226 -5.487 5.543 300 HB THR 44 HB THR 44 9.491 -5.912 2.571 301 HG1 THR 44 HG1 THR 44 9.704 -7.693 3.641 302 1HG2 THR 44 1HG2 THR 44 11.958 -5.515 2.649 303 2HG2 THR 44 2HG2 THR 44 11.057 -4.000 2.868 304 3HG2 THR 44 3HG2 THR 44 11.806 -4.800 4.274 305 H VAL 45 H VAL 45 7.966 -3.595 2.797 306 HA VAL 45 HA VAL 45 9.633 -1.257 2.928 307 HB VAL 45 HB VAL 45 6.676 -1.134 2.165 308 1HG1 VAL 45 1HG1 VAL 45 8.975 -1.891 0.257 309 2HG1 VAL 45 2HG1 VAL 45 7.884 -3.078 0.981 310 3HG1 VAL 45 3HG1 VAL 45 7.231 -1.833 -0.108 311 1HG2 VAL 45 1HG2 VAL 45 7.278 0.709 0.681 312 2HG2 VAL 45 2HG2 VAL 45 7.979 1.097 2.269 313 3HG2 VAL 45 3HG2 VAL 45 9.021 0.481 0.979 314 H MET 46 H MET 46 6.596 -2.004 4.640 315 HA MET 46 HA MET 46 6.100 0.503 5.964 316 1HB MET 46 1HB MET 46 5.444 -2.326 6.977 317 2HB MET 46 2HB MET 46 4.858 -0.853 7.727 318 1HG MET 46 1HG MET 46 3.701 -0.230 5.519 319 2HG MET 46 2HG MET 46 4.206 -1.797 4.867 320 1HE MET 46 1HE MET 46 4.043 -3.972 6.772 321 2HE MET 46 2HE MET 46 3.920 -3.077 8.315 322 3HE MET 46 3HE MET 46 2.595 -4.164 7.809 323 NH1 ARG 47 NH1 ARG 47 12.195 -7.117 9.233 324 NH2 ARG 47 NH2 ARG 47 11.353 -7.668 11.270 325 H ARG 47 H ARG 47 8.133 -2.240 6.979 326 HA ARG 47 HA ARG 47 8.883 -0.929 9.608 327 1HB ARG 47 1HB ARG 47 9.394 -3.009 10.362 328 2HB ARG 47 2HB ARG 47 8.389 -3.513 9.007 329 1HG ARG 47 1HG ARG 47 11.021 -3.282 7.891 330 2HG ARG 47 2HG ARG 47 10.083 -4.749 8.173 331 1HD ARG 47 1HD ARG 47 12.484 -4.512 9.296 332 2HD ARG 47 2HD ARG 47 11.676 -3.489 10.483 333 HE ARG 47 HE ARG 47 10.236 -5.467 11.134 334 1HH1 ARG 47 1HH1 ARG 47 12.590 -8.064 9.226 335 2HH1 ARG 47 2HH1 ARG 47 12.255 -6.421 8.482 336 1HH2 ARG 47 1HH2 ARG 47 10.851 -7.365 12.112 337 2HH2 ARG 47 2HH2 ARG 47 11.721 -8.606 11.078 338 H MET 48 H MET 48 10.093 -0.986 6.402 339 HA MET 48 HA MET 48 13.008 -0.821 7.119 340 1HB MET 48 1HB MET 48 11.674 -0.451 4.368 341 2HB MET 48 2HB MET 48 12.201 -1.990 5.027 342 1HG MET 48 1HG MET 48 13.871 0.265 3.892 343 2HG MET 48 2HG MET 48 14.581 -0.621 5.252 344 1HE MET 48 1HE MET 48 14.308 -3.940 4.885 345 2HE MET 48 2HE MET 48 15.849 -3.762 3.995 346 3HE MET 48 3HE MET 48 15.477 -2.666 5.358 347 H LEU 49 H LEU 49 10.504 1.346 7.324 348 HA LEU 49 HA LEU 49 12.351 3.769 6.935 349 1HB LEU 49 1HB LEU 49 10.718 4.710 5.730 350 2HB LEU 49 2HB LEU 49 9.773 4.823 7.198 351 HG LEU 49 HG LEU 49 9.434 2.163 5.878 352 1HD1 LEU 49 1HD1 LEU 49 8.490 4.629 4.286 353 2HD1 LEU 49 2HD1 LEU 49 9.863 3.608 3.821 354 3HD1 LEU 49 3HD1 LEU 49 8.222 2.917 3.871 355 1HD2 LEU 49 1HD2 LEU 49 7.049 2.598 6.273 356 2HD2 LEU 49 2HD2 LEU 49 7.931 3.159 7.715 357 3HD2 LEU 49 3HD2 LEU 49 7.345 4.336 6.532 358 H GLY 50 H GLY 50 9.770 2.318 8.935 359 1HA GLY 50 1HA GLY 50 11.077 2.913 11.529 360 2HA GLY 50 2HA GLY 50 9.895 4.169 11.175 361 H GLN 51 H GLN 51 10.013 0.605 10.901 362 HA GLN 51 HA GLN 51 7.771 0.317 12.933 363 1HB GLN 51 1HB GLN 51 7.030 0.303 10.239 364 2HB GLN 51 2HB GLN 51 7.304 -1.405 10.539 365 1HG GLN 51 1HG GLN 51 4.907 -0.584 10.883 366 2HG GLN 51 2HG GLN 51 5.571 -1.570 12.169 367 1HE2 GLN 51 1HE2 GLN 51 4.492 2.340 12.935 368 2HE2 GLN 51 2HE2 GLN 51 4.302 1.541 11.294 369 H ASN 52 H ASN 52 7.359 -2.316 12.862 370 HA ASN 52 HA ASN 52 9.901 -3.875 12.750 371 1HB ASN 52 1HB ASN 52 9.891 -2.339 14.905 372 2HB ASN 52 2HB ASN 52 8.781 -3.515 15.574 373 1HD2 ASN 52 1HD2 ASN 52 11.473 -5.835 16.234 374 2HD2 ASN 52 2HD2 ASN 52 9.662 -5.541 16.207 375 HA PRO 53 HA PRO 53 5.398 -5.917 13.241 376 1HB PRO 53 1HB PRO 53 4.171 -5.994 11.202 377 2HB PRO 53 2HB PRO 53 5.613 -6.503 10.294 378 1HG PRO 53 1HG PRO 53 5.002 -3.645 11.241 379 2HG PRO 53 2HG PRO 53 5.455 -4.199 9.596 380 1HD PRO 53 1HD PRO 53 7.729 -4.724 10.293 381 2HD PRO 53 2HD PRO 53 7.350 -3.213 11.188 382 H THR 54 H THR 54 4.892 -8.255 11.885 383 HA THR 54 HA THR 54 7.392 -9.994 12.083 384 HB THR 54 HB THR 54 6.654 -11.414 13.640 385 HG1 THR 54 HG1 THR 54 4.165 -11.649 13.763 386 1HG2 THR 54 1HG2 THR 54 5.138 -10.541 15.389 387 2HG2 THR 54 2HG2 THR 54 6.230 -9.247 14.841 388 3HG2 THR 54 3HG2 THR 54 4.534 -9.274 14.294 389 H LYS 55 H LYS 55 6.869 -12.222 11.135 390 HA LYS 55 HA LYS 55 5.966 -11.781 8.304 391 1HB LYS 55 1HB LYS 55 8.027 -13.209 9.148 392 2HB LYS 55 2HB LYS 55 6.860 -14.478 9.454 393 1HG LYS 55 1HG LYS 55 6.149 -14.312 6.983 394 2HG LYS 55 2HG LYS 55 7.742 -14.966 7.307 395 1HD LYS 55 1HD LYS 55 7.577 -13.304 5.332 396 2HD LYS 55 2HD LYS 55 7.233 -12.042 6.504 397 1HE LYS 55 1HE LYS 55 9.444 -12.256 7.561 398 2HE LYS 55 2HE LYS 55 9.835 -13.696 6.620 399 1HZ LYS 55 1HZ LYS 55 10.454 -11.155 5.923 400 2HZ LYS 55 2HZ LYS 55 10.420 -12.427 4.869 401 3HZ LYS 55 3HZ LYS 55 9.119 -11.415 4.985 402 H GLU 56 H GLU 56 4.956 -13.552 11.193 403 HA GLU 56 HA GLU 56 2.716 -15.063 10.100 404 1HB GLU 56 1HB GLU 56 2.718 -14.017 12.962 405 2HB GLU 56 2HB GLU 56 3.886 -15.220 12.453 406 1HG GLU 56 1HG GLU 56 2.202 -16.901 12.082 407 2HG GLU 56 2HG GLU 56 0.906 -15.725 11.946 408 H GLU 57 H GLU 57 3.060 -11.751 11.250 409 HA GLU 57 HA GLU 57 0.169 -11.024 11.150 410 1HB GLU 57 1HB GLU 57 2.438 -8.991 11.070 411 2HB GLU 57 2HB GLU 57 0.802 -8.785 11.664 412 1HG GLU 57 1HG GLU 57 2.452 -10.878 13.109 413 2HG GLU 57 2HG GLU 57 3.013 -9.223 13.267 414 H LEU 58 H LEU 58 2.959 -10.912 9.000 415 HA LEU 58 HA LEU 58 1.906 -9.204 6.850 416 1HB LEU 58 1HB LEU 58 4.352 -10.320 7.314 417 2HB LEU 58 2HB LEU 58 3.755 -11.513 6.181 418 HG LEU 58 HG LEU 58 4.342 -8.554 5.698 419 1HD1 LEU 58 1HD1 LEU 58 2.685 -10.253 3.729 420 2HD1 LEU 58 2HD1 LEU 58 1.979 -9.034 4.800 421 3HD1 LEU 58 3HD1 LEU 58 3.151 -8.542 3.554 422 1HD2 LEU 58 1HD2 LEU 58 5.696 -9.394 3.810 423 2HD2 LEU 58 2HD2 LEU 58 6.127 -10.329 5.263 424 3HD2 LEU 58 3HD2 LEU 58 5.072 -11.048 4.033 425 H ASP 59 H ASP 59 1.619 -12.618 7.674 426 HA ASP 59 HA ASP 59 0.330 -13.560 5.209 427 1HB ASP 59 1HB ASP 59 -0.131 -14.942 7.891 428 2HB ASP 59 2HB ASP 59 1.460 -14.949 7.164 429 H ALA 60 H ALA 60 -0.833 -12.118 8.201 430 HA ALA 60 HA ALA 60 -3.713 -12.562 7.877 431 1HB ALA 60 1HB ALA 60 -3.986 -10.761 9.574 432 2HB ALA 60 2HB ALA 60 -2.731 -11.921 10.054 433 3HB ALA 60 3HB ALA 60 -2.268 -10.318 9.427 434 H ILE 61 H ILE 61 -1.852 -9.529 7.433 435 HA ILE 61 HA ILE 61 -3.729 -7.896 6.117 436 HB ILE 61 HB ILE 61 -0.710 -7.960 5.941 437 1HG1 ILE 61 1HG1 ILE 61 -1.071 -5.517 6.802 438 2HG1 ILE 61 2HG1 ILE 61 -2.763 -5.918 7.003 439 1HG2 ILE 61 1HG2 ILE 61 -0.677 -5.950 4.439 440 2HG2 ILE 61 2HG2 ILE 61 -1.387 -7.334 3.611 441 3HG2 ILE 61 3HG2 ILE 61 -2.444 -6.048 4.239 442 1HD1 ILE 61 1HD1 ILE 61 -0.471 -7.302 8.516 443 2HD1 ILE 61 2HD1 ILE 61 -1.667 -6.157 9.161 444 3HD1 ILE 61 3HD1 ILE 61 -2.191 -7.769 8.620 445 H ILE 62 H ILE 62 -1.743 -10.532 4.886 446 HA ILE 62 HA ILE 62 -2.105 -10.147 1.993 447 HB ILE 62 HB ILE 62 -1.113 -12.399 3.716 448 1HG1 ILE 62 1HG1 ILE 62 0.046 -11.413 1.039 449 2HG1 ILE 62 2HG1 ILE 62 0.316 -10.517 2.518 450 1HG2 ILE 62 1HG2 ILE 62 -1.073 -14.054 1.832 451 2HG2 ILE 62 2HG2 ILE 62 -2.734 -13.638 2.248 452 3HG2 ILE 62 3HG2 ILE 62 -1.989 -12.929 0.798 453 1HD1 ILE 62 1HD1 ILE 62 1.251 -13.410 2.059 454 2HD1 ILE 62 2HD1 ILE 62 2.247 -11.943 2.139 455 3HD1 ILE 62 3HD1 ILE 62 1.410 -12.520 3.598 456 H GLU 63 H GLU 63 -3.774 -12.202 4.392 457 HA GLU 63 HA GLU 63 -5.737 -13.465 2.739 458 1HB GLU 63 1HB GLU 63 -5.216 -13.662 5.359 459 2HB GLU 63 2HB GLU 63 -6.578 -12.571 5.512 460 1HG GLU 63 1HG GLU 63 -7.821 -14.383 3.927 461 2HG GLU 63 2HG GLU 63 -7.726 -14.577 5.669 462 H GLU 64 H GLU 64 -5.869 -10.303 4.365 463 HA GLU 64 HA GLU 64 -8.621 -9.587 3.669 464 1HB GLU 64 1HB GLU 64 -6.728 -8.492 5.338 465 2HB GLU 64 2HB GLU 64 -6.676 -7.331 4.026 466 1HG GLU 64 1HG GLU 64 -9.301 -7.183 4.272 467 2HG GLU 64 2HG GLU 64 -9.095 -8.066 5.776 468 H VAL 65 H VAL 65 -5.506 -9.170 2.072 469 HA VAL 65 HA VAL 65 -6.763 -7.650 -0.255 470 HB VAL 65 HB VAL 65 -3.767 -8.093 0.119 471 1HG1 VAL 65 1HG1 VAL 65 -3.552 -6.076 -1.344 472 2HG1 VAL 65 2HG1 VAL 65 -4.473 -7.352 -2.162 473 3HG1 VAL 65 3HG1 VAL 65 -5.323 -5.946 -1.475 474 1HG2 VAL 65 1HG2 VAL 65 -5.380 -5.693 1.229 475 2HG2 VAL 65 2HG2 VAL 65 -4.521 -6.919 2.192 476 3HG2 VAL 65 3HG2 VAL 65 -3.604 -5.813 1.160 477 H ASP 66 H ASP 66 -7.334 -10.407 0.244 478 HA ASP 66 HA ASP 66 -6.651 -11.503 -2.477 479 1HB ASP 66 1HB ASP 66 -6.123 -13.429 -0.172 480 2HB ASP 66 2HB ASP 66 -4.864 -12.331 -0.687 481 H GLU 67 H GLU 67 -8.943 -10.425 -1.196 482 HA GLU 67 HA GLU 67 -10.760 -12.652 -0.315 483 1HB GLU 67 1HB GLU 67 -10.992 -9.639 -0.428 484 2HB GLU 67 2HB GLU 67 -12.476 -10.571 -0.445 485 1HG GLU 67 1HG GLU 67 -11.313 -11.795 1.706 486 2HG GLU 67 2HG GLU 67 -10.414 -10.289 1.778 487 H ASP 68 H ASP 68 -10.637 -10.272 -2.978 488 HA ASP 68 HA ASP 68 -11.795 -12.224 -4.945 489 1HB ASP 68 1HB ASP 68 -13.957 -11.657 -4.527 490 2HB ASP 68 2HB ASP 68 -13.587 -10.332 -5.606 491 H GLY 69 H GLY 69 -9.530 -11.715 -5.507 492 1HA GLY 69 1HA GLY 69 -8.405 -9.265 -6.450 493 2HA GLY 69 2HA GLY 69 -9.450 -9.769 -7.783 494 H SER 70 H SER 70 -6.758 -9.550 -8.123 495 HA SER 70 HA SER 70 -5.928 -12.355 -8.912 496 1HB SER 70 1HB SER 70 -4.637 -11.416 -10.559 497 2HB SER 70 2HB SER 70 -4.137 -10.035 -9.579 498 HG SER 70 HG SER 70 -5.685 -9.726 -11.370 499 H GLY 71 H GLY 71 -5.032 -9.722 -6.741 500 1HA GLY 71 1HA GLY 71 -2.922 -11.506 -5.384 501 2HA GLY 71 2HA GLY 71 -3.948 -10.366 -4.506 502 H THR 72 H THR 72 -3.862 -8.082 -5.823 503 HA THR 72 HA THR 72 -0.934 -7.251 -5.785 504 HB THR 72 HB THR 72 -0.965 -5.985 -7.717 505 HG1 THR 72 HG1 THR 72 -2.665 -5.124 -8.588 506 1HG2 THR 72 1HG2 THR 72 -2.896 -8.114 -8.767 507 2HG2 THR 72 2HG2 THR 72 -1.517 -7.356 -9.594 508 3HG2 THR 72 3HG2 THR 72 -1.237 -8.545 -8.295 509 H ILE 73 H ILE 73 -0.632 -4.969 -5.323 510 HA ILE 73 HA ILE 73 -2.947 -3.583 -3.952 511 HB ILE 73 HB ILE 73 -1.515 -4.961 -2.306 512 1HG1 ILE 73 1HG1 ILE 73 -3.188 -2.803 -1.986 513 2HG1 ILE 73 2HG1 ILE 73 -1.735 -2.151 -1.250 514 1HG2 ILE 73 1HG2 ILE 73 0.484 -3.936 -1.286 515 2HG2 ILE 73 2HG2 ILE 73 0.788 -4.188 -3.011 516 3HG2 ILE 73 3HG2 ILE 73 0.418 -2.555 -2.406 517 1HD1 ILE 73 1HD1 ILE 73 -1.777 -4.591 0.051 518 2HD1 ILE 73 2HD1 ILE 73 -2.559 -3.115 0.658 519 3HD1 ILE 73 3HD1 ILE 73 -3.523 -4.331 -0.215 520 H ASP 74 H ASP 74 -2.782 -1.336 -3.843 521 HA ASP 74 HA ASP 74 -0.855 -0.109 -5.883 522 1HB ASP 74 1HB ASP 74 -3.095 1.605 -5.580 523 2HB ASP 74 2HB ASP 74 -3.698 -0.061 -5.818 524 H PHE 75 H PHE 75 -0.926 2.433 -5.492 525 HA PHE 75 HA PHE 75 0.545 2.917 -2.953 526 1HB PHE 75 1HB PHE 75 -0.387 5.009 -5.005 527 2HB PHE 75 2HB PHE 75 1.033 4.022 -5.233 528 HD1 PHE 75 HD1 PHE 75 2.960 4.232 -3.426 529 HD2 PHE 75 HD2 PHE 75 -0.351 6.978 -3.574 530 HE1 PHE 75 HE1 PHE 75 4.357 5.987 -2.416 531 HE2 PHE 75 HE2 PHE 75 1.067 8.723 -2.569 532 HZ PHE 75 HZ PHE 75 3.430 8.247 -2.032 533 H GLU 76 H GLU 76 -2.667 3.540 -4.258 534 HA GLU 76 HA GLU 76 -3.653 5.435 -2.260 535 1HB GLU 76 1HB GLU 76 -5.178 3.545 -4.121 536 2HB GLU 76 2HB GLU 76 -5.980 4.666 -3.039 537 1HG GLU 76 1HG GLU 76 -4.489 6.533 -4.250 538 2HG GLU 76 2HG GLU 76 -5.957 5.930 -5.000 539 H GLU 77 H GLU 77 -4.424 1.967 -2.660 540 HA GLU 77 HA GLU 77 -5.604 1.443 -0.045 541 1HB GLU 77 1HB GLU 77 -4.175 -0.433 -1.987 542 2HB GLU 77 2HB GLU 77 -4.814 -0.993 -0.455 543 1HG GLU 77 1HG GLU 77 -6.709 0.530 -2.304 544 2HG GLU 77 2HG GLU 77 -6.236 -1.095 -2.769 545 H PHE 78 H PHE 78 -2.286 1.723 -1.155 546 HA PHE 78 HA PHE 78 -0.906 0.407 1.055 547 1HB PHE 78 1HB PHE 78 0.522 0.642 -0.738 548 2HB PHE 78 2HB PHE 78 -0.097 2.199 -1.218 549 HD1 PHE 78 HD1 PHE 78 1.991 0.583 1.517 550 HD2 PHE 78 HD2 PHE 78 1.143 4.203 -0.648 551 HE1 PHE 78 HE1 PHE 78 4.084 1.580 2.344 552 HE2 PHE 78 HE2 PHE 78 3.240 5.184 0.188 553 HZ PHE 78 HZ PHE 78 4.690 3.894 1.719 554 H LEU 79 H LEU 79 -2.030 3.718 0.524 555 HA LEU 79 HA LEU 79 -0.863 4.904 3.012 556 1HB LEU 79 1HB LEU 79 -2.243 6.884 2.515 557 2HB LEU 79 2HB LEU 79 -3.186 6.004 1.332 558 HG LEU 79 HG LEU 79 -1.565 6.162 -0.338 559 1HD1 LEU 79 1HD1 LEU 79 0.707 6.479 1.726 560 2HD1 LEU 79 2HD1 LEU 79 0.237 4.936 0.989 561 3HD1 LEU 79 3HD1 LEU 79 0.883 6.245 -0.032 562 1HD2 LEU 79 1HD2 LEU 79 -0.635 8.436 -0.403 563 2HD2 LEU 79 2HD2 LEU 79 -2.193 8.530 0.456 564 3HD2 LEU 79 3HD2 LEU 79 -0.680 8.572 1.373 565 H VAL 80 H VAL 80 -3.850 3.346 1.992 566 HA VAL 80 HA VAL 80 -5.582 4.094 4.217 567 HB VAL 80 HB VAL 80 -6.097 2.868 1.877 568 1HG1 VAL 80 1HG1 VAL 80 -6.875 0.512 2.214 569 2HG1 VAL 80 2HG1 VAL 80 -5.129 0.638 2.464 570 3HG1 VAL 80 3HG1 VAL 80 -6.213 0.510 3.869 571 1HG2 VAL 80 1HG2 VAL 80 -7.901 2.488 4.357 572 2HG2 VAL 80 2HG2 VAL 80 -7.857 3.943 3.334 573 3HG2 VAL 80 3HG2 VAL 80 -8.417 2.408 2.654 574 H MET 81 H MET 81 -3.231 1.510 3.725 575 HA MET 81 HA MET 81 -3.952 -0.081 6.150 576 1HB MET 81 1HB MET 81 -2.024 -1.500 5.618 577 2HB MET 81 2HB MET 81 -3.010 -1.228 4.193 578 1HG MET 81 1HG MET 81 -1.355 0.066 3.092 579 2HG MET 81 2HG MET 81 -0.594 0.590 4.603 580 1HE MET 81 1HE MET 81 -0.173 -3.636 2.651 581 2HE MET 81 2HE MET 81 -1.697 -2.711 2.793 582 3HE MET 81 3HE MET 81 -0.415 -2.149 1.681 583 H MET 82 H MET 82 -1.628 2.412 5.257 584 HA MET 82 HA MET 82 0.223 2.192 7.509 585 1HB MET 82 1HB MET 82 -0.336 4.331 5.437 586 2HB MET 82 2HB MET 82 0.528 4.820 6.884 587 1HG MET 82 1HG MET 82 1.881 3.988 4.745 588 2HG MET 82 2HG MET 82 1.511 2.364 5.344 589 1HE MET 82 1HE MET 82 4.094 1.514 6.190 590 2HE MET 82 2HE MET 82 4.274 2.813 4.974 591 3HE MET 82 3HE MET 82 5.245 2.857 6.474 592 H VAL 83 H VAL 83 -2.540 4.385 6.930 593 HA VAL 83 HA VAL 83 -2.501 5.806 9.491 594 HB VAL 83 HB VAL 83 -4.681 5.419 7.406 595 1HG1 VAL 83 1HG1 VAL 83 -3.347 8.018 8.390 596 2HG1 VAL 83 2HG1 VAL 83 -2.742 7.079 7.018 597 3HG1 VAL 83 3HG1 VAL 83 -4.370 7.793 6.948 598 1HG2 VAL 83 1HG2 VAL 83 -6.243 6.864 8.601 599 2HG2 VAL 83 2HG2 VAL 83 -5.816 5.553 9.725 600 3HG2 VAL 83 3HG2 VAL 83 -5.086 7.152 9.926 601 NH1 ARG 84 NH1 ARG 84 -9.253 -1.481 8.095 602 NH2 ARG 84 NH2 ARG 84 -8.822 -1.002 5.916 603 H ARG 84 H ARG 84 -4.002 2.803 8.358 604 HA ARG 84 HA ARG 84 -5.727 2.021 10.505 605 1HB ARG 84 1HB ARG 84 -4.936 0.752 8.236 606 2HB ARG 84 2HB ARG 84 -3.881 -0.091 9.361 607 1HG ARG 84 1HG ARG 84 -5.694 -1.017 10.633 608 2HG ARG 84 2HG ARG 84 -6.874 0.121 9.979 609 1HD ARG 84 1HD ARG 84 -5.432 -1.947 8.199 610 2HD ARG 84 2HD ARG 84 -6.945 -2.309 9.027 611 HE ARG 84 HE ARG 84 -6.679 -0.093 6.929 612 1HH1 ARG 84 1HH1 ARG 84 -9.796 -1.277 5.746 613 2HH1 ARG 84 2HH1 ARG 84 -8.152 -0.652 5.223 614 1HH2 ARG 84 1HH2 ARG 84 -8.876 -1.663 9.031 615 2HH2 ARG 84 2HH2 ARG 84 -10.235 -1.549 7.803 616 H GLN 85 H GLN 85 -2.200 1.476 10.216 617 HA GLN 85 HA GLN 85 -1.919 0.124 12.854 618 1HB GLN 85 1HB GLN 85 0.653 1.111 11.994 619 2HB GLN 85 2HB GLN 85 -0.217 0.666 10.537 620 1HG GLN 85 1HG GLN 85 -0.213 -1.324 12.842 621 2HG GLN 85 2HG GLN 85 1.270 -1.114 11.934 622 1HE2 GLN 85 1HE2 GLN 85 -1.935 -3.073 10.195 623 2HE2 GLN 85 2HE2 GLN 85 -2.133 -2.087 11.731 624 H MET 86 H MET 86 -1.625 3.402 11.624 625 HA MET 86 HA MET 86 -0.092 4.698 13.702 626 1HB MET 86 1HB MET 86 -2.252 5.793 11.830 627 2HB MET 86 2HB MET 86 -1.507 6.811 13.049 628 1HG MET 86 1HG MET 86 0.811 6.066 11.993 629 2HG MET 86 2HG MET 86 -0.163 5.501 10.626 630 1HE MET 86 1HE MET 86 2.047 8.621 10.939 631 2HE MET 86 2HE MET 86 0.970 9.719 11.851 632 3HE MET 86 3HE MET 86 1.438 8.144 12.556 633 H LYS 87 H LYS 87 -3.654 4.799 13.346 634 HA LYS 87 HA LYS 87 -4.059 5.366 16.282 635 1HB LYS 87 1HB LYS 87 -5.434 6.140 13.967 636 2HB LYS 87 2HB LYS 87 -6.484 4.879 14.578 637 1HG LYS 87 1HG LYS 87 -6.438 6.130 16.865 638 2HG LYS 87 2HG LYS 87 -5.614 7.439 16.043 639 1HD LYS 87 1HD LYS 87 -7.729 8.284 15.701 640 2HD LYS 87 2HD LYS 87 -7.768 7.156 14.355 641 1HE LYS 87 1HE LYS 87 -9.770 6.548 15.354 642 2HE LYS 87 2HE LYS 87 -8.714 5.410 16.192 643 1HZ LYS 87 1HZ LYS 87 -8.544 7.477 17.853 644 2HZ LYS 87 2HZ LYS 87 -10.034 7.810 17.221 645 3HZ LYS 87 3HZ LYS 87 -9.756 6.359 17.962 646 H GLU 88 H GLU 88 -3.093 2.667 15.141 647 HA GLU 88 HA GLU 88 -5.096 0.603 15.489 648 1HB GLU 88 1HB GLU 88 -2.939 0.117 14.450 649 2HB GLU 88 2HB GLU 88 -2.070 0.464 15.932 650 1HG GLU 88 1HG GLU 88 -4.166 -1.772 15.935 651 2HG GLU 88 2HG GLU 88 -2.608 -2.056 15.178 652 H ASP 89 H ASP 89 -2.512 1.392 17.834 653 HA ASP 89 HA ASP 89 -4.011 0.294 20.153 654 1HB ASP 89 1HB ASP 89 -1.335 1.767 19.959 655 2HB ASP 89 2HB ASP 89 -1.619 0.064 20.232 656 H ALA 90 H ALA 90 -2.457 3.448 20.297 657 HA ALA 90 HA ALA 90 -4.840 5.180 20.284 658 1HB ALA 90 1HB ALA 90 -3.928 4.170 23.050 659 2HB ALA 90 2HB ALA 90 -4.793 5.705 22.843 660 3HB ALA 90 3HB ALA 90 -5.578 4.176 22.379 Start of MODEL 4 Raw file had 660 H/Q atoms Start of MODEL 4 1 1H ALA 1 1H ALA 1 -24.057 3.357 3.411 2 2H ALA 1 2H ALA 1 -23.714 4.944 2.973 3 3H ALA 1 3H ALA 1 -22.516 3.768 2.876 4 HA ALA 1 HA ALA 1 -22.593 5.445 4.830 5 1HB ALA 1 1HB ALA 1 -24.255 3.240 6.126 6 2HB ALA 1 2HB ALA 1 -24.056 4.933 6.617 7 3HB ALA 1 3HB ALA 1 -25.098 4.526 5.229 8 H SER 2 H SER 2 -21.138 4.861 6.492 9 HA SER 2 HA SER 2 -19.401 3.612 7.611 10 1HB SER 2 1HB SER 2 -20.263 1.018 6.295 11 2HB SER 2 2HB SER 2 -19.638 1.310 7.920 12 HG SER 2 HG SER 2 -21.897 0.894 7.789 13 H MET 3 H MET 3 -17.613 4.379 6.683 14 HA MET 3 HA MET 3 -15.610 4.475 5.348 15 1HB MET 3 1HB MET 3 -16.361 1.698 4.284 16 2HB MET 3 2HB MET 3 -14.776 2.448 4.314 17 1HG MET 3 1HG MET 3 -14.363 1.851 6.514 18 2HG MET 3 2HG MET 3 -16.022 2.182 7.039 19 1HE MET 3 1HE MET 3 -18.059 -0.300 7.055 20 2HE MET 3 2HE MET 3 -16.838 -1.088 8.098 21 3HE MET 3 3HE MET 3 -17.026 0.690 8.134 22 H THR 4 H THR 4 -17.920 5.715 4.484 23 HA THR 4 HA THR 4 -18.823 5.369 1.772 24 HB THR 4 HB THR 4 -18.233 8.150 2.851 25 HG1 THR 4 HG1 THR 4 -20.666 7.107 3.452 26 1HG2 THR 4 1HG2 THR 4 -20.359 8.785 1.775 27 2HG2 THR 4 2HG2 THR 4 -19.286 8.062 0.556 28 3HG2 THR 4 3HG2 THR 4 -20.649 7.123 1.218 29 H ASP 5 H ASP 5 -15.767 6.516 3.059 30 HA ASP 5 HA ASP 5 -14.264 5.989 0.575 31 1HB ASP 5 1HB ASP 5 -13.511 8.463 0.229 32 2HB ASP 5 2HB ASP 5 -15.002 7.904 -0.493 33 H GLN 6 H GLN 6 -13.546 4.839 2.587 34 HA GLN 6 HA GLN 6 -11.929 6.124 4.683 35 1HB GLN 6 1HB GLN 6 -10.969 3.879 5.106 36 2HB GLN 6 2HB GLN 6 -12.720 3.852 5.003 37 1HG GLN 6 1HG GLN 6 -12.760 2.649 2.968 38 2HG GLN 6 2HG GLN 6 -11.167 3.179 2.471 39 1HE2 GLN 6 1HE2 GLN 6 -10.911 0.398 5.541 40 2HE2 GLN 6 2HE2 GLN 6 -11.978 1.882 5.705 41 H GLN 7 H GLN 7 -11.289 5.003 1.403 42 HA GLN 7 HA GLN 7 -8.439 4.857 1.257 43 1HB GLN 7 1HB GLN 7 -8.909 5.951 -1.202 44 2HB GLN 7 2HB GLN 7 -9.169 4.265 -0.791 45 1HG GLN 7 1HG GLN 7 -11.578 4.585 -0.507 46 2HG GLN 7 2HG GLN 7 -11.436 6.329 -0.569 47 1HE2 GLN 7 1HE2 GLN 7 -10.752 4.395 -4.207 48 2HE2 GLN 7 2HE2 GLN 7 -10.006 3.756 -2.658 49 H ALA 8 H ALA 8 -10.378 7.749 0.378 50 HA ALA 8 HA ALA 8 -8.142 9.613 0.127 51 1HB ALA 8 1HB ALA 8 -9.939 10.537 -0.935 52 2HB ALA 8 2HB ALA 8 -11.133 9.819 0.163 53 3HB ALA 8 3HB ALA 8 -10.268 11.303 0.637 54 H GLU 9 H GLU 9 -10.151 8.594 2.833 55 HA GLU 9 HA GLU 9 -9.742 10.684 4.761 56 1HB GLU 9 1HB GLU 9 -10.848 8.030 4.816 57 2HB GLU 9 2HB GLU 9 -9.733 8.132 6.164 58 1HG GLU 9 1HG GLU 9 -11.740 8.857 7.154 59 2HG GLU 9 2HG GLU 9 -10.976 10.392 6.778 60 H ALA 10 H ALA 10 -7.694 7.935 3.881 61 HA ALA 10 HA ALA 10 -5.778 7.935 6.056 62 1HB ALA 10 1HB ALA 10 -4.267 6.703 4.507 63 2HB ALA 10 2HB ALA 10 -5.925 6.079 4.425 64 3HB ALA 10 3HB ALA 10 -5.301 7.118 3.119 65 NH1 ARG 11 NH1 ARG 11 -6.306 13.988 -2.835 66 NH2 ARG 11 NH2 ARG 11 -7.618 15.452 -1.696 67 H ARG 11 H ARG 11 -5.668 9.570 2.881 68 HA ARG 11 HA ARG 11 -3.098 10.969 3.234 69 1HB ARG 11 1HB ARG 11 -3.395 11.714 1.105 70 2HB ARG 11 2HB ARG 11 -4.685 10.521 1.072 71 1HG ARG 11 1HG ARG 11 -6.350 12.342 1.767 72 2HG ARG 11 2HG ARG 11 -5.055 13.530 1.605 73 1HD ARG 11 1HD ARG 11 -5.913 11.663 -0.700 74 2HD ARG 11 2HD ARG 11 -4.771 13.000 -0.814 75 HE ARG 11 HE ARG 11 -7.584 13.707 0.074 76 1HH1 ARG 11 1HH1 ARG 11 -6.379 14.650 -3.615 77 2HH1 ARG 11 2HH1 ARG 11 -5.817 13.086 -2.838 78 1HH2 ARG 11 1HH2 ARG 11 -8.142 15.658 -0.838 79 2HH2 ARG 11 2HH2 ARG 11 -7.585 16.022 -2.548 80 H ALA 12 H ALA 12 -6.459 11.735 3.974 81 HA ALA 12 HA ALA 12 -6.522 14.519 4.450 82 1HB ALA 12 1HB ALA 12 -8.279 14.120 6.163 83 2HB ALA 12 2HB ALA 12 -8.514 13.076 4.747 84 3HB ALA 12 3HB ALA 12 -7.847 12.395 6.251 85 H PHE 13 H PHE 13 -5.001 12.014 6.415 86 HA PHE 13 HA PHE 13 -4.378 13.798 8.741 87 1HB PHE 13 1HB PHE 13 -4.865 11.307 8.954 88 2HB PHE 13 2HB PHE 13 -3.348 10.954 8.169 89 HD1 PHE 13 HD1 PHE 13 -4.196 13.549 10.834 90 HD2 PHE 13 HD2 PHE 13 -1.876 10.068 9.816 91 HE1 PHE 13 HE1 PHE 13 -3.088 13.631 13.030 92 HE2 PHE 13 HE2 PHE 13 -0.752 10.192 12.001 93 HZ PHE 13 HZ PHE 13 -1.359 11.963 13.613 94 H LEU 14 H LEU 14 -2.640 12.241 6.056 95 HA LEU 14 HA LEU 14 0.045 13.337 6.722 96 1HB LEU 14 1HB LEU 14 -0.582 12.401 3.909 97 2HB LEU 14 2HB LEU 14 0.871 12.187 4.861 98 HG LEU 14 HG LEU 14 -1.762 10.620 5.126 99 1HD1 LEU 14 1HD1 LEU 14 0.709 10.296 6.944 100 2HD1 LEU 14 2HD1 LEU 14 -0.787 11.112 7.432 101 3HD1 LEU 14 3HD1 LEU 14 -0.814 9.376 7.034 102 1HD2 LEU 14 1HD2 LEU 14 -0.437 8.655 4.466 103 2HD2 LEU 14 2HD2 LEU 14 -0.108 9.940 3.277 104 3HD2 LEU 14 3HD2 LEU 14 1.083 9.582 4.536 105 H SER 15 H SER 15 1.219 14.770 5.261 106 HA SER 15 HA SER 15 -0.483 17.115 4.311 107 1HB SER 15 1HB SER 15 2.073 18.100 4.241 108 2HB SER 15 2HB SER 15 1.009 18.177 5.648 109 HG SER 15 HG SER 15 3.183 17.275 5.902 110 H GLU 16 H GLU 16 0.421 18.291 2.393 111 HA GLU 16 HA GLU 16 0.278 16.632 -0.009 112 1HB GLU 16 1HB GLU 16 -0.389 19.048 0.097 113 2HB GLU 16 2HB GLU 16 0.565 18.594 -1.303 114 1HG GLU 16 1HG GLU 16 2.579 19.707 -0.394 115 2HG GLU 16 2HG GLU 16 1.811 19.957 1.165 116 H GLU 17 H GLU 17 2.976 18.395 1.503 117 HA GLU 17 HA GLU 17 5.065 17.508 -0.388 118 1HB GLU 17 1HB GLU 17 6.656 18.648 0.856 119 2HB GLU 17 2HB GLU 17 5.192 19.567 1.142 120 1HG GLU 17 1HG GLU 17 6.164 17.443 3.150 121 2HG GLU 17 2HG GLU 17 4.963 18.694 3.420 122 H MET 18 H MET 18 3.950 16.371 2.782 123 HA MET 18 HA MET 18 5.985 14.395 3.386 124 1HB MET 18 1HB MET 18 3.066 14.644 4.250 125 2HB MET 18 2HB MET 18 4.523 14.969 5.170 126 1HG MET 18 1HG MET 18 3.019 12.446 4.923 127 2HG MET 18 2HG MET 18 4.718 12.185 4.499 128 1HE MET 18 1HE MET 18 4.140 15.313 7.113 129 2HE MET 18 2HE MET 18 2.601 14.448 6.825 130 3HE MET 18 3HE MET 18 3.397 14.342 8.423 131 H ILE 19 H ILE 19 3.092 14.282 1.373 132 HA ILE 19 HA ILE 19 2.877 11.396 0.944 133 HB ILE 19 HB ILE 19 1.887 13.757 -0.712 134 1HG1 ILE 19 1HG1 ILE 19 0.307 13.646 0.980 135 2HG1 ILE 19 2HG1 ILE 19 -0.382 12.415 -0.057 136 1HG2 ILE 19 1HG2 ILE 19 0.652 12.172 -2.207 137 2HG2 ILE 19 2HG2 ILE 19 2.390 11.916 -2.349 138 3HG2 ILE 19 3HG2 ILE 19 1.409 10.779 -1.395 139 1HD1 ILE 19 1HD1 ILE 19 1.343 11.820 2.418 140 2HD1 ILE 19 2HD1 ILE 19 -0.405 11.578 2.225 141 3HD1 ILE 19 3HD1 ILE 19 0.732 10.586 1.282 142 H ALA 20 H ALA 20 4.576 13.984 -0.826 143 HA ALA 20 HA ALA 20 5.606 12.518 -3.070 144 1HB ALA 20 1HB ALA 20 6.436 15.043 -1.637 145 2HB ALA 20 2HB ALA 20 7.603 14.335 -2.770 146 3HB ALA 20 3HB ALA 20 5.979 14.796 -3.339 147 H GLU 21 H GLU 21 6.737 12.708 0.262 148 HA GLU 21 HA GLU 21 9.409 11.520 -0.117 149 1HB GLU 21 1HB GLU 21 7.697 11.967 2.370 150 2HB GLU 21 2HB GLU 21 9.221 11.105 2.457 151 1HG GLU 21 1HG GLU 21 10.210 13.293 1.225 152 2HG GLU 21 2HG GLU 21 8.734 14.052 1.796 153 H PHE 22 H PHE 22 6.205 10.269 0.701 154 HA PHE 22 HA PHE 22 6.935 7.506 1.382 155 1HB PHE 22 1HB PHE 22 4.292 8.720 0.401 156 2HB PHE 22 2HB PHE 22 4.451 7.016 0.736 157 HD1 PHE 22 HD1 PHE 22 6.364 7.287 3.224 158 HD2 PHE 22 HD2 PHE 22 2.742 9.342 2.135 159 HE1 PHE 22 HE1 PHE 22 5.900 7.747 5.594 160 HE2 PHE 22 HE2 PHE 22 2.285 9.773 4.515 161 HZ PHE 22 HZ PHE 22 3.872 9.001 6.245 162 H LYS 23 H LYS 23 6.207 9.216 -1.614 163 HA LYS 23 HA LYS 23 6.020 6.892 -3.442 164 1HB LYS 23 1HB LYS 23 5.112 9.223 -3.945 165 2HB LYS 23 2HB LYS 23 6.752 9.798 -4.161 166 1HG LYS 23 1HG LYS 23 6.059 9.408 -6.361 167 2HG LYS 23 2HG LYS 23 6.990 7.963 -6.018 168 1HD LYS 23 1HD LYS 23 3.910 8.066 -5.779 169 2HD LYS 23 2HD LYS 23 4.932 6.644 -5.636 170 1HE LYS 23 1HE LYS 23 4.093 6.462 -7.845 171 2HE LYS 23 2HE LYS 23 4.228 8.190 -8.179 172 1HZ LYS 23 1HZ LYS 23 6.491 7.990 -8.584 173 2HZ LYS 23 2HZ LYS 23 6.688 6.629 -7.669 174 3HZ LYS 23 3HZ LYS 23 5.956 6.532 -9.146 175 H ALA 24 H ALA 24 8.599 8.966 -2.218 176 HA ALA 24 HA ALA 24 10.786 8.443 -3.979 177 1HB ALA 24 1HB ALA 24 12.292 8.974 -2.072 178 2HB ALA 24 2HB ALA 24 10.920 10.096 -2.137 179 3HB ALA 24 3HB ALA 24 10.949 8.795 -0.919 180 H ALA 25 H ALA 25 9.562 6.487 -1.279 181 HA ALA 25 HA ALA 25 11.736 4.411 -1.463 182 1HB ALA 25 1HB ALA 25 10.538 3.308 0.418 183 2HB ALA 25 2HB ALA 25 10.837 5.021 0.764 184 3HB ALA 25 3HB ALA 25 9.204 4.481 0.299 185 H PHE 26 H PHE 26 8.383 4.875 -2.427 186 HA PHE 26 HA PHE 26 7.590 2.124 -3.002 187 1HB PHE 26 1HB PHE 26 6.531 4.602 -4.476 188 2HB PHE 26 2HB PHE 26 6.083 4.236 -2.831 189 HD1 PHE 26 HD1 PHE 26 5.225 1.600 -2.525 190 HD2 PHE 26 HD2 PHE 26 5.137 3.814 -6.213 191 HE1 PHE 26 HE1 PHE 26 3.381 0.188 -3.342 192 HE2 PHE 26 HE2 PHE 26 3.308 2.377 -7.021 193 HZ PHE 26 HZ PHE 26 2.441 0.553 -5.598 194 H ASP 27 H ASP 27 9.412 4.548 -4.790 195 HA ASP 27 HA ASP 27 9.356 3.218 -7.432 196 1HB ASP 27 1HB ASP 27 9.819 5.731 -6.982 197 2HB ASP 27 2HB ASP 27 11.447 5.271 -6.541 198 H MET 28 H MET 28 11.535 3.220 -4.652 199 HA MET 28 HA MET 28 13.903 1.998 -5.707 200 1HB MET 28 1HB MET 28 13.893 0.781 -3.251 201 2HB MET 28 2HB MET 28 12.678 2.009 -2.951 202 1HG MET 28 1HG MET 28 15.644 2.378 -3.533 203 2HG MET 28 2HG MET 28 14.537 3.673 -4.012 204 1HE MET 28 1HE MET 28 13.044 1.727 -0.694 205 2HE MET 28 2HE MET 28 14.562 0.985 -1.281 206 3HE MET 28 3HE MET 28 14.546 1.867 0.274 207 H PHE 29 H PHE 29 10.818 0.558 -4.786 208 HA PHE 29 HA PHE 29 11.714 -2.274 -5.402 209 1HB PHE 29 1HB PHE 29 8.933 -1.256 -4.528 210 2HB PHE 29 2HB PHE 29 9.365 -2.926 -4.772 211 HD1 PHE 29 HD1 PHE 29 8.818 -0.666 -2.227 212 HD2 PHE 29 HD2 PHE 29 11.799 -3.536 -3.415 213 HE1 PHE 29 HE1 PHE 29 9.549 -0.894 0.112 214 HE2 PHE 29 HE2 PHE 29 12.523 -3.736 -1.072 215 HZ PHE 29 HZ PHE 29 11.398 -2.427 0.693 216 H ASP 30 H ASP 30 9.711 0.327 -6.693 217 HA ASP 30 HA ASP 30 8.603 -1.253 -8.971 218 1HB ASP 30 1HB ASP 30 7.562 0.890 -7.780 219 2HB ASP 30 2HB ASP 30 8.554 1.792 -8.904 220 H ALA 31 H ALA 31 10.273 -2.066 -10.124 221 HA ALA 31 HA ALA 31 12.749 -0.623 -10.852 222 1HB ALA 31 1HB ALA 31 13.262 -2.645 -12.227 223 2HB ALA 31 2HB ALA 31 12.723 -3.082 -10.594 224 3HB ALA 31 3HB ALA 31 11.614 -3.269 -11.977 225 H ASP 32 H ASP 32 9.630 -1.172 -12.369 226 HA ASP 32 HA ASP 32 10.457 -0.175 -15.093 227 1HB ASP 32 1HB ASP 32 7.709 -0.283 -15.283 228 2HB ASP 32 2HB ASP 32 7.961 -1.440 -13.996 229 H GLY 33 H GLY 33 8.170 0.836 -12.526 230 1HA GLY 33 1HA GLY 33 8.278 3.244 -11.637 231 2HA GLY 33 2HA GLY 33 8.660 3.763 -13.282 232 H GLY 34 H GLY 34 6.250 1.291 -12.636 233 1HA GLY 34 1HA GLY 34 4.057 2.799 -14.018 234 2HA GLY 34 2HA GLY 34 3.918 1.188 -13.307 235 H GLY 35 H GLY 35 3.938 1.078 -10.906 236 1HA GLY 35 1HA GLY 35 3.648 2.887 -8.838 237 2HA GLY 35 2HA GLY 35 2.151 3.230 -9.710 238 H ASP 36 H ASP 36 3.809 0.123 -9.240 239 HA ASP 36 HA ASP 36 1.747 -0.963 -7.334 240 1HB ASP 36 1HB ASP 36 1.311 -2.947 -9.068 241 2HB ASP 36 2HB ASP 36 1.723 -1.751 -10.274 242 H ILE 37 H ILE 37 2.339 -2.980 -6.493 243 HA ILE 37 HA ILE 37 5.000 -4.248 -7.245 244 HB ILE 37 HB ILE 37 5.115 -4.111 -4.408 245 1HG1 ILE 37 1HG1 ILE 37 3.591 -1.972 -4.748 246 2HG1 ILE 37 2HG1 ILE 37 4.999 -1.227 -5.472 247 1HG2 ILE 37 1HG2 ILE 37 7.332 -3.041 -4.823 248 2HG2 ILE 37 2HG2 ILE 37 7.052 -4.337 -5.995 249 3HG2 ILE 37 3HG2 ILE 37 6.867 -2.639 -6.494 250 1HD1 ILE 37 1HD1 ILE 37 6.329 -1.429 -3.393 251 2HD1 ILE 37 2HD1 ILE 37 4.782 -0.614 -3.072 252 3HD1 ILE 37 3HD1 ILE 37 4.999 -2.315 -2.598 253 H SER 38 H SER 38 5.219 -6.064 -5.303 254 HA SER 38 HA SER 38 2.782 -7.820 -5.578 255 1HB SER 38 1HB SER 38 5.049 -8.823 -3.909 256 2HB SER 38 2HB SER 38 5.499 -8.372 -5.556 257 HG SER 38 HG SER 38 4.758 -10.290 -5.908 258 H THR 39 H THR 39 1.763 -8.791 -3.777 259 HA THR 39 HA THR 39 1.261 -6.933 -1.475 260 HB THR 39 HB THR 39 -0.723 -7.950 -1.131 261 HG1 THR 39 HG1 THR 39 -1.062 -10.104 -1.180 262 1HG2 THR 39 1HG2 THR 39 -1.813 -8.850 -3.139 263 2HG2 THR 39 2HG2 THR 39 -0.745 -7.512 -3.624 264 3HG2 THR 39 3HG2 THR 39 -0.248 -9.202 -3.907 265 H LYS 40 H LYS 40 2.866 -9.998 -2.113 266 HA LYS 40 HA LYS 40 3.367 -10.925 0.609 267 1HB LYS 40 1HB LYS 40 3.961 -11.918 -1.908 268 2HB LYS 40 2HB LYS 40 5.556 -11.392 -1.415 269 1HG LYS 40 1HG LYS 40 5.695 -12.960 0.350 270 2HG LYS 40 2HG LYS 40 3.958 -13.077 0.552 271 1HD LYS 40 1HD LYS 40 4.328 -15.145 -0.459 272 2HD LYS 40 2HD LYS 40 4.029 -14.177 -1.894 273 1HE LYS 40 1HE LYS 40 6.806 -14.970 -0.828 274 2HE LYS 40 2HE LYS 40 6.017 -15.617 -2.268 275 1HZ LYS 40 1HZ LYS 40 6.080 -13.307 -3.188 276 2HZ LYS 40 2HZ LYS 40 6.948 -12.814 -1.871 277 3HZ LYS 40 3HZ LYS 40 7.581 -13.938 -2.903 278 H GLU 41 H GLU 41 4.941 -8.559 -1.475 279 HA GLU 41 HA GLU 41 7.235 -8.086 0.428 280 1HB GLU 41 1HB GLU 41 8.245 -6.727 -1.260 281 2HB GLU 41 2HB GLU 41 6.744 -6.514 -2.139 282 1HG GLU 41 1HG GLU 41 6.827 -9.120 -2.577 283 2HG GLU 41 2HG GLU 41 7.894 -8.065 -3.488 284 H LEU 42 H LEU 42 4.230 -6.600 -0.615 285 HA LEU 42 HA LEU 42 4.278 -3.924 0.062 286 1HB LEU 42 1HB LEU 42 2.180 -4.628 -0.658 287 2HB LEU 42 2HB LEU 42 2.145 -6.035 0.385 288 HG LEU 42 HG LEU 42 1.647 -4.579 2.380 289 1HD1 LEU 42 1HD1 LEU 42 1.054 -2.159 2.062 290 2HD1 LEU 42 2HD1 LEU 42 2.756 -2.460 1.677 291 3HD1 LEU 42 3HD1 LEU 42 1.577 -2.240 0.360 292 1HD2 LEU 42 1HD2 LEU 42 -0.316 -4.137 0.029 293 2HD2 LEU 42 2HD2 LEU 42 -0.271 -5.559 1.102 294 3HD2 LEU 42 3HD2 LEU 42 -0.701 -3.970 1.762 295 H GLY 43 H GLY 43 4.220 -6.622 2.366 296 1HA GLY 43 1HA GLY 43 4.427 -6.697 4.811 297 2HA GLY 43 2HA GLY 43 3.920 -5.006 4.839 298 H THR 44 H THR 44 6.708 -6.676 3.307 299 HA THR 44 HA THR 44 8.866 -5.849 4.882 300 HB THR 44 HB THR 44 8.690 -6.343 1.919 301 HG1 THR 44 HG1 THR 44 8.955 -8.040 3.257 302 1HG2 THR 44 1HG2 THR 44 11.142 -5.977 1.617 303 2HG2 THR 44 2HG2 THR 44 10.298 -4.444 1.923 304 3HG2 THR 44 3HG2 THR 44 11.242 -5.214 3.223 305 H VAL 45 H VAL 45 6.884 -3.946 2.707 306 HA VAL 45 HA VAL 45 8.653 -1.549 2.587 307 HB VAL 45 HB VAL 45 5.756 -1.884 1.654 308 1HG1 VAL 45 1HG1 VAL 45 8.304 -1.832 -0.080 309 2HG1 VAL 45 2HG1 VAL 45 7.511 -3.325 0.436 310 3HG1 VAL 45 3HG1 VAL 45 6.635 -2.179 -0.604 311 1HG2 VAL 45 1HG2 VAL 45 5.962 0.196 0.394 312 2HG2 VAL 45 2HG2 VAL 45 6.423 0.580 2.068 313 3HG2 VAL 45 3HG2 VAL 45 7.678 0.386 0.837 314 H MET 46 H MET 46 5.675 -2.535 4.276 315 HA MET 46 HA MET 46 5.198 -0.092 5.832 316 1HB MET 46 1HB MET 46 3.444 -1.200 6.706 317 2HB MET 46 2HB MET 46 3.818 -2.453 5.536 318 1HG MET 46 1HG MET 46 4.904 -2.481 8.425 319 2HG MET 46 2HG MET 46 5.040 -3.785 7.234 320 1HE MET 46 1HE MET 46 1.422 -1.655 7.504 321 2HE MET 46 2HE MET 46 1.094 -2.250 9.159 322 3HE MET 46 3HE MET 46 2.569 -1.295 8.832 323 NH1 ARG 47 NH1 ARG 47 13.965 -5.806 8.116 324 NH2 ARG 47 NH2 ARG 47 13.644 -7.021 10.009 325 H ARG 47 H ARG 47 7.583 -2.611 6.067 326 HA ARG 47 HA ARG 47 8.277 -2.055 8.983 327 1HB ARG 47 1HB ARG 47 8.118 -4.447 8.083 328 2HB ARG 47 2HB ARG 47 9.507 -4.108 7.060 329 1HG ARG 47 1HG ARG 47 9.945 -3.462 9.966 330 2HG ARG 47 2HG ARG 47 9.670 -5.171 9.618 331 1HD ARG 47 1HD ARG 47 11.927 -3.371 8.582 332 2HD ARG 47 2HD ARG 47 11.484 -4.811 7.669 333 HE ARG 47 HE ARG 47 12.061 -5.228 10.615 334 1HH1 ARG 47 1HH1 ARG 47 14.785 -6.404 7.964 335 2HH1 ARG 47 2HH1 ARG 47 13.622 -5.063 7.496 336 1HH2 ARG 47 1HH2 ARG 47 13.054 -7.209 10.827 337 2HH2 ARG 47 2HH2 ARG 47 14.489 -7.532 9.730 338 H MET 48 H MET 48 9.407 -1.565 5.692 339 HA MET 48 HA MET 48 12.112 -0.500 6.512 340 1HB MET 48 1HB MET 48 11.872 -1.888 4.436 341 2HB MET 48 2HB MET 48 10.804 -0.686 3.735 342 1HG MET 48 1HG MET 48 13.173 -0.593 2.850 343 2HG MET 48 2HG MET 48 12.614 0.953 3.506 344 1HE MET 48 1HE MET 48 15.468 -2.073 4.290 345 2HE MET 48 2HE MET 48 15.320 -0.930 2.923 346 3HE MET 48 3HE MET 48 16.525 -0.630 4.208 347 H LEU 49 H LEU 49 9.273 0.765 7.055 348 HA LEU 49 HA LEU 49 9.922 3.607 6.115 349 1HB LEU 49 1HB LEU 49 7.509 4.036 7.077 350 2HB LEU 49 2HB LEU 49 7.323 2.296 7.069 351 HG LEU 49 HG LEU 49 8.015 2.443 4.501 352 1HD1 LEU 49 1HD1 LEU 49 6.985 5.325 4.895 353 2HD1 LEU 49 2HD1 LEU 49 8.684 4.904 4.612 354 3HD1 LEU 49 3HD1 LEU 49 7.466 4.560 3.359 355 1HD2 LEU 49 1HD2 LEU 49 5.653 2.629 3.844 356 2HD2 LEU 49 2HD2 LEU 49 5.697 1.819 5.429 357 3HD2 LEU 49 3HD2 LEU 49 5.246 3.528 5.328 358 H GLY 50 H GLY 50 9.291 1.505 8.883 359 1HA GLY 50 1HA GLY 50 11.040 2.293 10.867 360 2HA GLY 50 2HA GLY 50 9.982 3.708 10.867 361 H GLN 51 H GLN 51 9.360 0.209 10.544 362 HA GLN 51 HA GLN 51 7.446 0.290 12.947 363 1HB GLN 51 1HB GLN 51 6.495 0.224 10.353 364 2HB GLN 51 2HB GLN 51 6.687 -1.495 10.650 365 1HG GLN 51 1HG GLN 51 4.378 -0.632 11.166 366 2HG GLN 51 2HG GLN 51 5.120 -1.498 12.496 367 1HE2 GLN 51 1HE2 GLN 51 4.078 2.454 12.968 368 2HE2 GLN 51 2HE2 GLN 51 3.795 1.513 11.419 369 H ASN 52 H ASN 52 6.915 -2.006 13.605 370 HA ASN 52 HA ASN 52 9.373 -3.796 13.411 371 1HB ASN 52 1HB ASN 52 8.040 -3.507 16.111 372 2HB ASN 52 2HB ASN 52 9.018 -2.165 15.560 373 1HD2 ASN 52 1HD2 ASN 52 10.744 -5.643 16.938 374 2HD2 ASN 52 2HD2 ASN 52 8.934 -5.470 16.693 375 HA PRO 53 HA PRO 53 5.112 -6.216 13.469 376 1HB PRO 53 1HB PRO 53 4.637 -6.764 10.813 377 2HB PRO 53 2HB PRO 53 4.142 -5.264 11.612 378 1HG PRO 53 1HG PRO 53 6.612 -5.711 9.866 379 2HG PRO 53 2HG PRO 53 5.437 -4.378 9.778 380 1HD PRO 53 1HD PRO 53 6.455 -3.241 11.617 381 2HD PRO 53 2HD PRO 53 7.881 -4.208 11.134 382 H THR 54 H THR 54 4.996 -8.464 13.378 383 HA THR 54 HA THR 54 7.592 -9.963 13.046 384 HB THR 54 HB THR 54 5.188 -11.553 13.801 385 HG1 THR 54 HG1 THR 54 6.212 -9.863 15.761 386 1HG2 THR 54 1HG2 THR 54 6.667 -12.415 15.587 387 2HG2 THR 54 2HG2 THR 54 7.510 -12.488 14.023 388 3HG2 THR 54 3HG2 THR 54 7.916 -11.209 15.196 389 H LYS 55 H LYS 55 7.548 -12.076 11.933 390 HA LYS 55 HA LYS 55 6.831 -11.725 9.085 391 1HB LYS 55 1HB LYS 55 7.954 -13.754 8.646 392 2HB LYS 55 2HB LYS 55 7.564 -14.465 10.197 393 1HG LYS 55 1HG LYS 55 9.277 -13.202 11.342 394 2HG LYS 55 2HG LYS 55 9.447 -12.053 10.031 395 1HD LYS 55 1HD LYS 55 10.685 -14.788 10.354 396 2HD LYS 55 2HD LYS 55 10.116 -14.426 8.733 397 1HE LYS 55 1HE LYS 55 11.448 -12.126 9.014 398 2HE LYS 55 2HE LYS 55 12.306 -12.970 10.305 399 1HZ LYS 55 1HZ LYS 55 12.537 -14.799 8.430 400 2HZ LYS 55 2HZ LYS 55 12.313 -13.513 7.417 401 3HZ LYS 55 3HZ LYS 55 13.570 -13.511 8.489 402 H GLU 56 H GLU 56 5.517 -13.529 11.829 403 HA GLU 56 HA GLU 56 3.551 -15.172 10.368 404 1HB GLU 56 1HB GLU 56 2.978 -16.080 12.361 405 2HB GLU 56 2HB GLU 56 4.514 -15.389 12.845 406 1HG GLU 56 1HG GLU 56 3.457 -13.569 14.057 407 2HG GLU 56 2HG GLU 56 1.911 -13.811 13.261 408 H GLU 57 H GLU 57 3.555 -11.953 11.796 409 HA GLU 57 HA GLU 57 0.632 -11.447 11.666 410 1HB GLU 57 1HB GLU 57 1.072 -9.196 12.317 411 2HB GLU 57 2HB GLU 57 2.723 -9.230 11.733 412 1HG GLU 57 1HG GLU 57 3.486 -10.586 13.606 413 2HG GLU 57 2HG GLU 57 1.852 -11.044 14.057 414 H LEU 58 H LEU 58 3.406 -10.977 9.545 415 HA LEU 58 HA LEU 58 2.196 -9.320 7.467 416 1HB LEU 58 1HB LEU 58 4.684 -9.852 7.724 417 2HB LEU 58 2HB LEU 58 4.379 -11.449 7.074 418 HG LEU 58 HG LEU 58 5.210 -9.339 5.555 419 1HD1 LEU 58 1HD1 LEU 58 4.443 -10.620 3.530 420 2HD1 LEU 58 2HD1 LEU 58 5.127 -11.698 4.755 421 3HD1 LEU 58 3HD1 LEU 58 3.361 -11.603 4.549 422 1HD2 LEU 58 1HD2 LEU 58 2.140 -9.285 5.181 423 2HD2 LEU 58 2HD2 LEU 58 3.129 -7.975 5.872 424 3HD2 LEU 58 3HD2 LEU 58 3.336 -8.432 4.172 425 H ASP 59 H ASP 59 2.169 -12.776 8.136 426 HA ASP 59 HA ASP 59 0.959 -13.718 5.636 427 1HB ASP 59 1HB ASP 59 1.170 -15.004 8.403 428 2HB ASP 59 2HB ASP 59 0.242 -15.760 7.128 429 H ALA 60 H ALA 60 -0.361 -12.623 8.738 430 HA ALA 60 HA ALA 60 -3.156 -13.425 8.324 431 1HB ALA 60 1HB ALA 60 -3.663 -11.944 10.261 432 2HB ALA 60 2HB ALA 60 -2.253 -12.971 10.584 433 3HB ALA 60 3HB ALA 60 -2.027 -11.246 10.197 434 H ILE 61 H ILE 61 -1.548 -10.230 8.087 435 HA ILE 61 HA ILE 61 -3.652 -8.585 7.179 436 HB ILE 61 HB ILE 61 -0.675 -8.434 6.802 437 1HG1 ILE 61 1HG1 ILE 61 -2.221 -7.448 8.789 438 2HG1 ILE 61 2HG1 ILE 61 -2.490 -6.128 7.671 439 1HG2 ILE 61 1HG2 ILE 61 -0.802 -6.387 5.357 440 2HG2 ILE 61 2HG2 ILE 61 -1.458 -7.788 4.511 441 3HG2 ILE 61 3HG2 ILE 61 -2.566 -6.582 5.206 442 1HD1 ILE 61 1HD1 ILE 61 -0.078 -5.568 7.560 443 2HD1 ILE 61 2HD1 ILE 61 -0.636 -5.616 9.246 444 3HD1 ILE 61 3HD1 ILE 61 0.318 -6.969 8.594 445 H ILE 62 H ILE 62 -1.667 -10.927 5.444 446 HA ILE 62 HA ILE 62 -2.494 -10.223 2.680 447 HB ILE 62 HB ILE 62 -0.649 -12.124 3.910 448 1HG1 ILE 62 1HG1 ILE 62 0.096 -12.049 1.248 449 2HG1 ILE 62 2HG1 ILE 62 -0.902 -10.611 1.290 450 1HG2 ILE 62 1HG2 ILE 62 -0.820 -14.016 2.273 451 2HG2 ILE 62 2HG2 ILE 62 -2.290 -13.905 3.238 452 3HG2 ILE 62 3HG2 ILE 62 -2.289 -13.299 1.566 453 1HD1 ILE 62 1HD1 ILE 62 1.567 -11.050 3.071 454 2HD1 ILE 62 2HD1 ILE 62 1.399 -9.942 1.693 455 3HD1 ILE 62 3HD1 ILE 62 0.468 -9.647 3.180 456 H GLU 63 H GLU 63 -3.494 -12.629 5.101 457 HA GLU 63 HA GLU 63 -5.612 -13.983 3.647 458 1HB GLU 63 1HB GLU 63 -5.652 -13.362 6.646 459 2HB GLU 63 2HB GLU 63 -4.686 -14.634 5.925 460 1HG GLU 63 1HG GLU 63 -6.949 -15.333 6.972 461 2HG GLU 63 2HG GLU 63 -7.755 -14.513 5.644 462 H GLU 64 H GLU 64 -5.444 -10.823 5.162 463 HA GLU 64 HA GLU 64 -8.325 -10.241 5.306 464 1HB GLU 64 1HB GLU 64 -6.235 -9.112 6.520 465 2HB GLU 64 2HB GLU 64 -6.265 -8.017 5.152 466 1HG GLU 64 1HG GLU 64 -8.443 -8.433 7.279 467 2HG GLU 64 2HG GLU 64 -7.533 -6.973 6.930 468 H VAL 65 H VAL 65 -5.836 -8.707 3.240 469 HA VAL 65 HA VAL 65 -7.705 -7.360 1.450 470 HB VAL 65 HB VAL 65 -5.142 -6.911 1.854 471 1HG1 VAL 65 1HG1 VAL 65 -3.630 -7.691 0.020 472 2HG1 VAL 65 2HG1 VAL 65 -4.244 -9.066 0.957 473 3HG1 VAL 65 3HG1 VAL 65 -4.924 -8.715 -0.651 474 1HG2 VAL 65 1HG2 VAL 65 -6.395 -6.451 -0.941 475 2HG2 VAL 65 2HG2 VAL 65 -6.573 -5.393 0.480 476 3HG2 VAL 65 3HG2 VAL 65 -4.986 -5.589 -0.276 477 H ASP 66 H ASP 66 -5.663 -10.266 0.909 478 HA ASP 66 HA ASP 66 -7.364 -11.123 -1.439 479 1HB ASP 66 1HB ASP 66 -4.998 -12.758 -0.431 480 2HB ASP 66 2HB ASP 66 -4.705 -11.238 -1.245 481 H GLU 67 H GLU 67 -9.042 -11.170 0.443 482 HA GLU 67 HA GLU 67 -9.258 -13.696 2.021 483 1HB GLU 67 1HB GLU 67 -11.330 -12.955 2.812 484 2HB GLU 67 2HB GLU 67 -10.374 -11.495 2.652 485 1HG GLU 67 1HG GLU 67 -11.662 -10.674 0.811 486 2HG GLU 67 2HG GLU 67 -12.228 -12.270 0.347 487 H ASP 68 H ASP 68 -10.437 -12.436 -1.069 488 HA ASP 68 HA ASP 68 -10.635 -15.202 -2.222 489 1HB ASP 68 1HB ASP 68 -13.215 -13.633 -2.529 490 2HB ASP 68 2HB ASP 68 -12.947 -14.487 -1.026 491 H GLY 69 H GLY 69 -10.096 -15.158 -4.295 492 1HA GLY 69 1HA GLY 69 -10.640 -12.865 -6.167 493 2HA GLY 69 2HA GLY 69 -9.805 -14.365 -6.582 494 H SER 70 H SER 70 -8.053 -13.535 -7.543 495 HA SER 70 HA SER 70 -5.759 -12.591 -5.912 496 1HB SER 70 1HB SER 70 -5.064 -13.955 -7.665 497 2HB SER 70 2HB SER 70 -4.678 -12.351 -8.294 498 HG SER 70 HG SER 70 -7.035 -12.584 -9.102 499 H GLY 71 H GLY 71 -4.458 -10.678 -6.987 500 1HA GLY 71 1HA GLY 71 -6.053 -8.158 -6.602 501 2HA GLY 71 2HA GLY 71 -5.534 -8.382 -8.276 502 H THR 72 H THR 72 -4.360 -6.406 -7.872 503 HA THR 72 HA THR 72 -1.534 -6.981 -6.947 504 HB THR 72 HB THR 72 -0.732 -5.157 -8.287 505 HG1 THR 72 HG1 THR 72 -2.436 -4.128 -9.650 506 1HG2 THR 72 1HG2 THR 72 -0.838 -6.962 -9.811 507 2HG2 THR 72 2HG2 THR 72 -2.614 -7.022 -9.816 508 3HG2 THR 72 3HG2 THR 72 -1.761 -5.708 -10.668 509 H ILE 73 H ILE 73 -0.635 -4.404 -6.487 510 HA ILE 73 HA ILE 73 -2.404 -3.175 -4.376 511 HB ILE 73 HB ILE 73 0.230 -4.500 -3.779 512 1HG1 ILE 73 1HG1 ILE 73 -0.992 -5.091 -1.623 513 2HG1 ILE 73 2HG1 ILE 73 -1.652 -5.764 -3.102 514 1HG2 ILE 73 1HG2 ILE 73 0.692 -3.189 -1.741 515 2HG2 ILE 73 2HG2 ILE 73 0.705 -2.100 -3.135 516 3HG2 ILE 73 3HG2 ILE 73 -0.700 -2.123 -2.042 517 1HD1 ILE 73 1HD1 ILE 73 -3.655 -4.547 -2.986 518 2HD1 ILE 73 2HD1 ILE 73 -3.264 -4.670 -1.257 519 3HD1 ILE 73 3HD1 ILE 73 -2.907 -3.165 -2.138 520 H ASP 74 H ASP 74 -2.428 -1.064 -4.528 521 HA ASP 74 HA ASP 74 -0.381 0.346 -6.312 522 1HB ASP 74 1HB ASP 74 -2.345 2.177 -6.314 523 2HB ASP 74 2HB ASP 74 -2.276 0.852 -7.453 524 H PHE 75 H PHE 75 -0.461 2.843 -5.724 525 HA PHE 75 HA PHE 75 0.872 3.062 -3.064 526 1HB PHE 75 1HB PHE 75 0.292 5.208 -5.190 527 2HB PHE 75 2HB PHE 75 1.748 4.253 -5.082 528 HD1 PHE 75 HD1 PHE 75 3.366 4.656 -3.122 529 HD2 PHE 75 HD2 PHE 75 -0.119 7.119 -3.678 530 HE1 PHE 75 HE1 PHE 75 4.372 6.413 -1.724 531 HE2 PHE 75 HE2 PHE 75 0.909 8.868 -2.282 532 HZ PHE 75 HZ PHE 75 3.134 8.506 -1.276 533 H GLU 76 H GLU 76 -2.267 3.755 -4.452 534 HA GLU 76 HA GLU 76 -3.348 5.583 -2.439 535 1HB GLU 76 1HB GLU 76 -5.613 4.295 -3.270 536 2HB GLU 76 2HB GLU 76 -4.542 3.835 -4.578 537 1HG GLU 76 1HG GLU 76 -3.994 6.468 -4.703 538 2HG GLU 76 2HG GLU 76 -5.419 5.793 -5.473 539 H GLU 77 H GLU 77 -4.261 2.161 -2.871 540 HA GLU 77 HA GLU 77 -5.272 1.552 -0.254 541 1HB GLU 77 1HB GLU 77 -4.282 -0.873 -0.772 542 2HB GLU 77 2HB GLU 77 -3.961 -0.200 -2.358 543 1HG GLU 77 1HG GLU 77 -6.566 0.534 -2.242 544 2HG GLU 77 2HG GLU 77 -6.071 -1.065 -2.770 545 H PHE 78 H PHE 78 -1.964 1.806 -1.423 546 HA PHE 78 HA PHE 78 -0.514 0.501 0.716 547 1HB PHE 78 1HB PHE 78 0.719 0.958 -1.257 548 2HB PHE 78 2HB PHE 78 0.258 2.638 -1.317 549 HD1 PHE 78 HD1 PHE 78 2.654 0.195 0.063 550 HD2 PHE 78 HD2 PHE 78 1.387 4.299 0.308 551 HE1 PHE 78 HE1 PHE 78 4.784 0.799 1.138 552 HE2 PHE 78 HE2 PHE 78 3.535 4.889 1.357 553 HZ PHE 78 HZ PHE 78 5.247 3.150 1.746 554 H LEU 79 H LEU 79 -1.503 3.901 0.302 555 HA LEU 79 HA LEU 79 -0.429 4.946 2.847 556 1HB LEU 79 1HB LEU 79 -2.665 6.023 1.030 557 2HB LEU 79 2HB LEU 79 -2.079 6.865 2.447 558 HG LEU 79 HG LEU 79 -0.240 6.106 0.096 559 1HD1 LEU 79 1HD1 LEU 79 0.179 8.212 2.311 560 2HD1 LEU 79 2HD1 LEU 79 0.890 6.588 2.332 561 3HD1 LEU 79 3HD1 LEU 79 1.346 7.738 1.051 562 1HD2 LEU 79 1HD2 LEU 79 -0.501 8.380 -0.799 563 2HD2 LEU 79 2HD2 LEU 79 -2.135 7.694 -0.622 564 3HD2 LEU 79 3HD2 LEU 79 -1.540 8.865 0.565 565 H VAL 80 H VAL 80 -3.395 3.342 1.858 566 HA VAL 80 HA VAL 80 -5.095 4.032 4.136 567 HB VAL 80 HB VAL 80 -5.295 1.675 2.196 568 1HG1 VAL 80 1HG1 VAL 80 -7.043 4.210 2.315 569 2HG1 VAL 80 2HG1 VAL 80 -5.631 4.062 1.261 570 3HG1 VAL 80 3HG1 VAL 80 -7.010 2.960 1.044 571 1HG2 VAL 80 1HG2 VAL 80 -7.578 1.239 2.972 572 2HG2 VAL 80 2HG2 VAL 80 -6.519 1.149 4.399 573 3HG2 VAL 80 3HG2 VAL 80 -7.516 2.588 4.134 574 H MET 81 H MET 81 -2.730 1.489 3.518 575 HA MET 81 HA MET 81 -3.352 -0.238 5.830 576 1HB MET 81 1HB MET 81 -1.288 -1.447 5.336 577 2HB MET 81 2HB MET 81 -0.655 -0.122 4.377 578 1HG MET 81 1HG MET 81 -2.137 -0.561 2.526 579 2HG MET 81 2HG MET 81 -1.578 -2.150 3.072 580 1HE MET 81 1HE MET 81 -5.134 -3.051 1.976 581 2HE MET 81 2HE MET 81 -3.433 -2.799 1.485 582 3HE MET 81 3HE MET 81 -3.832 -4.037 2.712 583 H MET 82 H MET 82 -0.778 2.158 5.191 584 HA MET 82 HA MET 82 0.600 1.928 7.769 585 1HB MET 82 1HB MET 82 0.700 3.909 5.481 586 2HB MET 82 2HB MET 82 1.323 4.448 7.029 587 1HG MET 82 1HG MET 82 2.287 1.866 5.641 588 2HG MET 82 2HG MET 82 3.074 3.443 5.472 589 1HE MET 82 1HE MET 82 3.754 4.929 7.327 590 2HE MET 82 2HE MET 82 2.937 4.623 8.888 591 3HE MET 82 3HE MET 82 4.689 4.309 8.723 592 H VAL 83 H VAL 83 -2.121 3.839 6.623 593 HA VAL 83 HA VAL 83 -2.303 5.675 8.965 594 HB VAL 83 HB VAL 83 -4.151 5.130 6.611 595 1HG1 VAL 83 1HG1 VAL 83 -2.870 7.780 7.526 596 2HG1 VAL 83 2HG1 VAL 83 -2.103 6.683 6.369 597 3HG1 VAL 83 3HG1 VAL 83 -3.667 7.431 5.970 598 1HG2 VAL 83 1HG2 VAL 83 -5.813 6.738 7.393 599 2HG2 VAL 83 2HG2 VAL 83 -5.623 5.543 8.696 600 3HG2 VAL 83 3HG2 VAL 83 -4.861 7.133 8.847 601 NH1 ARG 84 NH1 ARG 84 -9.689 -0.768 7.545 602 NH2 ARG 84 NH2 ARG 84 -8.582 -1.182 5.605 603 H ARG 84 H ARG 84 -3.632 2.565 7.966 604 HA ARG 84 HA ARG 84 -5.701 2.114 9.955 605 1HB ARG 84 1HB ARG 84 -4.079 -0.312 9.296 606 2HB ARG 84 2HB ARG 84 -4.578 0.608 7.884 607 1HG ARG 84 1HG ARG 84 -6.245 -1.142 8.414 608 2HG ARG 84 2HG ARG 84 -6.472 -0.502 10.043 609 1HD ARG 84 1HD ARG 84 -8.222 0.694 9.155 610 2HD ARG 84 2HD ARG 84 -6.991 1.792 8.535 611 HE ARG 84 HE ARG 84 -7.351 0.929 6.298 612 1HH1 ARG 84 1HH1 ARG 84 -9.284 -1.915 5.453 613 2HH1 ARG 84 2HH1 ARG 84 -7.826 -0.913 4.966 614 1HH2 ARG 84 1HH2 ARG 84 -9.678 -0.322 8.469 615 2HH2 ARG 84 2HH2 ARG 84 -10.417 -1.387 7.169 616 H GLN 85 H GLN 85 -2.242 1.175 10.020 617 HA GLN 85 HA GLN 85 -2.314 0.068 12.776 618 1HB GLN 85 1HB GLN 85 -0.551 -0.184 10.640 619 2HB GLN 85 2HB GLN 85 0.342 0.918 11.672 620 1HG GLN 85 1HG GLN 85 0.430 -0.652 13.513 621 2HG GLN 85 2HG GLN 85 -0.813 -1.679 12.828 622 1HE2 GLN 85 1HE2 GLN 85 1.912 -3.720 11.666 623 2HE2 GLN 85 2HE2 GLN 85 0.410 -3.554 12.707 624 H MET 86 H MET 86 -1.488 3.155 11.291 625 HA MET 86 HA MET 86 0.055 4.479 13.320 626 1HB MET 86 1HB MET 86 -1.658 5.414 11.050 627 2HB MET 86 2HB MET 86 -1.516 6.572 12.360 628 1HG MET 86 1HG MET 86 0.321 6.272 10.273 629 2HG MET 86 2HG MET 86 1.122 5.379 11.575 630 1HE MET 86 1HE MET 86 2.689 7.734 13.736 631 2HE MET 86 2HE MET 86 1.182 7.122 14.478 632 3HE MET 86 3HE MET 86 2.137 6.063 13.400 633 H LYS 87 H LYS 87 -3.407 3.883 13.085 634 HA LYS 87 HA LYS 87 -4.283 5.518 15.387 635 1HB LYS 87 1HB LYS 87 -5.734 4.479 13.438 636 2HB LYS 87 2HB LYS 87 -5.786 3.028 14.416 637 1HG LYS 87 1HG LYS 87 -6.735 4.502 16.338 638 2HG LYS 87 2HG LYS 87 -7.783 4.142 14.980 639 1HD LYS 87 1HD LYS 87 -7.378 6.686 16.041 640 2HD LYS 87 2HD LYS 87 -6.195 6.694 14.743 641 1HE LYS 87 1HE LYS 87 -7.823 6.465 13.013 642 2HE LYS 87 2HE LYS 87 -9.062 5.824 14.094 643 1HZ LYS 87 1HZ LYS 87 -9.313 8.214 13.390 644 2HZ LYS 87 2HZ LYS 87 -9.394 7.975 15.022 645 3HZ LYS 87 3HZ LYS 87 -8.024 8.603 14.346 646 H GLU 88 H GLU 88 -4.321 1.948 15.106 647 HA GLU 88 HA GLU 88 -4.129 0.226 16.787 648 1HB GLU 88 1HB GLU 88 -1.786 0.642 16.227 649 2HB GLU 88 2HB GLU 88 -1.682 1.972 17.362 650 1HG GLU 88 1HG GLU 88 -0.870 0.483 18.884 651 2HG GLU 88 2HG GLU 88 -2.495 -0.167 19.026 652 H ASP 89 H ASP 89 -6.162 1.453 17.571 653 HA ASP 89 HA ASP 89 -6.228 3.229 19.841 654 1HB ASP 89 1HB ASP 89 -8.233 2.651 18.407 655 2HB ASP 89 2HB ASP 89 -8.339 1.096 19.199 656 H ALA 90 H ALA 90 -7.296 -0.139 20.197 657 HA ALA 90 HA ALA 90 -5.328 -0.946 22.252 658 1HB ALA 90 1HB ALA 90 -6.858 0.813 23.510 659 2HB ALA 90 2HB ALA 90 -8.103 -0.451 23.477 660 3HB ALA 90 3HB ALA 90 -6.559 -0.749 24.313 Start of MODEL 5 Raw file had 660 H/Q atoms Start of MODEL 5 1 1H ALA 1 1H ALA 1 -23.758 -3.621 5.253 2 2H ALA 1 2H ALA 1 -22.108 -3.325 5.121 3 3H ALA 1 3H ALA 1 -22.817 -3.475 6.639 4 HA ALA 1 HA ALA 1 -23.590 -1.394 4.696 5 1HB ALA 1 1HB ALA 1 -23.921 -1.289 7.742 6 2HB ALA 1 2HB ALA 1 -24.814 -0.393 6.499 7 3HB ALA 1 3HB ALA 1 -25.117 -2.134 6.731 8 H SER 2 H SER 2 -23.003 0.689 6.501 9 HA SER 2 HA SER 2 -21.243 2.106 7.356 10 1HB SER 2 1HB SER 2 -20.448 -0.466 8.128 11 2HB SER 2 2HB SER 2 -19.033 0.124 7.252 12 HG SER 2 HG SER 2 -18.956 0.750 9.381 13 H MET 3 H MET 3 -18.503 2.010 6.628 14 HA MET 3 HA MET 3 -16.932 2.489 4.837 15 1HB MET 3 1HB MET 3 -18.568 0.655 3.584 16 2HB MET 3 2HB MET 3 -18.921 2.075 2.616 17 1HG MET 3 1HG MET 3 -16.903 1.983 1.524 18 2HG MET 3 2HG MET 3 -15.988 1.762 3.024 19 1HE MET 3 1HE MET 3 -14.604 -0.950 0.981 20 2HE MET 3 2HE MET 3 -14.419 0.521 1.981 21 3HE MET 3 3HE MET 3 -14.457 -1.087 2.761 22 H THR 4 H THR 4 -17.450 4.540 5.959 23 HA THR 4 HA THR 4 -19.074 6.581 4.455 24 HB THR 4 HB THR 4 -17.216 7.479 6.641 25 HG1 THR 4 HG1 THR 4 -19.630 6.193 7.273 26 1HG2 THR 4 1HG2 THR 4 -19.136 8.839 7.379 27 2HG2 THR 4 2HG2 THR 4 -18.843 9.139 5.652 28 3HG2 THR 4 3HG2 THR 4 -20.205 8.109 6.162 29 H ASP 5 H ASP 5 -16.447 5.135 3.509 30 HA ASP 5 HA ASP 5 -14.899 5.758 1.746 31 1HB ASP 5 1HB ASP 5 -15.316 8.727 2.342 32 2HB ASP 5 2HB ASP 5 -14.669 7.980 0.899 33 H GLN 6 H GLN 6 -14.213 4.917 4.184 34 HA GLN 6 HA GLN 6 -12.308 6.483 5.754 35 1HB GLN 6 1HB GLN 6 -11.479 4.389 6.653 36 2HB GLN 6 2HB GLN 6 -13.227 4.309 6.517 37 1HG GLN 6 1HG GLN 6 -13.120 2.839 4.559 38 2HG GLN 6 2HG GLN 6 -11.394 3.073 4.379 39 1HE2 GLN 6 1HE2 GLN 6 -11.882 -0.227 6.122 40 2HE2 GLN 6 2HE2 GLN 6 -12.448 0.532 4.550 41 H GLN 7 H GLN 7 -12.054 4.698 2.725 42 HA GLN 7 HA GLN 7 -9.248 4.317 2.366 43 1HB GLN 7 1HB GLN 7 -10.333 3.373 0.580 44 2HB GLN 7 2HB GLN 7 -11.566 4.620 0.513 45 1HG GLN 7 1HG GLN 7 -10.238 6.085 -0.843 46 2HG GLN 7 2HG GLN 7 -8.734 5.283 -0.440 47 1HE2 GLN 7 1HE2 GLN 7 -11.120 3.751 -3.469 48 2HE2 GLN 7 2HE2 GLN 7 -11.656 5.145 -2.402 49 H ALA 8 H ALA 8 -11.157 7.178 1.342 50 HA ALA 8 HA ALA 8 -8.833 8.771 0.445 51 1HB ALA 8 1HB ALA 8 -10.874 9.309 -0.623 52 2HB ALA 8 2HB ALA 8 -11.788 9.412 0.894 53 3HB ALA 8 3HB ALA 8 -10.625 10.694 0.467 54 H GLU 9 H GLU 9 -10.669 8.454 3.434 55 HA GLU 9 HA GLU 9 -9.971 10.876 4.840 56 1HB GLU 9 1HB GLU 9 -11.631 9.780 5.966 57 2HB GLU 9 2HB GLU 9 -10.969 8.182 5.683 58 1HG GLU 9 1HG GLU 9 -9.244 8.560 7.495 59 2HG GLU 9 2HG GLU 9 -9.857 10.185 7.753 60 H ALA 10 H ALA 10 -8.208 7.859 4.374 61 HA ALA 10 HA ALA 10 -6.141 8.098 6.392 62 1HB ALA 10 1HB ALA 10 -4.856 6.455 5.032 63 2HB ALA 10 2HB ALA 10 -6.561 5.986 5.168 64 3HB ALA 10 3HB ALA 10 -5.952 6.693 3.650 65 NH1 ARG 11 NH1 ARG 11 -6.623 14.501 -0.706 66 NH2 ARG 11 NH2 ARG 11 -8.329 13.166 -1.392 67 H ARG 11 H ARG 11 -6.276 9.248 3.029 68 HA ARG 11 HA ARG 11 -3.571 10.332 2.758 69 1HB ARG 11 1HB ARG 11 -5.165 9.933 0.827 70 2HB ARG 11 2HB ARG 11 -6.126 11.304 1.361 71 1HG ARG 11 1HG ARG 11 -4.075 12.817 1.087 72 2HG ARG 11 2HG ARG 11 -3.209 11.447 0.388 73 1HD ARG 11 1HD ARG 11 -4.461 11.452 -1.607 74 2HD ARG 11 2HD ARG 11 -4.461 13.172 -1.224 75 HE ARG 11 HE ARG 11 -6.831 11.314 -0.692 76 1HH1 ARG 11 1HH1 ARG 11 -7.297 15.271 -0.785 77 2HH1 ARG 11 2HH1 ARG 11 -5.633 14.575 -0.451 78 1HH2 ARG 11 1HH2 ARG 11 -8.686 12.211 -1.516 79 2HH2 ARG 11 2HH2 ARG 11 -8.838 14.039 -1.566 80 H ALA 12 H ALA 12 -6.588 11.630 4.052 81 HA ALA 12 HA ALA 12 -5.880 14.471 4.272 82 1HB ALA 12 1HB ALA 12 -7.755 14.640 5.896 83 2HB ALA 12 2HB ALA 12 -8.226 13.704 4.463 84 3HB ALA 12 3HB ALA 12 -7.871 12.866 5.995 85 H PHE 13 H PHE 13 -5.255 11.639 6.272 86 HA PHE 13 HA PHE 13 -4.586 12.761 8.814 87 1HB PHE 13 1HB PHE 13 -4.714 10.255 8.068 88 2HB PHE 13 2HB PHE 13 -3.036 10.398 7.615 89 HD1 PHE 13 HD1 PHE 13 -2.798 8.491 9.384 90 HD2 PHE 13 HD2 PHE 13 -3.936 12.491 10.496 91 HE1 PHE 13 HE1 PHE 13 -2.029 8.083 11.686 92 HE2 PHE 13 HE2 PHE 13 -3.171 12.059 12.793 93 HZ PHE 13 HZ PHE 13 -2.234 9.854 13.398 94 H LEU 14 H LEU 14 -2.319 11.969 6.158 95 HA LEU 14 HA LEU 14 -0.058 13.498 7.443 96 1HB LEU 14 1HB LEU 14 1.115 11.855 6.457 97 2HB LEU 14 2HB LEU 14 0.894 12.713 4.947 98 HG LEU 14 HG LEU 14 -1.308 11.302 4.645 99 1HD1 LEU 14 1HD1 LEU 14 -0.038 9.402 3.635 100 2HD1 LEU 14 2HD1 LEU 14 0.750 10.947 3.265 101 3HD1 LEU 14 3HD1 LEU 14 1.435 9.881 4.517 102 1HD2 LEU 14 1HD2 LEU 14 0.061 9.574 6.814 103 2HD2 LEU 14 2HD2 LEU 14 -1.512 10.394 6.964 104 3HD2 LEU 14 3HD2 LEU 14 -1.318 9.072 5.803 105 H SER 15 H SER 15 1.281 14.625 5.453 106 HA SER 15 HA SER 15 -0.518 16.944 4.598 107 1HB SER 15 1HB SER 15 2.276 16.765 5.657 108 2HB SER 15 2HB SER 15 2.050 17.931 4.351 109 HG SER 15 HG SER 15 0.606 19.008 5.517 110 H GLU 16 H GLU 16 0.865 18.155 2.704 111 HA GLU 16 HA GLU 16 0.596 16.360 0.313 112 1HB GLU 16 1HB GLU 16 1.486 19.240 0.039 113 2HB GLU 16 2HB GLU 16 -0.124 18.935 0.658 114 1HG GLU 16 1HG GLU 16 -0.572 17.496 -1.456 115 2HG GLU 16 2HG GLU 16 0.985 18.024 -2.071 116 H GLU 17 H GLU 17 3.103 18.014 2.128 117 HA GLU 17 HA GLU 17 5.291 17.673 0.129 118 1HB GLU 17 1HB GLU 17 5.177 19.486 1.967 119 2HB GLU 17 2HB GLU 17 5.717 18.261 3.098 120 1HG GLU 17 1HG GLU 17 7.881 18.029 1.992 121 2HG GLU 17 2HG GLU 17 7.573 19.742 2.217 122 H MET 18 H MET 18 4.255 16.027 3.104 123 HA MET 18 HA MET 18 6.469 14.133 3.359 124 1HB MET 18 1HB MET 18 5.205 14.360 5.331 125 2HB MET 18 2HB MET 18 3.661 14.240 4.508 126 1HG MET 18 1HG MET 18 3.641 11.893 4.535 127 2HG MET 18 2HG MET 18 5.404 11.755 4.429 128 1HE MET 18 1HE MET 18 4.514 9.790 6.102 129 2HE MET 18 2HE MET 18 6.155 10.210 6.673 130 3HE MET 18 3HE MET 18 4.827 10.009 7.853 131 H ILE 19 H ILE 19 3.429 14.096 1.578 132 HA ILE 19 HA ILE 19 3.341 11.269 0.807 133 HB ILE 19 HB ILE 19 2.118 13.665 -0.657 134 1HG1 ILE 19 1HG1 ILE 19 1.390 12.839 1.883 135 2HG1 ILE 19 2HG1 ILE 19 0.307 13.614 0.747 136 1HG2 ILE 19 1HG2 ILE 19 0.628 12.013 -1.809 137 2HG2 ILE 19 2HG2 ILE 19 2.316 11.683 -2.193 138 3HG2 ILE 19 3HG2 ILE 19 1.468 10.662 -1.009 139 1HD1 ILE 19 1HD1 ILE 19 0.462 10.574 1.183 140 2HD1 ILE 19 2HD1 ILE 19 -0.836 11.681 1.677 141 3HD1 ILE 19 3HD1 ILE 19 -0.548 11.375 -0.052 142 H ALA 20 H ALA 20 4.773 14.169 -0.668 143 HA ALA 20 HA ALA 20 5.606 13.170 -3.219 144 1HB ALA 20 1HB ALA 20 7.415 15.105 -1.720 145 2HB ALA 20 2HB ALA 20 6.919 15.110 -3.423 146 3HB ALA 20 3HB ALA 20 5.765 15.608 -2.159 147 H GLU 21 H GLU 21 7.260 12.989 -0.072 148 HA GLU 21 HA GLU 21 9.764 11.772 -1.137 149 1HB GLU 21 1HB GLU 21 10.063 11.346 1.512 150 2HB GLU 21 2HB GLU 21 8.773 12.528 1.618 151 1HG GLU 21 1HG GLU 21 10.353 13.982 -0.020 152 2HG GLU 21 2HG GLU 21 11.613 12.897 0.544 153 H PHE 22 H PHE 22 6.809 10.658 0.440 154 HA PHE 22 HA PHE 22 7.585 7.954 1.190 155 1HB PHE 22 1HB PHE 22 5.209 9.490 1.338 156 2HB PHE 22 2HB PHE 22 4.748 8.157 0.313 157 HD1 PHE 22 HD1 PHE 22 4.271 9.060 3.478 158 HD2 PHE 22 HD2 PHE 22 6.343 5.861 1.478 159 HE1 PHE 22 HE1 PHE 22 4.010 7.635 5.465 160 HE2 PHE 22 HE2 PHE 22 6.004 4.425 3.448 161 HZ PHE 22 HZ PHE 22 4.866 5.315 5.453 162 H LYS 23 H LYS 23 6.244 9.326 -1.793 163 HA LYS 23 HA LYS 23 5.778 6.860 -3.314 164 1HB LYS 23 1HB LYS 23 6.546 9.546 -4.584 165 2HB LYS 23 2HB LYS 23 4.969 9.294 -3.866 166 1HG LYS 23 1HG LYS 23 6.162 8.082 -6.385 167 2HG LYS 23 2HG LYS 23 4.970 7.127 -5.525 168 1HD LYS 23 1HD LYS 23 4.362 10.044 -6.302 169 2HD LYS 23 2HD LYS 23 3.236 8.782 -5.828 170 1HE LYS 23 1HE LYS 23 4.900 8.347 -8.353 171 2HE LYS 23 2HE LYS 23 3.329 7.657 -7.939 172 1HZ LYS 23 1HZ LYS 23 2.449 10.014 -8.131 173 2HZ LYS 23 2HZ LYS 23 3.905 10.451 -8.778 174 3HZ LYS 23 3HZ LYS 23 2.962 9.333 -9.546 175 H ALA 24 H ALA 24 8.552 9.076 -3.035 176 HA ALA 24 HA ALA 24 10.345 8.158 -5.024 177 1HB ALA 24 1HB ALA 24 12.208 8.967 -3.588 178 2HB ALA 24 2HB ALA 24 10.844 10.101 -3.566 179 3HB ALA 24 3HB ALA 24 11.133 9.030 -2.171 180 H ALA 25 H ALA 25 9.944 6.836 -1.729 181 HA ALA 25 HA ALA 25 12.016 4.743 -1.952 182 1HB ALA 25 1HB ALA 25 11.121 3.912 0.216 183 2HB ALA 25 2HB ALA 25 11.354 5.670 0.248 184 3HB ALA 25 3HB ALA 25 9.713 4.994 0.085 185 H PHE 26 H PHE 26 8.547 4.901 -2.529 186 HA PHE 26 HA PHE 26 7.876 2.088 -2.731 187 1HB PHE 26 1HB PHE 26 6.261 4.096 -2.685 188 2HB PHE 26 2HB PHE 26 6.578 4.336 -4.383 189 HD1 PHE 26 HD1 PHE 26 4.296 2.906 -2.156 190 HD2 PHE 26 HD2 PHE 26 6.379 1.863 -5.773 191 HE1 PHE 26 HE1 PHE 26 2.490 1.344 -2.759 192 HE2 PHE 26 HE2 PHE 26 4.574 0.290 -6.348 193 HZ PHE 26 HZ PHE 26 2.626 0.036 -4.851 194 H ASP 27 H ASP 27 9.311 4.364 -5.010 195 HA ASP 27 HA ASP 27 9.083 2.707 -7.440 196 1HB ASP 27 1HB ASP 27 10.438 5.311 -6.772 197 2HB ASP 27 2HB ASP 27 11.158 4.403 -8.082 198 H MET 28 H MET 28 11.454 3.044 -4.875 199 HA MET 28 HA MET 28 13.846 1.951 -5.988 200 1HB MET 28 1HB MET 28 14.238 0.906 -3.593 201 2HB MET 28 2HB MET 28 12.739 1.705 -3.153 202 1HG MET 28 1HG MET 28 14.435 3.670 -4.519 203 2HG MET 28 2HG MET 28 13.813 3.689 -2.861 204 1HE MET 28 1HE MET 28 16.087 4.537 -1.369 205 2HE MET 28 2HE MET 28 14.937 3.265 -0.860 206 3HE MET 28 3HE MET 28 16.695 3.012 -0.652 207 H PHE 29 H PHE 29 10.911 0.314 -4.923 208 HA PHE 29 HA PHE 29 12.020 -2.469 -5.269 209 1HB PHE 29 1HB PHE 29 9.121 -1.586 -4.677 210 2HB PHE 29 2HB PHE 29 9.677 -3.236 -4.734 211 HD1 PHE 29 HD1 PHE 29 11.023 -4.236 -2.917 212 HD2 PHE 29 HD2 PHE 29 9.830 -0.104 -2.714 213 HE1 PHE 29 HE1 PHE 29 11.666 -4.154 -0.542 214 HE2 PHE 29 HE2 PHE 29 10.459 -0.052 -0.336 215 HZ PHE 29 HZ PHE 29 11.384 -2.066 0.750 216 H ASP 30 H ASP 30 9.612 -0.350 -6.826 217 HA ASP 30 HA ASP 30 9.421 -2.246 -9.211 218 1HB ASP 30 1HB ASP 30 7.211 -1.888 -8.646 219 2HB ASP 30 2HB ASP 30 7.440 -0.659 -9.868 220 H ALA 31 H ALA 31 11.275 -1.758 -10.277 221 HA ALA 31 HA ALA 31 12.161 1.011 -10.972 222 1HB ALA 31 1HB ALA 31 13.924 -0.137 -12.319 223 2HB ALA 31 2HB ALA 31 13.830 -0.785 -10.670 224 3HB ALA 31 3HB ALA 31 13.156 -1.716 -12.032 225 H ASP 32 H ASP 32 10.330 -1.599 -12.467 226 HA ASP 32 HA ASP 32 9.281 0.263 -14.617 227 1HB ASP 32 1HB ASP 32 9.595 -1.538 -16.415 228 2HB ASP 32 2HB ASP 32 10.668 -2.380 -15.321 229 H GLY 33 H GLY 33 7.211 0.205 -14.178 230 1HA GLY 33 1HA GLY 33 5.668 -1.902 -12.869 231 2HA GLY 33 2HA GLY 33 5.507 -2.154 -14.611 232 H GLY 34 H GLY 34 5.489 0.626 -12.356 233 1HA GLY 34 1HA GLY 34 2.748 1.515 -13.322 234 2HA GLY 34 2HA GLY 34 4.072 2.634 -13.662 235 H GLY 35 H GLY 35 2.679 0.745 -10.980 236 1HA GLY 35 1HA GLY 35 3.785 2.345 -8.748 237 2HA GLY 35 2HA GLY 35 2.191 2.973 -9.182 238 H ASP 36 H ASP 36 3.522 -0.334 -9.102 239 HA ASP 36 HA ASP 36 1.652 -1.138 -6.854 240 1HB ASP 36 1HB ASP 36 1.164 -3.335 -8.330 241 2HB ASP 36 2HB ASP 36 1.431 -2.247 -9.673 242 H ILE 37 H ILE 37 2.262 -3.136 -5.887 243 HA ILE 37 HA ILE 37 4.966 -4.351 -6.568 244 HB ILE 37 HB ILE 37 5.649 -4.208 -4.097 245 1HG1 ILE 37 1HG1 ILE 37 3.240 -3.034 -3.533 246 2HG1 ILE 37 2HG1 ILE 37 4.129 -1.573 -3.908 247 1HG2 ILE 37 1HG2 ILE 37 6.897 -2.077 -4.473 248 2HG2 ILE 37 2HG2 ILE 37 6.841 -3.023 -5.968 249 3HG2 ILE 37 3HG2 ILE 37 5.777 -1.609 -5.776 250 1HD1 ILE 37 1HD1 ILE 37 5.803 -1.988 -2.132 251 2HD1 ILE 37 2HD1 ILE 37 4.157 -2.051 -1.468 252 3HD1 ILE 37 3HD1 ILE 37 5.051 -3.561 -1.754 253 H SER 38 H SER 38 5.260 -6.369 -5.411 254 HA SER 38 HA SER 38 2.808 -8.021 -5.222 255 1HB SER 38 1HB SER 38 5.303 -8.676 -5.896 256 2HB SER 38 2HB SER 38 5.482 -9.008 -4.171 257 HG SER 38 HG SER 38 3.917 -10.244 -6.094 258 H THR 39 H THR 39 2.432 -9.417 -3.292 259 HA THR 39 HA THR 39 1.988 -7.747 -0.852 260 HB THR 39 HB THR 39 0.515 -9.330 -0.067 261 HG1 THR 39 HG1 THR 39 0.735 -11.417 -0.244 262 1HG2 THR 39 1HG2 THR 39 -0.890 -10.212 -1.878 263 2HG2 THR 39 2HG2 THR 39 -0.317 -8.593 -2.341 264 3HG2 THR 39 3HG2 THR 39 0.425 -10.045 -3.064 265 H LYS 40 H LYS 40 4.162 -10.295 -1.913 266 HA LYS 40 HA LYS 40 5.167 -11.206 0.681 267 1HB LYS 40 1HB LYS 40 5.525 -12.053 -1.929 268 2HB LYS 40 2HB LYS 40 7.079 -11.294 -1.654 269 1HG LYS 40 1HG LYS 40 7.622 -12.803 0.164 270 2HG LYS 40 2HG LYS 40 5.964 -13.345 0.336 271 1HD LYS 40 1HD LYS 40 6.068 -14.663 -1.737 272 2HD LYS 40 2HD LYS 40 7.552 -13.867 -2.233 273 1HE LYS 40 1HE LYS 40 8.927 -15.070 -0.706 274 2HE LYS 40 2HE LYS 40 7.588 -15.489 0.364 275 1HZ LYS 40 1HZ LYS 40 6.914 -17.181 -1.052 276 2HZ LYS 40 2HZ LYS 40 7.587 -16.520 -2.408 277 3HZ LYS 40 3HZ LYS 40 8.550 -17.238 -1.274 278 H GLU 41 H GLU 41 6.029 -8.562 -1.479 279 HA GLU 41 HA GLU 41 8.508 -7.818 0.077 280 1HB GLU 41 1HB GLU 41 7.369 -6.314 -2.328 281 2HB GLU 41 2HB GLU 41 8.985 -6.205 -1.660 282 1HG GLU 41 1HG GLU 41 9.072 -8.851 -2.284 283 2HG GLU 41 2HG GLU 41 7.769 -8.415 -3.377 284 H LEU 42 H LEU 42 5.258 -6.586 -0.607 285 HA LEU 42 HA LEU 42 5.179 -3.956 0.229 286 1HB LEU 42 1HB LEU 42 3.110 -4.813 -0.470 287 2HB LEU 42 2HB LEU 42 3.186 -6.213 0.580 288 HG LEU 42 HG LEU 42 2.658 -4.796 2.581 289 1HD1 LEU 42 1HD1 LEU 42 1.978 -2.394 2.308 290 2HD1 LEU 42 2HD1 LEU 42 3.681 -2.632 1.886 291 3HD1 LEU 42 3HD1 LEU 42 2.470 -2.435 0.595 292 1HD2 LEU 42 1HD2 LEU 42 0.635 -4.391 0.276 293 2HD2 LEU 42 2HD2 LEU 42 0.749 -5.823 1.327 294 3HD2 LEU 42 3HD2 LEU 42 0.279 -4.260 2.018 295 H GLY 43 H GLY 43 5.207 -6.773 2.418 296 1HA GLY 43 1HA GLY 43 5.124 -5.482 5.028 297 2HA GLY 43 2HA GLY 43 5.958 -7.006 4.698 298 H THR 44 H THR 44 8.046 -6.712 3.372 299 HA THR 44 HA THR 44 10.121 -5.619 4.833 300 HB THR 44 HB THR 44 9.988 -5.973 1.813 301 HG1 THR 44 HG1 THR 44 11.604 -7.599 2.638 302 1HG2 THR 44 1HG2 THR 44 12.484 -5.854 1.740 303 2HG2 THR 44 2HG2 THR 44 11.778 -4.277 2.153 304 3HG2 THR 44 3HG2 THR 44 12.520 -5.280 3.426 305 H VAL 45 H VAL 45 8.041 -3.882 2.598 306 HA VAL 45 HA VAL 45 9.600 -1.478 2.112 307 HB VAL 45 HB VAL 45 6.549 -1.741 2.143 308 1HG1 VAL 45 1HG1 VAL 45 8.426 -1.813 -0.303 309 2HG1 VAL 45 2HG1 VAL 45 7.794 -3.267 0.479 310 3HG1 VAL 45 3HG1 VAL 45 6.668 -2.112 -0.268 311 1HG2 VAL 45 1HG2 VAL 45 6.404 0.304 0.818 312 2HG2 VAL 45 2HG2 VAL 45 7.376 0.705 2.253 313 3HG2 VAL 45 3HG2 VAL 45 8.178 0.444 0.697 314 H MET 46 H MET 46 7.011 -2.100 4.515 315 HA MET 46 HA MET 46 7.024 0.447 5.872 316 1HB MET 46 1HB MET 46 6.240 -1.081 7.948 317 2HB MET 46 2HB MET 46 6.154 -2.337 6.726 318 1HG MET 46 1HG MET 46 4.544 -0.942 5.367 319 2HG MET 46 2HG MET 46 4.643 0.348 6.576 320 1HE MET 46 1HE MET 46 2.799 -0.425 9.478 321 2HE MET 46 2HE MET 46 3.453 0.714 8.264 322 3HE MET 46 3HE MET 46 1.790 0.084 8.087 323 NH1 ARG 47 NH1 ARG 47 12.091 -8.048 7.628 324 NH2 ARG 47 NH2 ARG 47 10.126 -8.668 6.671 325 H ARG 47 H ARG 47 9.031 -2.431 6.324 326 HA ARG 47 HA ARG 47 10.318 -1.629 8.874 327 1HB ARG 47 1HB ARG 47 10.976 -3.780 6.787 328 2HB ARG 47 2HB ARG 47 12.048 -3.450 8.140 329 1HG ARG 47 1HG ARG 47 10.108 -3.855 9.755 330 2HG ARG 47 2HG ARG 47 9.109 -4.334 8.381 331 1HD ARG 47 1HD ARG 47 11.813 -5.707 8.912 332 2HD ARG 47 2HD ARG 47 10.352 -6.229 9.747 333 HE ARG 47 HE ARG 47 9.606 -6.215 6.986 334 1HH1 ARG 47 1HH1 ARG 47 10.626 -9.516 6.382 335 2HH1 ARG 47 2HH1 ARG 47 9.139 -8.447 6.501 336 1HH2 ARG 47 1HH2 ARG 47 12.589 -7.378 8.225 337 2HH2 ARG 47 2HH2 ARG 47 12.466 -8.919 7.235 338 H MET 48 H MET 48 11.027 -1.178 5.454 339 HA MET 48 HA MET 48 13.863 -0.301 5.862 340 1HB MET 48 1HB MET 48 13.537 0.399 3.298 341 2HB MET 48 2HB MET 48 12.057 -0.538 3.412 342 1HG MET 48 1HG MET 48 13.626 -2.120 2.587 343 2HG MET 48 2HG MET 48 13.565 -2.509 4.314 344 1HE MET 48 1HE MET 48 17.376 -3.101 3.682 345 2HE MET 48 2HE MET 48 16.037 -3.565 4.773 346 3HE MET 48 3HE MET 48 15.837 -3.719 3.003 347 H LEU 49 H LEU 49 10.903 1.192 6.345 348 HA LEU 49 HA LEU 49 11.881 4.015 5.766 349 1HB LEU 49 1HB LEU 49 9.294 3.753 7.210 350 2HB LEU 49 2HB LEU 49 9.714 4.696 5.794 351 HG LEU 49 HG LEU 49 9.098 1.676 5.728 352 1HD1 LEU 49 1HD1 LEU 49 6.897 2.314 4.727 353 2HD1 LEU 49 2HD1 LEU 49 7.061 2.986 6.360 354 3HD1 LEU 49 3HD1 LEU 49 7.272 4.043 4.942 355 1HD2 LEU 49 1HD2 LEU 49 9.449 3.683 3.399 356 2HD2 LEU 49 2HD2 LEU 49 10.558 2.353 3.815 357 3HD2 LEU 49 3HD2 LEU 49 8.925 1.987 3.237 358 H GLY 50 H GLY 50 11.190 1.737 8.362 359 1HA GLY 50 1HA GLY 50 12.999 2.141 10.358 360 2HA GLY 50 2HA GLY 50 12.181 3.704 10.479 361 H GLN 51 H GLN 51 10.801 0.510 9.760 362 HA GLN 51 HA GLN 51 8.851 0.817 12.120 363 1HB GLN 51 1HB GLN 51 7.952 0.987 9.657 364 2HB GLN 51 2HB GLN 51 8.248 -0.740 9.560 365 1HG GLN 51 1HG GLN 51 5.871 -0.204 10.114 366 2HG GLN 51 2HG GLN 51 6.622 -1.247 11.305 367 1HE2 GLN 51 1HE2 GLN 51 5.601 2.643 12.398 368 2HE2 GLN 51 2HE2 GLN 51 5.632 2.115 10.641 369 H ASN 52 H ASN 52 7.943 -1.364 12.760 370 HA ASN 52 HA ASN 52 9.971 -3.606 12.689 371 1HB ASN 52 1HB ASN 52 9.869 -3.689 15.295 372 2HB ASN 52 2HB ASN 52 10.939 -2.541 14.521 373 1HD2 ASN 52 1HD2 ASN 52 9.161 0.273 15.967 374 2HD2 ASN 52 2HD2 ASN 52 10.420 -0.288 14.756 375 HA PRO 53 HA PRO 53 5.275 -4.751 13.328 376 1HB PRO 53 1HB PRO 53 4.537 -5.746 10.872 377 2HB PRO 53 2HB PRO 53 4.583 -4.019 11.257 378 1HG PRO 53 1HG PRO 53 5.990 -4.003 9.374 379 2HG PRO 53 2HG PRO 53 6.675 -5.616 9.683 380 1HD PRO 53 1HD PRO 53 8.445 -4.365 10.662 381 2HD PRO 53 2HD PRO 53 7.414 -2.916 10.866 382 H THR 54 H THR 54 4.366 -7.129 12.164 383 HA THR 54 HA THR 54 6.471 -9.265 12.753 384 HB THR 54 HB THR 54 3.658 -9.894 13.612 385 HG1 THR 54 HG1 THR 54 3.671 -8.234 14.818 386 1HG2 THR 54 1HG2 THR 54 4.787 -11.176 15.401 387 2HG2 THR 54 2HG2 THR 54 5.453 -11.640 13.819 388 3HG2 THR 54 3HG2 THR 54 6.380 -10.564 14.896 389 H LYS 55 H LYS 55 6.227 -11.178 11.608 390 HA LYS 55 HA LYS 55 5.171 -10.868 8.838 391 1HB LYS 55 1HB LYS 55 7.250 -12.075 9.080 392 2HB LYS 55 2HB LYS 55 6.049 -13.187 8.460 393 1HG LYS 55 1HG LYS 55 7.035 -13.047 11.373 394 2HG LYS 55 2HG LYS 55 5.772 -14.131 10.823 395 1HD LYS 55 1HD LYS 55 8.220 -15.074 11.053 396 2HD LYS 55 2HD LYS 55 7.248 -15.536 9.665 397 1HE LYS 55 1HE LYS 55 8.483 -14.219 8.124 398 2HE LYS 55 2HE LYS 55 9.101 -13.121 9.360 399 1HZ LYS 55 1HZ LYS 55 10.609 -14.977 8.366 400 2HZ LYS 55 2HZ LYS 55 10.719 -14.638 9.980 401 3HZ LYS 55 3HZ LYS 55 9.883 -15.968 9.470 402 H GLU 56 H GLU 56 4.235 -12.521 11.809 403 HA GLU 56 HA GLU 56 2.052 -14.215 10.847 404 1HB GLU 56 1HB GLU 56 3.205 -13.968 13.259 405 2HB GLU 56 2HB GLU 56 1.864 -12.882 13.562 406 1HG GLU 56 1HG GLU 56 0.267 -14.601 13.569 407 2HG GLU 56 2HG GLU 56 1.116 -15.568 12.375 408 H GLU 57 H GLU 57 2.334 -10.790 11.611 409 HA GLU 57 HA GLU 57 -0.560 -10.109 11.466 410 1HB GLU 57 1HB GLU 57 1.837 -8.218 11.203 411 2HB GLU 57 2HB GLU 57 0.168 -7.740 11.434 412 1HG GLU 57 1HG GLU 57 1.844 -9.351 13.468 413 2HG GLU 57 2HG GLU 57 0.164 -8.899 13.704 414 H LEU 58 H LEU 58 2.196 -10.174 9.252 415 HA LEU 58 HA LEU 58 0.997 -8.917 6.908 416 1HB LEU 58 1HB LEU 58 3.471 -9.466 7.237 417 2HB LEU 58 2HB LEU 58 3.112 -11.149 6.918 418 HG LEU 58 HG LEU 58 4.071 -9.731 4.969 419 1HD1 LEU 58 1HD1 LEU 58 1.169 -8.732 4.674 420 2HD1 LEU 58 2HD1 LEU 58 2.481 -7.740 5.326 421 3HD1 LEU 58 3HD1 LEU 58 2.564 -8.321 3.645 422 1HD2 LEU 58 1HD2 LEU 58 2.820 -10.973 3.238 423 2HD2 LEU 58 2HD2 LEU 58 2.997 -12.029 4.662 424 3HD2 LEU 58 3HD2 LEU 58 1.446 -11.230 4.343 425 H ASP 59 H ASP 59 0.883 -12.181 8.225 426 HA ASP 59 HA ASP 59 -0.452 -13.566 6.033 427 1HB ASP 59 1HB ASP 59 0.426 -14.300 8.648 428 2HB ASP 59 2HB ASP 59 -0.097 -15.335 7.340 429 H ALA 60 H ALA 60 -1.629 -11.586 8.708 430 HA ALA 60 HA ALA 60 -4.508 -12.052 8.404 431 1HB ALA 60 1HB ALA 60 -4.791 -10.004 9.791 432 2HB ALA 60 2HB ALA 60 -3.556 -11.082 10.470 433 3HB ALA 60 3HB ALA 60 -3.067 -9.602 9.607 434 H ILE 61 H ILE 61 -2.575 -9.173 7.489 435 HA ILE 61 HA ILE 61 -4.433 -7.712 5.960 436 HB ILE 61 HB ILE 61 -1.412 -7.888 5.647 437 1HG1 ILE 61 1HG1 ILE 61 -2.909 -5.332 6.375 438 2HG1 ILE 61 2HG1 ILE 61 -2.835 -6.589 7.591 439 1HG2 ILE 61 1HG2 ILE 61 -1.468 -5.963 4.040 440 2HG2 ILE 61 2HG2 ILE 61 -2.282 -7.369 3.356 441 3HG2 ILE 61 3HG2 ILE 61 -3.248 -6.022 4.003 442 1HD1 ILE 61 1HD1 ILE 61 -0.363 -5.257 6.337 443 2HD1 ILE 61 2HD1 ILE 61 -0.995 -5.048 7.984 444 3HD1 ILE 61 3HD1 ILE 61 -0.313 -6.616 7.493 445 H ILE 62 H ILE 62 -2.514 -10.541 5.114 446 HA ILE 62 HA ILE 62 -2.894 -10.565 2.196 447 HB ILE 62 HB ILE 62 -1.342 -12.051 3.906 448 1HG1 ILE 62 1HG1 ILE 62 -0.252 -12.557 1.965 449 2HG1 ILE 62 2HG1 ILE 62 -1.525 -11.704 1.119 450 1HG2 ILE 62 1HG2 ILE 62 -1.984 -14.469 3.737 451 2HG2 ILE 62 2HG2 ILE 62 -3.217 -13.567 4.614 452 3HG2 ILE 62 3HG2 ILE 62 -3.505 -14.029 2.921 453 1HD1 ILE 62 1HD1 ILE 62 -2.787 -13.788 0.664 454 2HD1 ILE 62 2HD1 ILE 62 -1.106 -13.940 0.114 455 3HD1 ILE 62 3HD1 ILE 62 -1.615 -14.735 1.622 456 H GLU 63 H GLU 63 -4.583 -12.219 4.876 457 HA GLU 63 HA GLU 63 -6.586 -13.684 3.491 458 1HB GLU 63 1HB GLU 63 -6.449 -12.481 6.234 459 2HB GLU 63 2HB GLU 63 -6.649 -14.148 5.732 460 1HG GLU 63 1HG GLU 63 -8.643 -12.742 6.906 461 2HG GLU 63 2HG GLU 63 -8.972 -12.219 5.263 462 H GLU 64 H GLU 64 -6.388 -10.230 4.094 463 HA GLU 64 HA GLU 64 -9.175 -9.551 3.347 464 1HB GLU 64 1HB GLU 64 -7.601 -7.190 3.095 465 2HB GLU 64 2HB GLU 64 -6.833 -8.110 4.372 466 1HG GLU 64 1HG GLU 64 -9.555 -6.790 4.329 467 2HG GLU 64 2HG GLU 64 -9.480 -8.321 5.186 468 H VAL 65 H VAL 65 -6.062 -8.683 1.806 469 HA VAL 65 HA VAL 65 -7.086 -7.591 -0.650 470 HB VAL 65 HB VAL 65 -4.382 -8.756 0.067 471 1HG1 VAL 65 1HG1 VAL 65 -3.468 -8.196 -2.194 472 2HG1 VAL 65 2HG1 VAL 65 -4.691 -9.475 -2.307 473 3HG1 VAL 65 3HG1 VAL 65 -5.102 -7.812 -2.790 474 1HG2 VAL 65 1HG2 VAL 65 -5.231 -5.920 -0.845 475 2HG2 VAL 65 2HG2 VAL 65 -4.852 -6.421 0.821 476 3HG2 VAL 65 3HG2 VAL 65 -3.580 -6.423 -0.408 477 H ASP 66 H ASP 66 -5.586 -10.837 -0.276 478 HA ASP 66 HA ASP 66 -7.052 -11.833 -2.728 479 1HB ASP 66 1HB ASP 66 -4.481 -12.220 -2.158 480 2HB ASP 66 2HB ASP 66 -5.067 -13.531 -1.160 481 H GLU 67 H GLU 67 -9.003 -11.473 -1.269 482 HA GLU 67 HA GLU 67 -9.748 -13.633 0.662 483 1HB GLU 67 1HB GLU 67 -10.692 -11.180 0.512 484 2HB GLU 67 2HB GLU 67 -11.764 -11.815 -0.721 485 1HG GLU 67 1HG GLU 67 -12.874 -13.314 0.848 486 2HG GLU 67 2HG GLU 67 -11.604 -13.144 2.047 487 H ASP 68 H ASP 68 -10.103 -12.934 -2.772 488 HA ASP 68 HA ASP 68 -10.940 -15.833 -3.257 489 1HB ASP 68 1HB ASP 68 -12.189 -14.828 -5.390 490 2HB ASP 68 2HB ASP 68 -12.985 -15.015 -3.844 491 H GLY 69 H GLY 69 -9.724 -12.835 -4.796 492 1HA GLY 69 1HA GLY 69 -8.422 -13.794 -7.132 493 2HA GLY 69 2HA GLY 69 -7.275 -14.214 -5.856 494 H SER 70 H SER 70 -6.846 -12.378 -7.972 495 HA SER 70 HA SER 70 -5.744 -10.276 -8.366 496 1HB SER 70 1HB SER 70 -6.984 -8.376 -7.981 497 2HB SER 70 2HB SER 70 -7.409 -8.815 -6.325 498 HG SER 70 HG SER 70 -8.998 -8.948 -8.194 499 H GLY 71 H GLY 71 -3.789 -10.951 -7.492 500 1HA GLY 71 1HA GLY 71 -3.156 -10.310 -4.558 501 2HA GLY 71 2HA GLY 71 -2.199 -11.386 -5.581 502 H THR 72 H THR 72 -3.371 -8.015 -5.617 503 HA THR 72 HA THR 72 -0.570 -6.986 -6.002 504 HB THR 72 HB THR 72 -1.372 -5.381 -7.866 505 HG1 THR 72 HG1 THR 72 -2.914 -6.649 -9.209 506 1HG2 THR 72 1HG2 THR 72 -1.250 -8.137 -9.104 507 2HG2 THR 72 2HG2 THR 72 -0.389 -6.648 -9.553 508 3HG2 THR 72 3HG2 THR 72 0.167 -7.619 -8.165 509 H ILE 73 H ILE 73 -0.305 -4.876 -5.310 510 HA ILE 73 HA ILE 73 -2.672 -3.453 -4.088 511 HB ILE 73 HB ILE 73 -1.697 -4.927 -2.319 512 1HG1 ILE 73 1HG1 ILE 73 -1.578 -1.940 -1.608 513 2HG1 ILE 73 2HG1 ILE 73 -3.066 -2.816 -1.918 514 1HG2 ILE 73 1HG2 ILE 73 0.395 -4.391 -1.126 515 2HG2 ILE 73 2HG2 ILE 73 0.772 -4.715 -2.824 516 3HG2 ILE 73 3HG2 ILE 73 0.743 -3.038 -2.228 517 1HD1 ILE 73 1HD1 ILE 73 -1.217 -3.099 0.488 518 2HD1 ILE 73 2HD1 ILE 73 -2.983 -2.918 0.415 519 3HD1 ILE 73 3HD1 ILE 73 -2.238 -4.482 0.008 520 H ASP 74 H ASP 74 -2.549 -1.284 -4.164 521 HA ASP 74 HA ASP 74 -0.172 -0.062 -5.665 522 1HB ASP 74 1HB ASP 74 -1.501 1.120 -7.001 523 2HB ASP 74 2HB ASP 74 -2.501 1.652 -5.682 524 H PHE 75 H PHE 75 -0.729 2.573 -5.279 525 HA PHE 75 HA PHE 75 0.594 2.972 -2.652 526 1HB PHE 75 1HB PHE 75 -0.238 5.197 -4.594 527 2HB PHE 75 2HB PHE 75 1.135 4.169 -4.915 528 HD1 PHE 75 HD1 PHE 75 0.686 4.729 -1.329 529 HD2 PHE 75 HD2 PHE 75 2.372 6.463 -4.888 530 HE1 PHE 75 HE1 PHE 75 1.866 6.404 0.034 531 HE2 PHE 75 HE2 PHE 75 3.550 8.126 -3.505 532 HZ PHE 75 HZ PHE 75 3.256 8.135 -1.054 533 H GLU 76 H GLU 76 -2.597 3.431 -4.024 534 HA GLU 76 HA GLU 76 -3.658 5.334 -2.022 535 1HB GLU 76 1HB GLU 76 -4.674 5.308 -4.208 536 2HB GLU 76 2HB GLU 76 -5.880 4.896 -3.005 537 1HG GLU 76 1HG GLU 76 -6.110 2.661 -3.775 538 2HG GLU 76 2HG GLU 76 -4.482 2.590 -4.428 539 H GLU 77 H GLU 77 -4.114 1.839 -2.588 540 HA GLU 77 HA GLU 77 -5.503 1.215 -0.050 541 1HB GLU 77 1HB GLU 77 -3.833 -0.867 -1.494 542 2HB GLU 77 2HB GLU 77 -5.251 -0.213 -2.291 543 1HG GLU 77 1HG GLU 77 -5.456 -1.378 0.549 544 2HG GLU 77 2HG GLU 77 -6.757 -1.089 -0.594 545 H PHE 78 H PHE 78 -2.191 1.730 -1.012 546 HA PHE 78 HA PHE 78 -0.816 0.286 1.135 547 1HB PHE 78 1HB PHE 78 0.011 2.385 -0.901 548 2HB PHE 78 2HB PHE 78 0.520 0.724 -0.758 549 HD1 PHE 78 HD1 PHE 78 1.116 4.199 0.412 550 HD2 PHE 78 HD2 PHE 78 2.331 0.102 0.917 551 HE1 PHE 78 HE1 PHE 78 3.195 4.939 1.504 552 HE2 PHE 78 HE2 PHE 78 4.395 0.860 2.023 553 HZ PHE 78 HZ PHE 78 4.833 3.274 2.316 554 H LEU 79 H LEU 79 -1.785 3.700 0.741 555 HA LEU 79 HA LEU 79 -0.694 4.566 3.408 556 1HB LEU 79 1HB LEU 79 -1.941 6.751 2.887 557 2HB LEU 79 2HB LEU 79 -0.585 6.322 1.867 558 HG LEU 79 HG LEU 79 -2.845 5.253 0.475 559 1HD1 LEU 79 1HD1 LEU 79 -4.420 7.183 0.285 560 2HD1 LEU 79 2HD1 LEU 79 -4.388 6.566 1.947 561 3HD1 LEU 79 3HD1 LEU 79 -3.527 8.072 1.545 562 1HD2 LEU 79 1HD2 LEU 79 -1.328 7.907 0.001 563 2HD2 LEU 79 2HD2 LEU 79 -0.868 6.306 -0.630 564 3HD2 LEU 79 3HD2 LEU 79 -2.360 7.075 -1.190 565 H VAL 80 H VAL 80 -3.731 3.517 1.990 566 HA VAL 80 HA VAL 80 -5.571 4.184 4.159 567 HB VAL 80 HB VAL 80 -5.703 2.099 1.949 568 1HG1 VAL 80 1HG1 VAL 80 -7.570 4.489 2.500 569 2HG1 VAL 80 2HG1 VAL 80 -6.139 4.601 1.466 570 3HG1 VAL 80 3HG1 VAL 80 -7.463 3.500 1.020 571 1HG2 VAL 80 1HG2 VAL 80 -7.974 1.427 2.583 572 2HG2 VAL 80 2HG2 VAL 80 -6.929 1.119 3.990 573 3HG2 VAL 80 3HG2 VAL 80 -7.989 2.536 3.976 574 H MET 81 H MET 81 -3.312 1.535 3.592 575 HA MET 81 HA MET 81 -4.276 -0.289 5.721 576 1HB MET 81 1HB MET 81 -2.751 -1.785 4.944 577 2HB MET 81 2HB MET 81 -2.676 -0.701 3.568 578 1HG MET 81 1HG MET 81 -0.698 0.459 5.100 579 2HG MET 81 2HG MET 81 -0.404 -0.837 3.928 580 1HE MET 81 1HE MET 81 1.403 -3.323 6.018 581 2HE MET 81 2HE MET 81 0.717 -2.922 4.416 582 3HE MET 81 3HE MET 81 1.847 -1.787 5.211 583 H MET 82 H MET 82 -1.874 2.286 5.484 584 HA MET 82 HA MET 82 -0.488 1.783 8.042 585 1HB MET 82 1HB MET 82 0.755 3.756 7.687 586 2HB MET 82 2HB MET 82 -0.546 4.574 6.843 587 1HG MET 82 1HG MET 82 0.874 2.157 5.571 588 2HG MET 82 2HG MET 82 -0.139 3.374 4.776 589 1HE MET 82 1HE MET 82 2.154 6.629 5.825 590 2HE MET 82 2HE MET 82 0.518 5.965 6.109 591 3HE MET 82 3HE MET 82 1.825 5.642 7.285 592 H VAL 83 H VAL 83 -2.999 4.106 7.023 593 HA VAL 83 HA VAL 83 -3.485 5.463 9.520 594 HB VAL 83 HB VAL 83 -5.469 4.876 7.268 595 1HG1 VAL 83 1HG1 VAL 83 -6.918 6.681 8.215 596 2HG1 VAL 83 2HG1 VAL 83 -6.778 5.333 9.353 597 3HG1 VAL 83 3HG1 VAL 83 -5.849 6.824 9.635 598 1HG2 VAL 83 1HG2 VAL 83 -3.906 7.461 7.925 599 2HG2 VAL 83 2HG2 VAL 83 -3.587 6.374 6.553 600 3HG2 VAL 83 3HG2 VAL 83 -5.112 7.269 6.626 601 NH1 ARG 84 NH1 ARG 84 -6.201 -3.392 5.809 602 NH2 ARG 84 NH2 ARG 84 -6.052 -1.521 4.529 603 H ARG 84 H ARG 84 -4.454 2.278 8.395 604 HA ARG 84 HA ARG 84 -6.505 1.597 10.372 605 1HB ARG 84 1HB ARG 84 -5.034 -0.807 9.699 606 2HB ARG 84 2HB ARG 84 -5.042 0.213 8.267 607 1HG ARG 84 1HG ARG 84 -7.591 -0.527 9.825 608 2HG ARG 84 2HG ARG 84 -7.529 0.408 8.329 609 1HD ARG 84 1HD ARG 84 -6.196 -2.329 8.281 610 2HD ARG 84 2HD ARG 84 -7.956 -2.303 8.359 611 HE ARG 84 HE ARG 84 -7.754 -0.688 6.228 612 1HH1 ARG 84 1HH1 ARG 84 -5.587 -2.124 3.842 613 2HH1 ARG 84 2HH1 ARG 84 -6.231 -0.514 4.442 614 1HH2 ARG 84 1HH2 ARG 84 -6.433 -3.800 6.721 615 2HH2 ARG 84 2HH2 ARG 84 -5.790 -3.879 5.003 616 H GLN 85 H GLN 85 -3.109 0.428 10.293 617 HA GLN 85 HA GLN 85 -3.116 -0.788 12.937 618 1HB GLN 85 1HB GLN 85 -0.952 -0.001 10.973 619 2HB GLN 85 2HB GLN 85 -0.456 -0.251 12.637 620 1HG GLN 85 1HG GLN 85 -0.332 -2.279 11.012 621 2HG GLN 85 2HG GLN 85 -2.079 -2.369 11.107 622 1HE2 GLN 85 1HE2 GLN 85 -1.753 -4.445 13.998 623 2HE2 GLN 85 2HE2 GLN 85 -2.487 -4.133 12.345 624 H MET 86 H MET 86 -1.669 2.302 11.878 625 HA MET 86 HA MET 86 -0.578 3.354 14.249 626 1HB MET 86 1HB MET 86 -1.909 4.761 11.895 627 2HB MET 86 2HB MET 86 -1.419 5.706 13.289 628 1HG MET 86 1HG MET 86 0.954 5.034 13.014 629 2HG MET 86 2HG MET 86 0.524 3.873 11.748 630 1HE MET 86 1HE MET 86 0.529 7.934 12.579 631 2HE MET 86 2HE MET 86 2.053 7.007 12.445 632 3HE MET 86 3HE MET 86 1.620 8.198 11.183 633 H LYS 87 H LYS 87 -3.972 3.223 13.312 634 HA LYS 87 HA LYS 87 -5.173 4.905 15.372 635 1HB LYS 87 1HB LYS 87 -6.433 4.017 13.380 636 2HB LYS 87 2HB LYS 87 -6.405 2.403 14.061 637 1HG LYS 87 1HG LYS 87 -8.584 3.654 14.350 638 2HG LYS 87 2HG LYS 87 -7.930 2.980 15.829 639 1HD LYS 87 1HD LYS 87 -8.394 5.051 16.724 640 2HD LYS 87 2HD LYS 87 -6.856 5.502 16.007 641 1HE LYS 87 1HE LYS 87 -8.604 5.906 13.842 642 2HE LYS 87 2HE LYS 87 -9.609 6.376 15.214 643 1HZ LYS 87 1HZ LYS 87 -8.049 8.025 15.831 644 2HZ LYS 87 2HZ LYS 87 -6.839 7.410 14.889 645 3HZ LYS 87 3HZ LYS 87 -8.140 8.148 14.186 646 H GLU 88 H GLU 88 -4.861 1.329 15.284 647 HA GLU 88 HA GLU 88 -3.665 0.910 17.887 648 1HB GLU 88 1HB GLU 88 -6.483 1.684 18.078 649 2HB GLU 88 2HB GLU 88 -6.271 0.057 18.692 650 1HG GLU 88 1HG GLU 88 -4.463 2.360 19.645 651 2HG GLU 88 2HG GLU 88 -6.047 2.086 20.351 652 H ASP 89 H ASP 89 -3.200 -1.190 18.133 653 HA ASP 89 HA ASP 89 -3.743 -3.114 15.915 654 1HB ASP 89 1HB ASP 89 -2.186 -3.442 18.537 655 2HB ASP 89 2HB ASP 89 -1.536 -3.177 16.936 656 H ALA 90 H ALA 90 -5.076 -4.820 15.914 657 HA ALA 90 HA ALA 90 -6.621 -5.922 18.185 658 1HB ALA 90 1HB ALA 90 -8.575 -4.697 18.225 659 2HB ALA 90 2HB ALA 90 -7.613 -3.407 17.476 660 3HB ALA 90 3HB ALA 90 -8.617 -4.469 16.459 Start of MODEL 6 Raw file had 660 H/Q atoms Start of MODEL 6 1 1H ALA 1 1H ALA 1 -19.061 0.330 9.616 2 2H ALA 1 2H ALA 1 -18.432 -0.188 8.145 3 3H ALA 1 3H ALA 1 -17.904 1.258 8.823 4 HA ALA 1 HA ALA 1 -20.103 0.730 7.127 5 1HB ALA 1 1HB ALA 1 -21.636 2.384 8.586 6 2HB ALA 1 2HB ALA 1 -21.660 0.636 8.890 7 3HB ALA 1 3HB ALA 1 -20.722 1.711 9.957 8 H SER 2 H SER 2 -20.260 2.440 5.766 9 HA SER 2 HA SER 2 -19.922 4.617 4.769 10 1HB SER 2 1HB SER 2 -20.139 5.207 7.469 11 2HB SER 2 2HB SER 2 -18.538 5.858 7.109 12 HG SER 2 HG SER 2 -21.037 6.504 6.016 13 H MET 3 H MET 3 -18.337 2.988 3.766 14 HA MET 3 HA MET 3 -15.543 4.251 3.804 15 1HB MET 3 1HB MET 3 -14.468 2.090 3.372 16 2HB MET 3 2HB MET 3 -16.011 1.258 3.331 17 1HG MET 3 1HG MET 3 -14.528 2.366 5.767 18 2HG MET 3 2HG MET 3 -16.280 2.123 5.852 19 1HE MET 3 1HE MET 3 -17.067 -1.421 5.580 20 2HE MET 3 2HE MET 3 -16.801 -0.670 7.181 21 3HE MET 3 3HE MET 3 -17.519 0.291 5.855 22 H THR 4 H THR 4 -17.783 4.994 2.280 23 HA THR 4 HA THR 4 -18.059 3.988 -0.403 24 HB THR 4 HB THR 4 -19.549 5.704 0.248 25 HG1 THR 4 HG1 THR 4 -18.738 5.675 -1.933 26 1HG2 THR 4 1HG2 THR 4 -18.997 8.069 0.678 27 2HG2 THR 4 2HG2 THR 4 -18.183 7.054 1.889 28 3HG2 THR 4 3HG2 THR 4 -17.254 7.755 0.539 29 H ASP 5 H ASP 5 -15.442 5.731 1.143 30 HA ASP 5 HA ASP 5 -13.455 5.027 -0.896 31 1HB ASP 5 1HB ASP 5 -12.995 7.701 -1.336 32 2HB ASP 5 2HB ASP 5 -13.787 6.612 -2.451 33 H GLN 6 H GLN 6 -13.069 4.349 1.411 34 HA GLN 6 HA GLN 6 -11.976 6.118 3.476 35 1HB GLN 6 1HB GLN 6 -10.683 4.040 4.236 36 2HB GLN 6 2HB GLN 6 -12.433 3.925 4.195 37 1HG GLN 6 1HG GLN 6 -12.384 2.607 2.102 38 2HG GLN 6 2HG GLN 6 -10.656 2.835 1.929 39 1HE2 GLN 6 1HE2 GLN 6 -11.564 -0.529 3.629 40 2HE2 GLN 6 2HE2 GLN 6 -12.046 0.318 2.074 41 H GLN 7 H GLN 7 -10.671 4.755 0.503 42 HA GLN 7 HA GLN 7 -7.856 5.056 0.682 43 1HB GLN 7 1HB GLN 7 -7.846 5.630 -1.787 44 2HB GLN 7 2HB GLN 7 -8.718 4.172 -1.347 45 1HG GLN 7 1HG GLN 7 -10.884 5.725 -1.362 46 2HG GLN 7 2HG GLN 7 -9.888 6.849 -2.264 47 1HE2 GLN 7 1HE2 GLN 7 -11.156 3.338 -4.080 48 2HE2 GLN 7 2HE2 GLN 7 -11.118 3.491 -2.252 49 H ALA 8 H ALA 8 -10.175 7.612 -0.296 50 HA ALA 8 HA ALA 8 -8.214 9.777 -0.569 51 1HB ALA 8 1HB ALA 8 -10.125 10.303 -1.742 52 2HB ALA 8 2HB ALA 8 -11.227 9.588 -0.549 53 3HB ALA 8 3HB ALA 8 -10.517 11.195 -0.253 54 H GLU 9 H GLU 9 -10.147 8.541 2.102 55 HA GLU 9 HA GLU 9 -9.960 10.792 3.979 56 1HB GLU 9 1HB GLU 9 -10.241 7.861 4.804 57 2HB GLU 9 2HB GLU 9 -10.695 9.281 5.724 58 1HG GLU 9 1HG GLU 9 -12.051 8.306 3.128 59 2HG GLU 9 2HG GLU 9 -12.683 8.127 4.756 60 H ALA 10 H ALA 10 -7.875 8.066 3.180 61 HA ALA 10 HA ALA 10 -6.043 8.101 5.438 62 1HB ALA 10 1HB ALA 10 -4.493 6.813 3.975 63 2HB ALA 10 2HB ALA 10 -6.153 6.199 3.855 64 3HB ALA 10 3HB ALA 10 -5.477 7.197 2.542 65 NH1 ARG 11 NH1 ARG 11 -4.539 11.781 -3.016 66 NH2 ARG 11 NH2 ARG 11 -6.629 11.239 -3.724 67 H ARG 11 H ARG 11 -5.965 9.776 2.299 68 HA ARG 11 HA ARG 11 -3.290 11.062 2.632 69 1HB ARG 11 1HB ARG 11 -3.681 12.160 0.555 70 2HB ARG 11 2HB ARG 11 -4.380 10.555 0.397 71 1HG ARG 11 1HG ARG 11 -6.548 11.307 0.180 72 2HG ARG 11 2HG ARG 11 -6.347 12.627 1.333 73 1HD ARG 11 1HD ARG 11 -4.645 13.300 -0.901 74 2HD ARG 11 2HD ARG 11 -6.118 14.117 -0.384 75 HE ARG 11 HE ARG 11 -7.375 12.949 -2.115 76 1HH1 ARG 11 1HH1 ARG 11 -4.211 11.135 -3.743 77 2HH1 ARG 11 2HH1 ARG 11 -3.957 12.356 -2.398 78 1HH2 ARG 11 1HH2 ARG 11 -7.639 11.395 -3.639 79 2HH2 ARG 11 2HH2 ARG 11 -6.155 10.638 -4.406 80 H ALA 12 H ALA 12 -6.665 11.901 3.231 81 HA ALA 12 HA ALA 12 -6.637 14.683 3.830 82 1HB ALA 12 1HB ALA 12 -8.493 14.270 5.433 83 2HB ALA 12 2HB ALA 12 -8.704 13.321 3.948 84 3HB ALA 12 3HB ALA 12 -8.142 12.525 5.440 85 H PHE 13 H PHE 13 -5.269 12.015 5.674 86 HA PHE 13 HA PHE 13 -4.952 13.319 8.280 87 1HB PHE 13 1HB PHE 13 -4.884 10.854 8.010 88 2HB PHE 13 2HB PHE 13 -3.424 10.942 7.061 89 HD1 PHE 13 HD1 PHE 13 -4.837 11.409 10.503 90 HD2 PHE 13 HD2 PHE 13 -1.222 11.251 8.171 91 HE1 PHE 13 HE1 PHE 13 -3.504 11.211 12.562 92 HE2 PHE 13 HE2 PHE 13 0.088 11.008 10.239 93 HZ PHE 13 HZ PHE 13 -1.041 11.033 12.436 94 H LEU 14 H LEU 14 -2.513 12.560 5.770 95 HA LEU 14 HA LEU 14 -0.520 14.503 6.937 96 1HB LEU 14 1HB LEU 14 0.924 13.637 4.946 97 2HB LEU 14 2HB LEU 14 0.600 12.570 6.295 98 HG LEU 14 HG LEU 14 -1.077 11.299 5.014 99 1HD1 LEU 14 1HD1 LEU 14 -1.655 11.829 2.641 100 2HD1 LEU 14 2HD1 LEU 14 -2.121 13.163 3.712 101 3HD1 LEU 14 3HD1 LEU 14 -0.661 13.307 2.701 102 1HD2 LEU 14 1HD2 LEU 14 1.460 11.760 3.304 103 2HD2 LEU 14 2HD2 LEU 14 1.295 10.604 4.649 104 3HD2 LEU 14 3HD2 LEU 14 0.354 10.369 3.169 105 H SER 15 H SER 15 0.740 15.710 5.068 106 HA SER 15 HA SER 15 -1.269 17.329 3.422 107 1HB SER 15 1HB SER 15 1.548 18.340 3.761 108 2HB SER 15 2HB SER 15 0.548 18.292 5.215 109 HG SER 15 HG SER 15 -0.739 19.225 2.960 110 H GLU 16 H GLU 16 -0.126 18.267 1.392 111 HA GLU 16 HA GLU 16 0.316 16.092 -0.523 112 1HB GLU 16 1HB GLU 16 0.539 19.114 -0.700 113 2HB GLU 16 2HB GLU 16 1.199 18.138 -1.997 114 1HG GLU 16 1HG GLU 16 -1.667 17.557 -1.125 115 2HG GLU 16 2HG GLU 16 -0.929 17.360 -2.706 116 H GLU 17 H GLU 17 2.427 18.177 1.349 117 HA GLU 17 HA GLU 17 4.959 17.664 -0.083 118 1HB GLU 17 1HB GLU 17 5.152 19.577 1.185 119 2HB GLU 17 2HB GLU 17 4.282 18.930 2.561 120 1HG GLU 17 1HG GLU 17 6.221 17.804 3.437 121 2HG GLU 17 2HG GLU 17 7.058 17.816 1.894 122 H MET 18 H MET 18 3.579 16.324 2.932 123 HA MET 18 HA MET 18 5.722 14.432 3.561 124 1HB MET 18 1HB MET 18 2.822 14.677 4.454 125 2HB MET 18 2HB MET 18 4.299 14.894 5.376 126 1HG MET 18 1HG MET 18 2.929 12.272 4.600 127 2HG MET 18 2HG MET 18 4.660 12.273 4.975 128 1HE MET 18 1HE MET 18 5.726 13.356 6.806 129 2HE MET 18 2HE MET 18 4.944 14.126 8.218 130 3HE MET 18 3HE MET 18 5.311 12.377 8.249 131 H ILE 19 H ILE 19 2.829 14.265 1.554 132 HA ILE 19 HA ILE 19 2.681 11.417 1.001 133 HB ILE 19 HB ILE 19 1.792 13.818 -0.650 134 1HG1 ILE 19 1HG1 ILE 19 0.237 11.652 0.912 135 2HG1 ILE 19 2HG1 ILE 19 0.400 13.338 1.354 136 1HG2 ILE 19 1HG2 ILE 19 0.670 12.276 -2.274 137 2HG2 ILE 19 2HG2 ILE 19 2.415 12.032 -2.307 138 3HG2 ILE 19 3HG2 ILE 19 1.380 10.862 -1.458 139 1HD1 ILE 19 1HD1 ILE 19 -1.167 12.341 -1.097 140 2HD1 ILE 19 2HD1 ILE 19 -1.818 13.018 0.410 141 3HD1 ILE 19 3HD1 ILE 19 -0.889 14.058 -0.695 142 H ALA 20 H ALA 20 4.483 14.043 -0.602 143 HA ALA 20 HA ALA 20 5.635 12.697 -2.832 144 1HB ALA 20 1HB ALA 20 7.480 14.606 -1.417 145 2HB ALA 20 2HB ALA 20 6.934 14.579 -3.105 146 3HB ALA 20 3HB ALA 20 5.871 15.241 -1.836 147 H GLU 21 H GLU 21 6.571 12.597 0.567 148 HA GLU 21 HA GLU 21 9.212 11.295 0.187 149 1HB GLU 21 1HB GLU 21 8.152 12.726 2.245 150 2HB GLU 21 2HB GLU 21 7.836 11.118 2.865 151 1HG GLU 21 1HG GLU 21 10.397 10.628 2.412 152 2HG GLU 21 2HG GLU 21 10.566 12.362 2.191 153 H PHE 22 H PHE 22 5.938 10.240 1.035 154 HA PHE 22 HA PHE 22 6.458 7.468 1.774 155 1HB PHE 22 1HB PHE 22 3.949 7.215 0.756 156 2HB PHE 22 2HB PHE 22 3.992 8.958 0.803 157 HD1 PHE 22 HD1 PHE 22 2.177 8.978 2.531 158 HD2 PHE 22 HD2 PHE 22 5.904 6.986 3.347 159 HE1 PHE 22 HE1 PHE 22 1.668 8.989 4.937 160 HE2 PHE 22 HE2 PHE 22 5.368 6.991 5.749 161 HZ PHE 22 HZ PHE 22 3.245 7.971 6.546 162 H LYS 23 H LYS 23 5.527 8.943 -1.343 163 HA LYS 23 HA LYS 23 5.519 6.468 -2.942 164 1HB LYS 23 1HB LYS 23 4.441 8.824 -3.480 165 2HB LYS 23 2HB LYS 23 4.966 7.771 -4.776 166 1HG LYS 23 1HG LYS 23 6.878 9.904 -3.712 167 2HG LYS 23 2HG LYS 23 6.881 9.126 -5.283 168 1HD LYS 23 1HD LYS 23 4.798 10.388 -5.946 169 2HD LYS 23 2HD LYS 23 4.702 11.078 -4.334 170 1HE LYS 23 1HE LYS 23 5.730 12.565 -6.228 171 2HE LYS 23 2HE LYS 23 6.537 12.561 -4.658 172 1HZ LYS 23 1HZ LYS 23 7.453 10.575 -6.614 173 2HZ LYS 23 2HZ LYS 23 7.823 12.154 -6.924 174 3HZ LYS 23 3HZ LYS 23 8.324 11.449 -5.516 175 H ALA 24 H ALA 24 7.960 8.843 -2.049 176 HA ALA 24 HA ALA 24 10.145 8.376 -3.795 177 1HB ALA 24 1HB ALA 24 11.655 8.980 -1.913 178 2HB ALA 24 2HB ALA 24 10.233 10.040 -1.959 179 3HB ALA 24 3HB ALA 24 10.338 8.745 -0.739 180 H ALA 25 H ALA 25 9.268 6.475 -0.899 181 HA ALA 25 HA ALA 25 11.469 4.481 -1.261 182 1HB ALA 25 1HB ALA 25 10.531 3.404 0.777 183 2HB ALA 25 2HB ALA 25 10.759 5.146 1.017 184 3HB ALA 25 3HB ALA 25 9.124 4.493 0.743 185 H PHE 26 H PHE 26 8.008 4.699 -1.877 186 HA PHE 26 HA PHE 26 7.314 1.940 -2.472 187 1HB PHE 26 1HB PHE 26 5.716 3.941 -2.273 188 2HB PHE 26 2HB PHE 26 6.169 4.421 -3.887 189 HD1 PHE 26 HD1 PHE 26 5.829 0.802 -2.904 190 HD2 PHE 26 HD2 PHE 26 3.924 4.138 -4.841 191 HE1 PHE 26 HE1 PHE 26 4.080 -0.692 -3.783 192 HE2 PHE 26 HE2 PHE 26 2.170 2.634 -5.689 193 HZ PHE 26 HZ PHE 26 2.252 0.218 -5.176 194 H ASP 27 H ASP 27 9.061 4.401 -4.279 195 HA ASP 27 HA ASP 27 8.938 3.012 -6.926 196 1HB ASP 27 1HB ASP 27 10.080 5.620 -5.949 197 2HB ASP 27 2HB ASP 27 10.932 4.881 -7.284 198 H MET 28 H MET 28 11.131 3.263 -4.197 199 HA MET 28 HA MET 28 13.643 2.383 -5.232 200 1HB MET 28 1HB MET 28 12.421 2.386 -2.547 201 2HB MET 28 2HB MET 28 13.436 0.973 -2.766 202 1HG MET 28 1HG MET 28 15.356 2.523 -3.505 203 2HG MET 28 2HG MET 28 14.324 3.904 -3.102 204 1HE MET 28 1HE MET 28 17.247 1.919 -1.523 205 2HE MET 28 2HE MET 28 17.044 3.640 -1.968 206 3HE MET 28 3HE MET 28 17.191 3.177 -0.248 207 H PHE 29 H PHE 29 10.737 0.523 -4.502 208 HA PHE 29 HA PHE 29 12.013 -2.109 -5.383 209 1HB PHE 29 1HB PHE 29 9.747 -3.119 -4.710 210 2HB PHE 29 2HB PHE 29 9.247 -1.545 -4.157 211 HD1 PHE 29 HD1 PHE 29 9.137 -3.698 -2.227 212 HD2 PHE 29 HD2 PHE 29 12.532 -1.253 -3.244 213 HE1 PHE 29 HE1 PHE 29 10.090 -4.067 0.012 214 HE2 PHE 29 HE2 PHE 29 13.469 -1.643 -1.003 215 HZ PHE 29 HZ PHE 29 12.255 -3.046 0.626 216 H ASP 30 H ASP 30 9.528 0.261 -6.217 217 HA ASP 30 HA ASP 30 8.638 -1.244 -8.677 218 1HB ASP 30 1HB ASP 30 7.696 1.537 -7.781 219 2HB ASP 30 2HB ASP 30 7.010 0.047 -7.175 220 H ALA 31 H ALA 31 10.530 -1.278 -9.862 221 HA ALA 31 HA ALA 31 12.256 0.945 -10.598 222 1HB ALA 31 1HB ALA 31 13.028 -0.516 -12.472 223 2HB ALA 31 2HB ALA 31 12.921 -1.410 -10.943 224 3HB ALA 31 3HB ALA 31 11.672 -1.636 -12.196 225 H ASP 32 H ASP 32 10.114 -0.674 -12.924 226 HA ASP 32 HA ASP 32 8.789 1.925 -13.757 227 1HB ASP 32 1HB ASP 32 10.228 0.246 -15.885 228 2HB ASP 32 2HB ASP 32 10.946 1.652 -15.133 229 H GLY 33 H GLY 33 6.853 1.164 -13.109 230 1HA GLY 33 1HA GLY 33 5.618 -1.172 -14.679 231 2HA GLY 33 2HA GLY 33 5.387 -1.072 -12.930 232 H GLY 34 H GLY 34 4.088 0.527 -12.035 233 1HA GLY 34 1HA GLY 34 2.726 2.728 -13.416 234 2HA GLY 34 2HA GLY 34 1.704 1.294 -13.559 235 H GLY 35 H GLY 35 3.745 2.722 -10.993 236 1HA GLY 35 1HA GLY 35 3.356 3.068 -8.621 237 2HA GLY 35 2HA GLY 35 1.732 3.556 -9.120 238 H ASP 36 H ASP 36 3.564 0.492 -9.015 239 HA ASP 36 HA ASP 36 1.630 -0.804 -7.116 240 1HB ASP 36 1HB ASP 36 1.061 -2.722 -8.666 241 2HB ASP 36 2HB ASP 36 0.269 -1.204 -9.017 242 H ILE 37 H ILE 37 2.441 -2.693 -6.242 243 HA ILE 37 HA ILE 37 5.132 -3.813 -7.112 244 HB ILE 37 HB ILE 37 6.260 -3.533 -5.030 245 1HG1 ILE 37 1HG1 ILE 37 3.589 -2.622 -3.915 246 2HG1 ILE 37 2HG1 ILE 37 4.990 -1.747 -3.335 247 1HG2 ILE 37 1HG2 ILE 37 6.650 -1.066 -4.997 248 2HG2 ILE 37 2HG2 ILE 37 6.438 -1.627 -6.661 249 3HG2 ILE 37 3HG2 ILE 37 5.109 -0.774 -5.841 250 1HD1 ILE 37 1HD1 ILE 37 6.061 -3.798 -2.454 251 2HD1 ILE 37 2HD1 ILE 37 4.408 -3.633 -1.822 252 3HD1 ILE 37 3HD1 ILE 37 4.745 -4.802 -3.120 253 H SER 38 H SER 38 5.612 -5.768 -5.754 254 HA SER 38 HA SER 38 3.475 -7.706 -5.875 255 1HB SER 38 1HB SER 38 6.162 -7.925 -5.636 256 2HB SER 38 2HB SER 38 5.744 -8.238 -3.950 257 HG SER 38 HG SER 38 3.999 -9.588 -5.318 258 H THR 39 H THR 39 2.281 -8.739 -4.280 259 HA THR 39 HA THR 39 1.346 -7.008 -2.006 260 HB THR 39 HB THR 39 -0.228 -8.285 -3.557 261 HG1 THR 39 HG1 THR 39 -0.268 -8.100 -0.803 262 1HG2 THR 39 1HG2 THR 39 -0.883 -10.583 -2.991 263 2HG2 THR 39 2HG2 THR 39 0.833 -10.581 -3.461 264 3HG2 THR 39 3HG2 THR 39 0.377 -10.701 -1.741 265 H LYS 40 H LYS 40 3.194 -9.953 -2.542 266 HA LYS 40 HA LYS 40 3.149 -11.018 0.203 267 1HB LYS 40 1HB LYS 40 4.395 -11.745 -2.354 268 2HB LYS 40 2HB LYS 40 3.903 -12.769 -1.022 269 1HG LYS 40 1HG LYS 40 6.532 -11.207 -0.864 270 2HG LYS 40 2HG LYS 40 6.062 -12.628 0.047 271 1HD LYS 40 1HD LYS 40 6.480 -12.725 -3.009 272 2HD LYS 40 2HD LYS 40 7.806 -12.891 -1.869 273 1HE LYS 40 1HE LYS 40 5.367 -14.736 -1.645 274 2HE LYS 40 2HE LYS 40 6.976 -14.979 -0.960 275 1HZ LYS 40 1HZ LYS 40 6.183 -16.107 -3.218 276 2HZ LYS 40 2HZ LYS 40 6.828 -14.736 -3.878 277 3HZ LYS 40 3HZ LYS 40 7.769 -15.728 -2.950 278 H GLU 41 H GLU 41 5.199 -8.768 -1.571 279 HA GLU 41 HA GLU 41 7.315 -8.596 0.561 280 1HB GLU 41 1HB GLU 41 7.237 -6.677 -1.781 281 2HB GLU 41 2HB GLU 41 8.612 -7.332 -0.915 282 1HG GLU 41 1HG GLU 41 6.846 -9.152 -2.657 283 2HG GLU 41 2HG GLU 41 8.467 -9.475 -2.065 284 H LEU 42 H LEU 42 4.442 -6.885 -0.447 285 HA LEU 42 HA LEU 42 4.613 -4.236 0.258 286 1HB LEU 42 1HB LEU 42 2.402 -6.254 0.564 287 2HB LEU 42 2HB LEU 42 2.469 -4.792 -0.399 288 HG LEU 42 HG LEU 42 2.268 -3.489 1.899 289 1HD1 LEU 42 1HD1 LEU 42 -0.237 -3.637 1.816 290 2HD1 LEU 42 2HD1 LEU 42 0.452 -3.506 0.191 291 3HD1 LEU 42 3HD1 LEU 42 -0.133 -5.082 0.779 292 1HD2 LEU 42 1HD2 LEU 42 1.211 -6.251 2.808 293 2HD2 LEU 42 2HD2 LEU 42 2.662 -5.429 3.433 294 3HD2 LEU 42 3HD2 LEU 42 1.060 -4.722 3.712 295 H GLY 43 H GLY 43 4.023 -6.827 2.669 296 1HA GLY 43 1HA GLY 43 4.130 -5.431 5.167 297 2HA GLY 43 2HA GLY 43 4.812 -7.047 4.949 298 H THR 44 H THR 44 6.962 -7.048 3.703 299 HA THR 44 HA THR 44 9.082 -6.116 5.202 300 HB THR 44 HB THR 44 8.983 -6.691 2.227 301 HG1 THR 44 HG1 THR 44 10.162 -8.444 2.918 302 1HG2 THR 44 1HG2 THR 44 11.481 -6.683 2.133 303 2HG2 THR 44 2HG2 THR 44 10.843 -5.044 2.382 304 3HG2 THR 44 3HG2 THR 44 11.554 -5.939 3.750 305 H VAL 45 H VAL 45 7.501 -4.311 2.586 306 HA VAL 45 HA VAL 45 9.350 -2.120 2.236 307 HB VAL 45 HB VAL 45 6.345 -2.269 1.761 308 1HG1 VAL 45 1HG1 VAL 45 6.424 -0.051 0.623 309 2HG1 VAL 45 2HG1 VAL 45 6.800 0.127 2.341 310 3HG1 VAL 45 3HG1 VAL 45 8.113 0.187 1.143 311 1HG2 VAL 45 1HG2 VAL 45 8.711 -2.024 -0.213 312 2HG2 VAL 45 2HG2 VAL 45 7.769 -3.499 0.102 313 3HG2 VAL 45 3HG2 VAL 45 6.985 -2.104 -0.651 314 H MET 46 H MET 46 6.460 -2.354 4.341 315 HA MET 46 HA MET 46 6.680 0.264 5.636 316 1HB MET 46 1HB MET 46 5.258 -2.317 6.464 317 2HB MET 46 2HB MET 46 5.304 -0.927 7.534 318 1HG MET 46 1HG MET 46 3.437 -0.161 6.471 319 2HG MET 46 2HG MET 46 4.455 0.206 5.070 320 1HE MET 46 1HE MET 46 1.391 -3.180 5.560 321 2HE MET 46 2HE MET 46 2.790 -3.318 6.665 322 3HE MET 46 3HE MET 46 1.782 -1.842 6.685 323 NH1 ARG 47 NH1 ARG 47 10.602 -9.152 8.243 324 NH2 ARG 47 NH2 ARG 47 12.378 -8.473 7.001 325 H ARG 47 H ARG 47 8.166 -2.870 6.215 326 HA ARG 47 HA ARG 47 9.164 -2.460 8.951 327 1HB ARG 47 1HB ARG 47 9.046 -4.655 7.312 328 2HB ARG 47 2HB ARG 47 10.733 -4.224 7.067 329 1HG ARG 47 1HG ARG 47 11.331 -4.540 9.359 330 2HG ARG 47 2HG ARG 47 9.663 -4.428 9.926 331 1HD ARG 47 1HD ARG 47 9.908 -6.750 10.030 332 2HD ARG 47 2HD ARG 47 9.301 -6.623 8.380 333 HE ARG 47 HE ARG 47 12.304 -6.526 8.615 334 1HH1 ARG 47 1HH1 ARG 47 12.382 -9.429 6.629 335 2HH1 ARG 47 2HH1 ARG 47 13.012 -7.709 6.740 336 1HH2 ARG 47 1HH2 ARG 47 9.832 -8.889 8.869 337 2HH2 ARG 47 2HH2 ARG 47 10.786 -10.084 7.853 338 H MET 48 H MET 48 10.471 -1.777 5.733 339 HA MET 48 HA MET 48 13.146 -0.856 6.773 340 1HB MET 48 1HB MET 48 13.188 -0.135 4.111 341 2HB MET 48 2HB MET 48 11.972 -1.400 4.053 342 1HG MET 48 1HG MET 48 14.162 -2.402 3.584 343 2HG MET 48 2HG MET 48 14.871 -1.702 5.048 344 1HE MET 48 1HE MET 48 15.225 -5.100 5.060 345 2HE MET 48 2HE MET 48 13.619 -5.805 4.711 346 3HE MET 48 3HE MET 48 14.330 -4.611 3.587 347 H LEU 49 H LEU 49 10.302 0.525 7.135 348 HA LEU 49 HA LEU 49 11.212 3.377 6.473 349 1HB LEU 49 1HB LEU 49 8.713 3.891 7.125 350 2HB LEU 49 2HB LEU 49 8.438 2.170 6.965 351 HG LEU 49 HG LEU 49 9.020 2.185 4.579 352 1HD1 LEU 49 1HD1 LEU 49 9.651 5.197 4.801 353 2HD1 LEU 49 2HD1 LEU 49 10.882 3.925 4.710 354 3HD1 LEU 49 3HD1 LEU 49 9.772 4.183 3.341 355 1HD2 LEU 49 1HD2 LEU 49 7.178 3.537 3.669 356 2HD2 LEU 49 2HD2 LEU 49 6.659 2.946 5.266 357 3HD2 LEU 49 3HD2 LEU 49 7.195 4.623 5.082 358 H GLY 50 H GLY 50 10.111 1.125 8.959 359 1HA GLY 50 1HA GLY 50 11.620 1.736 11.182 360 2HA GLY 50 2HA GLY 50 10.542 3.136 11.203 361 H GLN 51 H GLN 51 10.229 -0.387 10.714 362 HA GLN 51 HA GLN 51 8.186 -0.565 12.984 363 1HB GLN 51 1HB GLN 51 7.723 -1.858 10.230 364 2HB GLN 51 2HB GLN 51 6.726 -2.067 11.659 365 1HG GLN 51 1HG GLN 51 7.153 0.762 10.600 366 2HG GLN 51 2HG GLN 51 6.077 -0.308 9.725 367 1HE2 GLN 51 1HE2 GLN 51 4.174 1.645 12.430 368 2HE2 GLN 51 2HE2 GLN 51 5.283 2.088 11.037 369 H ASN 52 H ASN 52 7.940 -2.788 13.722 370 HA ASN 52 HA ASN 52 10.375 -4.547 13.226 371 1HB ASN 52 1HB ASN 52 9.455 -4.060 16.084 372 2HB ASN 52 2HB ASN 52 10.445 -2.849 15.298 373 1HD2 ASN 52 1HD2 ASN 52 13.094 -4.875 16.758 374 2HD2 ASN 52 2HD2 ASN 52 12.175 -3.287 16.753 375 HA PRO 53 HA PRO 53 6.293 -7.006 14.071 376 1HB PRO 53 1HB PRO 53 5.248 -7.552 11.589 377 2HB PRO 53 2HB PRO 53 5.018 -6.013 12.432 378 1HG PRO 53 1HG PRO 53 5.951 -5.106 10.511 379 2HG PRO 53 2HG PRO 53 6.861 -6.572 10.078 380 1HD PRO 53 1HD PRO 53 7.728 -4.225 11.693 381 2HD PRO 53 2HD PRO 53 8.728 -5.585 11.099 382 H THR 54 H THR 54 5.648 -9.275 12.915 383 HA THR 54 HA THR 54 8.206 -10.913 12.536 384 HB THR 54 HB THR 54 7.383 -12.664 13.693 385 HG1 THR 54 HG1 THR 54 4.690 -12.004 13.258 386 1HG2 THR 54 1HG2 THR 54 5.969 -12.082 15.637 387 2HG2 THR 54 2HG2 THR 54 7.148 -10.783 15.343 388 3HG2 THR 54 3HG2 THR 54 5.446 -10.568 14.860 389 H LYS 55 H LYS 55 7.486 -13.067 11.296 390 HA LYS 55 HA LYS 55 6.886 -12.120 8.497 391 1HB LYS 55 1HB LYS 55 7.873 -14.092 7.701 392 2HB LYS 55 2HB LYS 55 7.427 -15.048 9.099 393 1HG LYS 55 1HG LYS 55 9.421 -12.810 9.559 394 2HG LYS 55 2HG LYS 55 9.297 -14.366 10.355 395 1HD LYS 55 1HD LYS 55 10.094 -14.347 7.404 396 2HD LYS 55 2HD LYS 55 11.253 -13.758 8.584 397 1HE LYS 55 1HE LYS 55 10.653 -16.077 9.866 398 2HE LYS 55 2HE LYS 55 10.204 -16.597 8.241 399 1HZ LYS 55 1HZ LYS 55 12.561 -15.530 7.698 400 2HZ LYS 55 2HZ LYS 55 12.845 -15.874 9.289 401 3HZ LYS 55 3HZ LYS 55 12.421 -17.082 8.245 402 H GLU 56 H GLU 56 5.523 -14.165 11.025 403 HA GLU 56 HA GLU 56 3.376 -15.424 9.436 404 1HB GLU 56 1HB GLU 56 3.849 -15.182 12.439 405 2HB GLU 56 2HB GLU 56 2.357 -15.857 11.815 406 1HG GLU 56 1HG GLU 56 5.176 -17.003 11.705 407 2HG GLU 56 2HG GLU 56 4.094 -17.420 10.387 408 H GLU 57 H GLU 57 3.695 -12.488 11.354 409 HA GLU 57 HA GLU 57 0.835 -11.708 11.448 410 1HB GLU 57 1HB GLU 57 3.255 -9.849 11.714 411 2HB GLU 57 2HB GLU 57 1.601 -9.487 12.167 412 1HG GLU 57 1HG GLU 57 2.807 -11.929 13.500 413 2HG GLU 57 2HG GLU 57 3.542 -10.390 13.915 414 H LEU 58 H LEU 58 3.513 -11.285 9.205 415 HA LEU 58 HA LEU 58 2.516 -9.244 7.425 416 1HB LEU 58 1HB LEU 58 4.801 -10.668 7.446 417 2HB LEU 58 2HB LEU 58 3.961 -11.669 6.281 418 HG LEU 58 HG LEU 58 4.862 -8.765 6.003 419 1HD1 LEU 58 1HD1 LEU 58 5.798 -9.612 3.827 420 2HD1 LEU 58 2HD1 LEU 58 6.418 -10.538 5.201 421 3HD1 LEU 58 3HD1 LEU 58 5.147 -11.235 4.167 422 1HD2 LEU 58 1HD2 LEU 58 2.720 -10.064 4.188 423 2HD2 LEU 58 2HD2 LEU 58 2.452 -8.703 5.306 424 3HD2 LEU 58 3HD2 LEU 58 3.523 -8.498 3.908 425 H ASP 59 H ASP 59 1.932 -12.752 7.482 426 HA ASP 59 HA ASP 59 0.258 -12.847 5.040 427 1HB ASP 59 1HB ASP 59 0.216 -15.004 7.214 428 2HB ASP 59 2HB ASP 59 -0.207 -15.154 5.521 429 H ALA 60 H ALA 60 -0.308 -12.123 8.403 430 HA ALA 60 HA ALA 60 -3.136 -12.467 8.769 431 1HB ALA 60 1HB ALA 60 -3.023 -10.556 10.360 432 2HB ALA 60 2HB ALA 60 -1.651 -11.660 10.576 433 3HB ALA 60 3HB ALA 60 -1.416 -10.099 9.748 434 H ILE 61 H ILE 61 -1.372 -9.780 7.200 435 HA ILE 61 HA ILE 61 -3.506 -8.049 6.487 436 HB ILE 61 HB ILE 61 -0.951 -8.545 4.881 437 1HG1 ILE 61 1HG1 ILE 61 -1.391 -6.028 6.542 438 2HG1 ILE 61 2HG1 ILE 61 -1.029 -7.500 7.417 439 1HG2 ILE 61 1HG2 ILE 61 -1.381 -6.344 3.757 440 2HG2 ILE 61 2HG2 ILE 61 -2.676 -7.486 3.404 441 3HG2 ILE 61 3HG2 ILE 61 -2.942 -6.197 4.600 442 1HD1 ILE 61 1HD1 ILE 61 0.809 -6.270 5.281 443 2HD1 ILE 61 2HD1 ILE 61 1.059 -6.312 7.039 444 3HD1 ILE 61 3HD1 ILE 61 1.102 -7.826 6.105 445 H ILE 62 H ILE 62 -2.208 -10.928 4.869 446 HA ILE 62 HA ILE 62 -3.687 -10.876 2.374 447 HB ILE 62 HB ILE 62 -2.884 -12.936 1.890 448 1HG1 ILE 62 1HG1 ILE 62 -2.402 -14.567 4.162 449 2HG1 ILE 62 2HG1 ILE 62 -3.913 -13.782 4.569 450 1HG2 ILE 62 1HG2 ILE 62 -0.662 -13.354 2.969 451 2HG2 ILE 62 2HG2 ILE 62 -0.901 -11.627 2.710 452 3HG2 ILE 62 3HG2 ILE 62 -1.107 -12.308 4.340 453 1HD1 ILE 62 1HD1 ILE 62 -3.475 -15.472 2.037 454 2HD1 ILE 62 2HD1 ILE 62 -4.432 -15.889 3.474 455 3HD1 ILE 62 3HD1 ILE 62 -4.967 -14.567 2.412 456 H GLU 63 H GLU 63 -4.527 -12.077 5.594 457 HA GLU 63 HA GLU 63 -7.093 -13.302 5.051 458 1HB GLU 63 1HB GLU 63 -5.611 -13.012 7.318 459 2HB GLU 63 2HB GLU 63 -6.820 -11.786 7.643 460 1HG GLU 63 1HG GLU 63 -8.607 -13.678 7.125 461 2HG GLU 63 2HG GLU 63 -7.773 -13.672 8.669 462 H GLU 64 H GLU 64 -6.278 -9.933 5.897 463 HA GLU 64 HA GLU 64 -9.097 -9.041 5.086 464 1HB GLU 64 1HB GLU 64 -7.649 -8.586 7.514 465 2HB GLU 64 2HB GLU 64 -7.683 -7.042 6.687 466 1HG GLU 64 1HG GLU 64 -10.090 -6.910 6.738 467 2HG GLU 64 2HG GLU 64 -10.284 -8.635 6.998 468 H VAL 65 H VAL 65 -7.016 -9.487 3.215 469 HA VAL 65 HA VAL 65 -7.114 -6.836 1.803 470 HB VAL 65 HB VAL 65 -4.375 -8.064 2.409 471 1HG1 VAL 65 1HG1 VAL 65 -3.403 -6.191 1.067 472 2HG1 VAL 65 2HG1 VAL 65 -4.449 -7.211 0.060 473 3HG1 VAL 65 3HG1 VAL 65 -5.032 -5.625 0.622 474 1HG2 VAL 65 1HG2 VAL 65 -5.515 -5.317 3.277 475 2HG2 VAL 65 2HG2 VAL 65 -5.179 -6.702 4.344 476 3HG2 VAL 65 3HG2 VAL 65 -3.843 -5.879 3.527 477 H ASP 66 H ASP 66 -5.397 -9.991 1.682 478 HA ASP 66 HA ASP 66 -6.183 -10.382 -1.213 479 1HB ASP 66 1HB ASP 66 -4.549 -12.441 0.320 480 2HB ASP 66 2HB ASP 66 -3.812 -10.907 -0.079 481 H GLU 67 H GLU 67 -8.364 -10.312 0.303 482 HA GLU 67 HA GLU 67 -9.395 -12.966 1.181 483 1HB GLU 67 1HB GLU 67 -10.827 -10.342 0.545 484 2HB GLU 67 2HB GLU 67 -11.697 -11.807 0.953 485 1HG GLU 67 1HG GLU 67 -10.580 -11.888 3.203 486 2HG GLU 67 2HG GLU 67 -9.594 -10.494 2.792 487 H ASP 68 H ASP 68 -9.907 -10.901 -1.693 488 HA ASP 68 HA ASP 68 -10.871 -13.289 -3.325 489 1HB ASP 68 1HB ASP 68 -11.883 -11.861 -4.858 490 2HB ASP 68 2HB ASP 68 -12.145 -11.029 -3.342 491 H GLY 69 H GLY 69 -9.989 -12.189 -5.827 492 1HA GLY 69 1HA GLY 69 -7.133 -13.144 -5.883 493 2HA GLY 69 2HA GLY 69 -8.115 -12.728 -7.292 494 H SER 70 H SER 70 -6.464 -11.267 -4.508 495 HA SER 70 HA SER 70 -6.010 -8.653 -6.031 496 1HB SER 70 1HB SER 70 -6.064 -9.360 -3.086 497 2HB SER 70 2HB SER 70 -5.024 -8.030 -3.604 498 HG SER 70 HG SER 70 -6.990 -7.196 -3.212 499 H GLY 71 H GLY 71 -4.497 -9.732 -7.446 500 1HA GLY 71 1HA GLY 71 -1.990 -11.033 -6.476 501 2HA GLY 71 2HA GLY 71 -2.345 -10.597 -8.150 502 H THR 72 H THR 72 -2.996 -7.818 -7.500 503 HA THR 72 HA THR 72 -0.182 -6.738 -7.021 504 HB THR 72 HB THR 72 -0.884 -4.830 -8.644 505 HG1 THR 72 HG1 THR 72 -2.829 -5.111 -9.213 506 1HG2 THR 72 1HG2 THR 72 -0.518 -7.412 -10.216 507 2HG2 THR 72 2HG2 THR 72 0.192 -5.807 -10.499 508 3HG2 THR 72 3HG2 THR 72 0.812 -6.839 -9.184 509 H ILE 73 H ILE 73 -0.016 -4.682 -6.068 510 HA ILE 73 HA ILE 73 -2.512 -3.566 -4.743 511 HB ILE 73 HB ILE 73 -1.364 -4.884 -3.058 512 1HG1 ILE 73 1HG1 ILE 73 -2.029 -3.462 -1.431 513 2HG1 ILE 73 2HG1 ILE 73 -2.404 -2.357 -2.741 514 1HG2 ILE 73 1HG2 ILE 73 0.858 -4.396 -2.103 515 2HG2 ILE 73 2HG2 ILE 73 1.038 -4.726 -3.832 516 3HG2 ILE 73 3HG2 ILE 73 1.112 -3.049 -3.237 517 1HD1 ILE 73 1HD1 ILE 73 0.059 -1.423 -2.463 518 2HD1 ILE 73 2HD1 ILE 73 -1.174 -0.994 -1.258 519 3HD1 ILE 73 3HD1 ILE 73 0.023 -2.257 -0.885 520 H ASP 74 H ASP 74 -2.488 -1.325 -4.349 521 HA ASP 74 HA ASP 74 -0.633 0.236 -6.228 522 1HB ASP 74 1HB ASP 74 -2.715 1.887 -6.289 523 2HB ASP 74 2HB ASP 74 -2.586 0.520 -7.372 524 H PHE 75 H PHE 75 -0.707 2.651 -5.651 525 HA PHE 75 HA PHE 75 0.565 2.918 -2.995 526 1HB PHE 75 1HB PHE 75 1.376 4.166 -4.987 527 2HB PHE 75 2HB PHE 75 -0.122 5.052 -5.104 528 HD1 PHE 75 HD1 PHE 75 -0.485 7.051 -3.724 529 HD2 PHE 75 HD2 PHE 75 2.899 4.517 -2.919 530 HE1 PHE 75 HE1 PHE 75 0.497 8.798 -2.295 531 HE2 PHE 75 HE2 PHE 75 3.866 6.279 -1.496 532 HZ PHE 75 HZ PHE 75 2.643 8.394 -1.136 533 H GLU 76 H GLU 76 -2.580 3.653 -4.386 534 HA GLU 76 HA GLU 76 -3.673 5.423 -2.347 535 1HB GLU 76 1HB GLU 76 -5.010 3.573 -4.367 536 2HB GLU 76 2HB GLU 76 -5.965 4.430 -3.174 537 1HG GLU 76 1HG GLU 76 -5.880 5.629 -5.374 538 2HG GLU 76 2HG GLU 76 -4.131 5.744 -5.280 539 H GLU 77 H GLU 77 -4.034 1.897 -2.790 540 HA GLU 77 HA GLU 77 -5.465 1.303 -0.295 541 1HB GLU 77 1HB GLU 77 -3.888 -0.413 -2.240 542 2HB GLU 77 2HB GLU 77 -4.331 -1.082 -0.682 543 1HG GLU 77 1HG GLU 77 -6.684 -1.010 -1.158 544 2HG GLU 77 2HG GLU 77 -6.507 0.213 -2.404 545 H PHE 78 H PHE 78 -2.072 1.672 -1.157 546 HA PHE 78 HA PHE 78 -0.792 0.503 1.167 547 1HB PHE 78 1HB PHE 78 0.439 1.084 -0.915 548 2HB PHE 78 2HB PHE 78 0.217 2.790 -0.630 549 HD1 PHE 78 HD1 PHE 78 1.098 3.537 1.929 550 HD2 PHE 78 HD2 PHE 78 2.531 0.171 -0.336 551 HE1 PHE 78 HE1 PHE 78 3.232 3.606 3.155 552 HE2 PHE 78 HE2 PHE 78 4.668 0.275 0.879 553 HZ PHE 78 HZ PHE 78 5.013 1.971 2.643 554 H LEU 79 H LEU 79 -1.996 3.786 0.524 555 HA LEU 79 HA LEU 79 -1.040 5.065 3.021 556 1HB LEU 79 1HB LEU 79 -2.734 6.876 2.451 557 2HB LEU 79 2HB LEU 79 -3.300 5.901 1.111 558 HG LEU 79 HG LEU 79 -0.976 6.019 0.065 559 1HD1 LEU 79 1HD1 LEU 79 -0.364 8.120 2.240 560 2HD1 LEU 79 2HD1 LEU 79 0.301 6.476 2.227 561 3HD1 LEU 79 3HD1 LEU 79 0.711 7.609 0.914 562 1HD2 LEU 79 1HD2 LEU 79 -1.226 8.297 -0.824 563 2HD2 LEU 79 2HD2 LEU 79 -2.866 7.659 -0.544 564 3HD2 LEU 79 3HD2 LEU 79 -2.167 8.816 0.598 565 H VAL 80 H VAL 80 -3.927 3.318 2.004 566 HA VAL 80 HA VAL 80 -5.717 3.967 4.206 567 HB VAL 80 HB VAL 80 -5.681 1.836 2.098 568 1HG1 VAL 80 1HG1 VAL 80 -8.024 3.561 3.114 569 2HG1 VAL 80 2HG1 VAL 80 -6.879 4.117 1.886 570 3HG1 VAL 80 3HG1 VAL 80 -7.894 2.693 1.562 571 1HG2 VAL 80 1HG2 VAL 80 -7.528 0.513 3.016 572 2HG2 VAL 80 2HG2 VAL 80 -6.218 0.478 4.219 573 3HG2 VAL 80 3HG2 VAL 80 -7.620 1.526 4.478 574 H MET 81 H MET 81 -3.162 1.574 3.793 575 HA MET 81 HA MET 81 -3.706 -0.086 6.159 576 1HB MET 81 1HB MET 81 -0.982 0.235 4.772 577 2HB MET 81 2HB MET 81 -1.488 -1.077 5.821 578 1HG MET 81 1HG MET 81 -2.598 -0.473 3.010 579 2HG MET 81 2HG MET 81 -1.579 -1.839 3.491 580 1HE MET 81 1HE MET 81 -3.006 -4.387 4.463 581 2HE MET 81 2HE MET 81 -2.095 -3.262 5.514 582 3HE MET 81 3HE MET 81 -3.721 -3.819 6.005 583 H MET 82 H MET 82 -1.398 2.567 5.530 584 HA MET 82 HA MET 82 -0.029 2.612 8.078 585 1HB MET 82 1HB MET 82 0.619 4.975 7.557 586 2HB MET 82 2HB MET 82 -0.556 5.029 6.256 587 1HG MET 82 1HG MET 82 0.765 2.991 5.203 588 2HG MET 82 2HG MET 82 1.478 4.610 5.116 589 1HE MET 82 1HE MET 82 4.210 4.855 7.602 590 2HE MET 82 2HE MET 82 2.654 5.616 7.155 591 3HE MET 82 3HE MET 82 2.781 4.673 8.668 592 H VAL 83 H VAL 83 -2.726 4.687 6.964 593 HA VAL 83 HA VAL 83 -3.349 6.123 9.345 594 HB VAL 83 HB VAL 83 -5.339 5.113 7.250 595 1HG1 VAL 83 1HG1 VAL 83 -6.903 6.886 8.063 596 2HG1 VAL 83 2HG1 VAL 83 -6.590 5.699 9.337 597 3HG1 VAL 83 3HG1 VAL 83 -5.790 7.287 9.396 598 1HG2 VAL 83 1HG2 VAL 83 -3.991 7.882 7.522 599 2HG2 VAL 83 2HG2 VAL 83 -3.635 6.672 6.267 600 3HG2 VAL 83 3HG2 VAL 83 -5.231 7.434 6.321 601 NH1 ARG 84 NH1 ARG 84 -9.886 -1.188 8.600 602 NH2 ARG 84 NH2 ARG 84 -8.804 -1.574 6.641 603 H ARG 84 H ARG 84 -4.056 2.786 8.473 604 HA ARG 84 HA ARG 84 -5.907 2.041 10.620 605 1HB ARG 84 1HB ARG 84 -3.922 -0.008 9.574 606 2HB ARG 84 2HB ARG 84 -5.018 0.738 8.421 607 1HG ARG 84 1HG ARG 84 -5.899 -1.426 9.360 608 2HG ARG 84 2HG ARG 84 -5.941 -0.716 10.975 609 1HD ARG 84 1HD ARG 84 -8.171 -0.367 10.313 610 2HD ARG 84 2HD ARG 84 -7.463 1.180 9.853 611 HE ARG 84 HE ARG 84 -7.425 0.399 7.449 612 1HH1 ARG 84 1HH1 ARG 84 -9.566 -2.232 6.441 613 2HH1 ARG 84 2HH1 ARG 84 -8.024 -1.330 6.021 614 1HH2 ARG 84 1HH2 ARG 84 -9.856 -0.782 9.542 615 2HH2 ARG 84 2HH2 ARG 84 -10.649 -1.742 8.195 616 H GLN 85 H GLN 85 -2.477 1.047 10.377 617 HA GLN 85 HA GLN 85 -2.256 0.169 13.164 618 1HB GLN 85 1HB GLN 85 0.297 0.970 11.787 619 2HB GLN 85 2HB GLN 85 -0.711 -0.160 10.898 620 1HG GLN 85 1HG GLN 85 -0.703 -1.767 12.802 621 2HG GLN 85 2HG GLN 85 0.185 -0.640 13.807 622 1HE2 GLN 85 1HE2 GLN 85 2.592 -3.137 12.208 623 2HE2 GLN 85 2HE2 GLN 85 0.997 -3.306 13.098 624 H MET 86 H MET 86 -0.556 2.888 11.586 625 HA MET 86 HA MET 86 0.669 4.162 13.772 626 1HB MET 86 1HB MET 86 -0.432 6.251 12.013 627 2HB MET 86 2HB MET 86 0.134 4.892 11.060 628 1HG MET 86 1HG MET 86 2.041 5.817 13.223 629 2HG MET 86 2HG MET 86 2.377 5.251 11.579 630 1HE MET 86 1HE MET 86 3.197 8.319 13.460 631 2HE MET 86 2HE MET 86 1.975 9.547 13.018 632 3HE MET 86 3HE MET 86 1.488 8.102 13.952 633 H LYS 87 H LYS 87 -2.722 4.289 12.852 634 HA LYS 87 HA LYS 87 -3.581 6.433 14.704 635 1HB LYS 87 1HB LYS 87 -5.002 5.924 12.795 636 2HB LYS 87 2HB LYS 87 -5.166 4.240 13.248 637 1HG LYS 87 1HG LYS 87 -6.130 6.237 15.298 638 2HG LYS 87 2HG LYS 87 -6.795 4.674 14.867 639 1HD LYS 87 1HD LYS 87 -7.023 6.791 12.711 640 2HD LYS 87 2HD LYS 87 -8.144 5.523 13.181 641 1HE LYS 87 1HE LYS 87 -9.077 6.775 14.994 642 2HE LYS 87 2HE LYS 87 -7.710 7.887 15.088 643 1HZ LYS 87 1HZ LYS 87 -9.167 9.171 13.932 644 2HZ LYS 87 2HZ LYS 87 -8.546 8.397 12.611 645 3HZ LYS 87 3HZ LYS 87 -9.986 7.906 13.255 646 H GLU 88 H GLU 88 -3.991 2.869 14.794 647 HA GLU 88 HA GLU 88 -4.871 2.721 17.598 648 1HB GLU 88 1HB GLU 88 -3.949 0.649 15.579 649 2HB GLU 88 2HB GLU 88 -4.071 0.195 17.267 650 1HG GLU 88 1HG GLU 88 -6.474 1.552 15.940 651 2HG GLU 88 2HG GLU 88 -6.128 -0.127 15.561 652 H ASP 89 H ASP 89 -3.568 1.331 19.177 653 HA ASP 89 HA ASP 89 -0.566 1.674 19.082 654 1HB ASP 89 1HB ASP 89 -2.263 3.082 21.210 655 2HB ASP 89 2HB ASP 89 -1.137 3.801 20.082 656 H ALA 90 H ALA 90 -2.867 1.117 21.744 657 HA ALA 90 HA ALA 90 -1.456 -1.426 22.544 658 1HB ALA 90 1HB ALA 90 -2.627 -1.290 24.617 659 2HB ALA 90 2HB ALA 90 -2.417 0.420 24.191 660 3HB ALA 90 3HB ALA 90 -3.992 -0.371 23.933 Start of MODEL 7 Raw file had 660 H/Q atoms Start of MODEL 7 1 1H ALA 1 1H ALA 1 -17.232 -1.462 2.419 2 2H ALA 1 2H ALA 1 -17.419 -2.853 3.346 3 3H ALA 1 3H ALA 1 -17.723 -2.898 1.692 4 HA ALA 1 HA ALA 1 -19.671 -1.767 1.811 5 1HB ALA 1 1HB ALA 1 -21.018 -3.134 3.191 6 2HB ALA 1 2HB ALA 1 -19.555 -4.127 3.044 7 3HB ALA 1 3HB ALA 1 -19.843 -3.181 4.527 8 H SER 2 H SER 2 -17.920 -1.550 4.913 9 HA SER 2 HA SER 2 -19.442 0.903 5.806 10 1HB SER 2 1HB SER 2 -17.399 -0.918 7.154 11 2HB SER 2 2HB SER 2 -17.812 0.650 7.852 12 HG SER 2 HG SER 2 -19.919 -0.960 6.989 13 H MET 3 H MET 3 -16.295 -0.037 4.543 14 HA MET 3 HA MET 3 -15.145 2.766 4.830 15 1HB MET 3 1HB MET 3 -12.979 1.777 4.134 16 2HB MET 3 2HB MET 3 -13.744 0.232 3.811 17 1HG MET 3 1HG MET 3 -12.737 1.297 6.370 18 2HG MET 3 2HG MET 3 -14.430 0.806 6.540 19 1HE MET 3 1HE MET 3 -11.982 -1.586 3.821 20 2HE MET 3 2HE MET 3 -11.387 -0.039 4.495 21 3HE MET 3 3HE MET 3 -10.796 -1.588 5.164 22 H THR 4 H THR 4 -17.357 2.306 3.093 23 HA THR 4 HA THR 4 -16.824 2.056 0.268 24 HB THR 4 HB THR 4 -18.714 3.969 0.131 25 HG1 THR 4 HG1 THR 4 -18.406 4.152 2.509 26 1HG2 THR 4 1HG2 THR 4 -20.489 2.265 0.299 27 2HG2 THR 4 2HG2 THR 4 -19.112 1.580 -0.592 28 3HG2 THR 4 3HG2 THR 4 -19.400 1.115 1.105 29 H ASP 5 H ASP 5 -15.961 4.555 2.546 30 HA ASP 5 HA ASP 5 -14.287 5.970 0.480 31 1HB ASP 5 1HB ASP 5 -16.815 7.198 1.506 32 2HB ASP 5 2HB ASP 5 -15.413 8.230 1.664 33 H GLN 6 H GLN 6 -13.492 4.375 2.500 34 HA GLN 6 HA GLN 6 -12.529 6.038 4.847 35 1HB GLN 6 1HB GLN 6 -13.180 3.531 5.007 36 2HB GLN 6 2HB GLN 6 -11.696 3.177 4.139 37 1HG GLN 6 1HG GLN 6 -10.731 4.811 6.199 38 2HG GLN 6 2HG GLN 6 -12.071 4.014 6.997 39 1HE2 GLN 6 1HE2 GLN 6 -9.675 1.407 7.679 40 2HE2 GLN 6 2HE2 GLN 6 -10.685 2.791 8.334 41 H GLN 7 H GLN 7 -11.389 4.605 1.826 42 HA GLN 7 HA GLN 7 -8.535 4.837 2.034 43 1HB GLN 7 1HB GLN 7 -9.932 5.505 -0.603 44 2HB GLN 7 2HB GLN 7 -8.380 4.731 -0.337 45 1HG GLN 7 1HG GLN 7 -9.345 2.706 -0.543 46 2HG GLN 7 2HG GLN 7 -10.246 2.975 0.934 47 1HE2 GLN 7 1HE2 GLN 7 -12.282 2.735 -2.543 48 2HE2 GLN 7 2HE2 GLN 7 -10.521 2.277 -2.313 49 H ALA 8 H ALA 8 -10.887 7.261 0.846 50 HA ALA 8 HA ALA 8 -8.995 9.373 0.149 51 1HB ALA 8 1HB ALA 8 -11.677 9.015 -0.258 52 2HB ALA 8 2HB ALA 8 -11.742 10.229 1.034 53 3HB ALA 8 3HB ALA 8 -10.861 10.581 -0.474 54 H GLU 9 H GLU 9 -10.607 8.461 3.146 55 HA GLU 9 HA GLU 9 -10.094 10.907 4.728 56 1HB GLU 9 1HB GLU 9 -11.381 9.948 6.270 57 2HB GLU 9 2HB GLU 9 -11.654 8.653 5.121 58 1HG GLU 9 1HG GLU 9 -9.802 7.299 6.168 59 2HG GLU 9 2HG GLU 9 -9.440 8.614 7.273 60 H ALA 10 H ALA 10 -8.354 7.916 4.051 61 HA ALA 10 HA ALA 10 -6.229 8.048 6.047 62 1HB ALA 10 1HB ALA 10 -4.983 6.492 4.556 63 2HB ALA 10 2HB ALA 10 -6.676 5.995 4.735 64 3HB ALA 10 3HB ALA 10 -6.135 6.786 3.233 65 NH1 ARG 11 NH1 ARG 11 -6.786 14.806 -0.855 66 NH2 ARG 11 NH2 ARG 11 -8.376 13.915 -2.211 67 H ARG 11 H ARG 11 -6.555 9.417 2.788 68 HA ARG 11 HA ARG 11 -3.807 10.562 2.589 69 1HB ARG 11 1HB ARG 11 -4.801 10.096 0.483 70 2HB ARG 11 2HB ARG 11 -6.349 10.799 0.934 71 1HG ARG 11 1HG ARG 11 -5.376 13.108 0.896 72 2HG ARG 11 2HG ARG 11 -3.789 12.454 0.483 73 1HD ARG 11 1HD ARG 11 -4.657 13.109 -1.638 74 2HD ARG 11 2HD ARG 11 -4.933 11.369 -1.620 75 HE ARG 11 HE ARG 11 -7.348 11.754 -1.371 76 1HH1 ARG 11 1HH1 ARG 11 -8.730 14.875 -2.294 77 2HH1 ARG 11 2HH1 ARG 11 -8.787 13.070 -2.623 78 1HH2 ARG 11 1HH2 ARG 11 -5.882 14.684 -0.386 79 2HH2 ARG 11 2HH2 ARG 11 -7.356 15.660 -0.880 80 H ALA 12 H ALA 12 -6.974 11.646 3.688 81 HA ALA 12 HA ALA 12 -6.161 14.514 4.054 82 1HB ALA 12 1HB ALA 12 -8.484 14.834 4.884 83 2HB ALA 12 2HB ALA 12 -8.473 13.963 3.338 84 3HB ALA 12 3HB ALA 12 -8.774 13.078 4.854 85 H PHE 13 H PHE 13 -4.939 12.124 5.623 86 HA PHE 13 HA PHE 13 -5.253 13.334 8.420 87 1HB PHE 13 1HB PHE 13 -5.945 10.940 8.287 88 2HB PHE 13 2HB PHE 13 -4.385 10.480 7.657 89 HD1 PHE 13 HD1 PHE 13 -3.746 8.974 9.471 90 HD2 PHE 13 HD2 PHE 13 -4.874 13.021 10.411 91 HE1 PHE 13 HE1 PHE 13 -2.921 8.683 11.771 92 HE2 PHE 13 HE2 PHE 13 -4.053 12.705 12.708 93 HZ PHE 13 HZ PHE 13 -3.054 10.549 13.386 94 H LEU 14 H LEU 14 -3.061 12.194 5.900 95 HA LEU 14 HA LEU 14 -0.567 13.166 7.313 96 1HB LEU 14 1HB LEU 14 -0.402 12.291 4.438 97 2HB LEU 14 2HB LEU 14 0.682 11.977 5.776 98 HG LEU 14 HG LEU 14 -2.033 10.601 5.844 99 1HD1 LEU 14 1HD1 LEU 14 -1.236 8.758 4.358 100 2HD1 LEU 14 2HD1 LEU 14 -1.329 10.286 3.464 101 3HD1 LEU 14 3HD1 LEU 14 0.255 9.663 3.989 102 1HD2 LEU 14 1HD2 LEU 14 0.810 9.665 6.625 103 2HD2 LEU 14 2HD2 LEU 14 -0.455 10.226 7.745 104 3HD2 LEU 14 3HD2 LEU 14 -0.688 8.724 6.838 105 H SER 15 H SER 15 0.930 14.255 5.419 106 HA SER 15 HA SER 15 -0.509 16.827 4.617 107 1HB SER 15 1HB SER 15 2.296 16.194 5.518 108 2HB SER 15 2HB SER 15 2.119 17.487 4.329 109 HG SER 15 HG SER 15 1.911 17.936 6.687 110 H GLU 16 H GLU 16 0.256 17.845 2.601 111 HA GLU 16 HA GLU 16 0.152 15.997 0.276 112 1HB GLU 16 1HB GLU 16 -0.640 18.607 0.654 113 2HB GLU 16 2HB GLU 16 0.851 18.870 -0.228 114 1HG GLU 16 1HG GLU 16 -0.166 17.044 -1.937 115 2HG GLU 16 2HG GLU 16 -1.690 17.444 -1.161 116 H GLU 17 H GLU 17 2.593 17.889 1.947 117 HA GLU 17 HA GLU 17 4.748 17.563 -0.107 118 1HB GLU 17 1HB GLU 17 4.684 18.776 2.674 119 2HB GLU 17 2HB GLU 17 6.231 18.357 1.966 120 1HG GLU 17 1HG GLU 17 5.923 19.925 0.105 121 2HG GLU 17 2HG GLU 17 4.220 20.145 0.471 122 H MET 18 H MET 18 3.697 15.989 2.863 123 HA MET 18 HA MET 18 6.019 14.230 3.290 124 1HB MET 18 1HB MET 18 3.250 14.435 4.442 125 2HB MET 18 2HB MET 18 4.810 14.344 5.239 126 1HG MET 18 1HG MET 18 3.152 12.005 4.135 127 2HG MET 18 2HG MET 18 4.864 11.812 4.541 128 1HE MET 18 1HE MET 18 4.458 10.105 7.217 129 2HE MET 18 2HE MET 18 5.667 11.088 6.340 130 3HE MET 18 3HE MET 18 5.266 11.477 8.038 131 H ILE 19 H ILE 19 3.045 14.009 1.418 132 HA ILE 19 HA ILE 19 3.166 11.205 0.556 133 HB ILE 19 HB ILE 19 1.907 13.653 -0.763 134 1HG1 ILE 19 1HG1 ILE 19 0.638 11.197 0.627 135 2HG1 ILE 19 2HG1 ILE 19 0.770 12.798 1.322 136 1HG2 ILE 19 1HG2 ILE 19 0.817 12.139 -2.435 137 2HG2 ILE 19 2HG2 ILE 19 2.570 12.078 -2.608 138 3HG2 ILE 19 3HG2 ILE 19 1.721 10.744 -1.795 139 1HD1 ILE 19 1HD1 ILE 19 -0.963 12.118 -1.125 140 2HD1 ILE 19 2HD1 ILE 19 -1.507 12.512 0.519 141 3HD1 ILE 19 3HD1 ILE 19 -0.721 13.762 -0.474 142 H ALA 20 H ALA 20 4.550 14.228 -0.718 143 HA ALA 20 HA ALA 20 5.674 13.481 -3.190 144 1HB ALA 20 1HB ALA 20 6.975 15.403 -3.073 145 2HB ALA 20 2HB ALA 20 5.801 15.756 -1.790 146 3HB ALA 20 3HB ALA 20 7.432 15.174 -1.369 147 H GLU 21 H GLU 21 7.313 13.182 -0.016 148 HA GLU 21 HA GLU 21 9.698 11.779 -1.121 149 1HB GLU 21 1HB GLU 21 10.062 11.385 1.516 150 2HB GLU 21 2HB GLU 21 10.472 12.873 0.687 151 1HG GLU 21 1HG GLU 21 7.777 12.478 2.136 152 2HG GLU 21 2HG GLU 21 8.413 13.985 1.497 153 H PHE 22 H PHE 22 6.678 10.895 0.447 154 HA PHE 22 HA PHE 22 7.023 8.197 1.243 155 1HB PHE 22 1HB PHE 22 4.857 9.742 1.212 156 2HB PHE 22 2HB PHE 22 4.510 8.982 -0.319 157 HD1 PHE 22 HD1 PHE 22 4.945 6.169 -0.131 158 HD2 PHE 22 HD2 PHE 22 3.770 8.785 3.079 159 HE1 PHE 22 HE1 PHE 22 3.819 4.296 0.996 160 HE2 PHE 22 HE2 PHE 22 2.687 6.887 4.213 161 HZ PHE 22 HZ PHE 22 2.733 4.638 3.191 162 H LYS 23 H LYS 23 5.633 9.059 -1.933 163 HA LYS 23 HA LYS 23 5.714 6.546 -3.237 164 1HB LYS 23 1HB LYS 23 6.352 8.294 -5.356 165 2HB LYS 23 2HB LYS 23 4.754 7.796 -4.844 166 1HG LYS 23 1HG LYS 23 4.608 9.819 -3.338 167 2HG LYS 23 2HG LYS 23 6.223 10.303 -3.817 168 1HD LYS 23 1HD LYS 23 4.090 9.933 -5.990 169 2HD LYS 23 2HD LYS 23 4.029 11.346 -4.950 170 1HE LYS 23 1HE LYS 23 6.037 12.280 -5.775 171 2HE LYS 23 2HE LYS 23 6.698 10.731 -6.301 172 1HZ LYS 23 1HZ LYS 23 5.434 10.782 -8.228 173 2HZ LYS 23 2HZ LYS 23 4.256 11.761 -7.610 174 3HZ LYS 23 3HZ LYS 23 5.724 12.395 -8.023 175 H ALA 24 H ALA 24 8.338 8.845 -2.740 176 HA ALA 24 HA ALA 24 10.413 8.009 -4.477 177 1HB ALA 24 1HB ALA 24 12.045 8.755 -2.757 178 2HB ALA 24 2HB ALA 24 10.690 9.891 -2.892 179 3HB ALA 24 3HB ALA 24 10.774 8.768 -1.511 180 H ALA 25 H ALA 25 9.902 6.713 -1.175 181 HA ALA 25 HA ALA 25 11.860 4.543 -1.369 182 1HB ALA 25 1HB ALA 25 10.898 3.741 0.781 183 2HB ALA 25 2HB ALA 25 11.168 5.494 0.812 184 3HB ALA 25 3HB ALA 25 9.517 4.852 0.615 185 H PHE 26 H PHE 26 8.415 4.780 -2.043 186 HA PHE 26 HA PHE 26 7.652 1.994 -2.189 187 1HB PHE 26 1HB PHE 26 6.528 4.315 -3.869 188 2HB PHE 26 2HB PHE 26 6.053 3.952 -2.231 189 HD1 PHE 26 HD1 PHE 26 6.577 1.732 -5.297 190 HD2 PHE 26 HD2 PHE 26 3.872 3.028 -2.213 191 HE1 PHE 26 HE1 PHE 26 4.798 0.318 -6.247 192 HE2 PHE 26 HE2 PHE 26 2.086 1.663 -3.218 193 HZ PHE 26 HZ PHE 26 2.561 0.262 -5.197 194 H ASP 27 H ASP 27 9.280 4.119 -4.478 195 HA ASP 27 HA ASP 27 9.090 2.320 -6.832 196 1HB ASP 27 1HB ASP 27 10.786 4.842 -6.395 197 2HB ASP 27 2HB ASP 27 9.222 4.748 -7.172 198 H MET 28 H MET 28 11.314 2.744 -4.180 199 HA MET 28 HA MET 28 13.833 1.845 -5.103 200 1HB MET 28 1HB MET 28 12.469 1.344 -2.419 201 2HB MET 28 2HB MET 28 14.016 0.594 -2.765 202 1HG MET 28 1HG MET 28 14.781 3.103 -3.406 203 2HG MET 28 2HG MET 28 13.384 3.556 -2.416 204 1HE MET 28 1HE MET 28 14.966 4.870 -1.033 205 2HE MET 28 2HE MET 28 15.904 4.203 0.336 206 3HE MET 28 3HE MET 28 16.639 4.281 -1.292 207 H PHE 29 H PHE 29 10.925 -0.053 -4.521 208 HA PHE 29 HA PHE 29 12.270 -2.695 -5.181 209 1HB PHE 29 1HB PHE 29 9.972 -3.702 -4.792 210 2HB PHE 29 2HB PHE 29 9.326 -2.111 -4.496 211 HD1 PHE 29 HD1 PHE 29 9.464 -4.625 -2.583 212 HD2 PHE 29 HD2 PHE 29 11.808 -1.025 -2.852 213 HE1 PHE 29 HE1 PHE 29 10.029 -4.800 -0.194 214 HE2 PHE 29 HE2 PHE 29 12.348 -1.211 -0.459 215 HZ PHE 29 HZ PHE 29 11.463 -3.093 0.872 216 H ASP 30 H ASP 30 9.606 -0.639 -6.387 217 HA ASP 30 HA ASP 30 9.602 -2.098 -9.052 218 1HB ASP 30 1HB ASP 30 7.451 -1.320 -7.584 219 2HB ASP 30 2HB ASP 30 7.650 0.150 -8.510 220 H ALA 31 H ALA 31 11.744 -1.238 -9.491 221 HA ALA 31 HA ALA 31 12.525 1.538 -9.820 222 1HB ALA 31 1HB ALA 31 14.267 0.675 -11.388 223 2HB ALA 31 2HB ALA 31 14.157 -0.316 -9.920 224 3HB ALA 31 3HB ALA 31 13.466 -0.913 -11.451 225 H ASP 32 H ASP 32 11.321 -0.745 -12.297 226 HA ASP 32 HA ASP 32 10.417 1.590 -14.047 227 1HB ASP 32 1HB ASP 32 10.350 -0.218 -15.915 228 2HB ASP 32 2HB ASP 32 11.895 0.417 -15.396 229 H GLY 33 H GLY 33 8.386 2.050 -13.607 230 1HA GLY 33 1HA GLY 33 5.981 0.788 -14.242 231 2HA GLY 33 2HA GLY 33 6.395 -0.070 -12.754 232 H GLY 34 H GLY 34 7.057 1.414 -10.886 233 1HA GLY 34 1HA GLY 34 6.301 2.994 -9.210 234 2HA GLY 34 2HA GLY 34 6.206 4.150 -10.543 235 H GLY 35 H GLY 35 4.406 1.136 -9.913 236 1HA GLY 35 1HA GLY 35 1.901 1.350 -10.930 237 2HA GLY 35 2HA GLY 35 1.777 2.693 -9.789 238 H ASP 36 H ASP 36 3.082 -0.628 -9.658 239 HA ASP 36 HA ASP 36 1.805 -1.114 -6.941 240 1HB ASP 36 1HB ASP 36 0.845 -3.348 -7.807 241 2HB ASP 36 2HB ASP 36 -0.033 -1.877 -8.160 242 H ILE 37 H ILE 37 2.508 -3.199 -6.042 243 HA ILE 37 HA ILE 37 5.143 -4.323 -7.111 244 HB ILE 37 HB ILE 37 5.949 -4.320 -4.616 245 1HG1 ILE 37 1HG1 ILE 37 4.580 -1.610 -4.370 246 2HG1 ILE 37 2HG1 ILE 37 3.614 -3.020 -3.993 247 1HG2 ILE 37 1HG2 ILE 37 7.277 -2.251 -5.053 248 2HG2 ILE 37 2HG2 ILE 37 7.122 -3.200 -6.538 249 3HG2 ILE 37 3HG2 ILE 37 6.131 -1.738 -6.315 250 1HD1 ILE 37 1HD1 ILE 37 6.233 -2.290 -2.561 251 2HD1 ILE 37 2HD1 ILE 37 4.578 -2.192 -1.921 252 3HD1 ILE 37 3HD1 ILE 37 5.296 -3.781 -2.271 253 H SER 38 H SER 38 5.659 -6.114 -5.171 254 HA SER 38 HA SER 38 3.388 -8.087 -5.295 255 1HB SER 38 1HB SER 38 6.024 -8.507 -5.511 256 2HB SER 38 2HB SER 38 5.939 -8.656 -3.754 257 HG SER 38 HG SER 38 4.523 -10.299 -3.941 258 H THR 39 H THR 39 2.596 -9.149 -3.397 259 HA THR 39 HA THR 39 1.880 -7.271 -1.179 260 HB THR 39 HB THR 39 0.543 -9.273 -0.286 261 HG1 THR 39 HG1 THR 39 1.875 -10.705 -1.686 262 1HG2 THR 39 1HG2 THR 39 -1.304 -9.025 -1.885 263 2HG2 THR 39 2HG2 THR 39 -0.548 -7.433 -1.639 264 3HG2 THR 39 3HG2 THR 39 -0.221 -8.358 -3.128 265 H LYS 40 H LYS 40 3.987 -10.034 -1.711 266 HA LYS 40 HA LYS 40 4.548 -10.689 1.115 267 1HB LYS 40 1HB LYS 40 5.680 -11.523 -1.561 268 2HB LYS 40 2HB LYS 40 6.753 -11.709 -0.190 269 1HG LYS 40 1HG LYS 40 4.708 -12.984 0.941 270 2HG LYS 40 2HG LYS 40 4.046 -13.055 -0.680 271 1HD LYS 40 1HD LYS 40 5.327 -15.147 0.004 272 2HD LYS 40 2HD LYS 40 5.857 -14.419 -1.503 273 1HE LYS 40 1HE LYS 40 7.643 -15.216 0.346 274 2HE LYS 40 2HE LYS 40 7.353 -13.619 1.039 275 1HZ LYS 40 1HZ LYS 40 7.786 -13.568 -1.825 276 2HZ LYS 40 2HZ LYS 40 8.484 -12.655 -0.638 277 3HZ LYS 40 3HZ LYS 40 9.075 -14.160 -0.978 278 H GLU 41 H GLU 41 5.960 -8.563 -1.312 279 HA GLU 41 HA GLU 41 8.387 -7.884 0.331 280 1HB GLU 41 1HB GLU 41 7.445 -7.059 -2.448 281 2HB GLU 41 2HB GLU 41 8.744 -6.190 -1.655 282 1HG GLU 41 1HG GLU 41 9.959 -8.498 -1.394 283 2HG GLU 41 2HG GLU 41 8.724 -9.165 -2.449 284 H LEU 42 H LEU 42 5.382 -6.340 -0.763 285 HA LEU 42 HA LEU 42 5.591 -3.655 -0.144 286 1HB LEU 42 1HB LEU 42 3.354 -5.582 -0.192 287 2HB LEU 42 2HB LEU 42 3.463 -3.964 -0.852 288 HG LEU 42 HG LEU 42 3.126 -3.195 1.709 289 1HD1 LEU 42 1HD1 LEU 42 0.647 -3.108 1.316 290 2HD1 LEU 42 2HD1 LEU 42 1.545 -2.629 -0.132 291 3HD1 LEU 42 3HD1 LEU 42 0.808 -4.248 -0.044 292 1HD2 LEU 42 1HD2 LEU 42 1.819 -5.999 1.746 293 2HD2 LEU 42 2HD2 LEU 42 3.219 -5.485 2.719 294 3HD2 LEU 42 3HD2 LEU 42 1.633 -4.740 2.994 295 H GLY 43 H GLY 43 4.645 -6.137 2.261 296 1HA GLY 43 1HA GLY 43 4.566 -4.676 4.730 297 2HA GLY 43 2HA GLY 43 5.161 -6.337 4.614 298 H THR 44 H THR 44 7.427 -6.438 3.494 299 HA THR 44 HA THR 44 9.443 -5.646 5.215 300 HB THR 44 HB THR 44 9.718 -6.033 2.200 301 HG1 THR 44 HG1 THR 44 9.896 -7.622 4.502 302 1HG2 THR 44 1HG2 THR 44 12.146 -6.492 2.581 303 2HG2 THR 44 2HG2 THR 44 11.752 -4.794 2.924 304 3HG2 THR 44 3HG2 THR 44 12.000 -5.939 4.268 305 H VAL 45 H VAL 45 8.122 -3.711 2.570 306 HA VAL 45 HA VAL 45 10.126 -1.580 2.519 307 HB VAL 45 HB VAL 45 8.873 -0.468 0.962 308 1HG1 VAL 45 1HG1 VAL 45 7.708 -2.084 -0.539 309 2HG1 VAL 45 2HG1 VAL 45 9.187 -2.805 0.109 310 3HG1 VAL 45 3HG1 VAL 45 7.611 -3.282 0.779 311 1HG2 VAL 45 1HG2 VAL 45 6.202 -1.482 2.143 312 2HG2 VAL 45 2HG2 VAL 45 6.868 0.157 2.332 313 3HG2 VAL 45 3HG2 VAL 45 6.385 -0.412 0.728 314 H MET 46 H MET 46 6.929 -1.834 4.101 315 HA MET 46 HA MET 46 6.916 0.803 5.367 316 1HB MET 46 1HB MET 46 5.267 -1.710 5.675 317 2HB MET 46 2HB MET 46 5.239 -0.590 7.024 318 1HG MET 46 1HG MET 46 4.391 0.017 4.126 319 2HG MET 46 2HG MET 46 4.581 1.282 5.351 320 1HE MET 46 1HE MET 46 3.486 -2.415 5.351 321 2HE MET 46 2HE MET 46 3.243 -2.180 7.107 322 3HE MET 46 3HE MET 46 1.830 -2.415 6.037 323 NH1 ARG 47 NH1 ARG 47 13.848 -6.359 9.567 324 NH2 ARG 47 NH2 ARG 47 12.854 -7.966 10.828 325 H ARG 47 H ARG 47 8.262 -2.303 6.319 326 HA ARG 47 HA ARG 47 8.585 -1.743 9.216 327 1HB ARG 47 1HB ARG 47 8.471 -4.062 8.626 328 2HB ARG 47 2HB ARG 47 9.640 -3.895 7.324 329 1HG ARG 47 1HG ARG 47 11.342 -3.239 9.322 330 2HG ARG 47 2HG ARG 47 10.173 -4.113 10.312 331 1HD ARG 47 1HD ARG 47 10.444 -5.920 8.220 332 2HD ARG 47 2HD ARG 47 12.044 -5.180 8.184 333 HE ARG 47 HE ARG 47 10.967 -6.272 10.827 334 1HH1 ARG 47 1HH1 ARG 47 13.774 -8.421 10.829 335 2HH1 ARG 47 2HH1 ARG 47 12.011 -8.282 11.319 336 1HH2 ARG 47 1HH2 ARG 47 13.736 -5.532 8.969 337 2HH2 ARG 47 2HH2 ARG 47 14.726 -6.845 9.785 338 H MET 48 H MET 48 10.912 -1.917 6.498 339 HA MET 48 HA MET 48 13.200 -0.903 8.136 340 1HB MET 48 1HB MET 48 14.245 -2.099 6.505 341 2HB MET 48 2HB MET 48 12.868 -2.031 5.421 342 1HG MET 48 1HG MET 48 13.627 0.385 4.778 343 2HG MET 48 2HG MET 48 15.116 0.050 5.676 344 1HE MET 48 1HE MET 48 15.176 -3.389 4.976 345 2HE MET 48 2HE MET 48 16.502 -3.188 3.792 346 3HE MET 48 3HE MET 48 16.520 -2.255 5.317 347 H LEU 49 H LEU 49 10.511 0.570 6.806 348 HA LEU 49 HA LEU 49 11.688 3.236 6.116 349 1HB LEU 49 1HB LEU 49 9.123 3.911 6.509 350 2HB LEU 49 2HB LEU 49 8.850 2.181 6.482 351 HG LEU 49 HG LEU 49 10.129 2.188 4.171 352 1HD1 LEU 49 1HD1 LEU 49 9.365 5.176 4.254 353 2HD1 LEU 49 2HD1 LEU 49 11.022 4.566 4.415 354 3HD1 LEU 49 3HD1 LEU 49 10.125 4.303 2.899 355 1HD2 LEU 49 1HD2 LEU 49 8.043 2.596 2.934 356 2HD2 LEU 49 2HD2 LEU 49 7.597 1.851 4.489 357 3HD2 LEU 49 3HD2 LEU 49 7.382 3.592 4.255 358 H GLY 50 H GLY 50 10.305 1.590 8.927 359 1HA GLY 50 1HA GLY 50 10.110 3.863 10.747 360 2HA GLY 50 2HA GLY 50 11.768 3.305 10.885 361 H GLN 51 H GLN 51 9.062 1.116 10.290 362 HA GLN 51 HA GLN 51 8.562 0.527 13.209 363 1HB GLN 51 1HB GLN 51 7.195 -0.218 10.599 364 2HB GLN 51 2HB GLN 51 6.963 -1.275 11.979 365 1HG GLN 51 1HG GLN 51 6.393 1.043 13.262 366 2HG GLN 51 2HG GLN 51 6.071 1.618 11.639 367 1HE2 GLN 51 1HE2 GLN 51 2.780 0.346 12.729 368 2HE2 GLN 51 2HE2 GLN 51 3.866 1.825 12.673 369 H ASN 52 H ASN 52 8.011 -2.057 13.351 370 HA ASN 52 HA ASN 52 10.142 -3.805 12.176 371 1HB ASN 52 1HB ASN 52 10.501 -2.576 14.798 372 2HB ASN 52 2HB ASN 52 10.434 -4.312 15.007 373 1HD2 ASN 52 1HD2 ASN 52 13.982 -3.995 14.295 374 2HD2 ASN 52 2HD2 ASN 52 12.664 -4.411 15.502 375 HA PRO 53 HA PRO 53 5.981 -5.769 13.656 376 1HB PRO 53 1HB PRO 53 4.675 -6.297 11.299 377 2HB PRO 53 2HB PRO 53 4.739 -4.689 12.040 378 1HG PRO 53 1HG PRO 53 6.450 -5.752 9.741 379 2HG PRO 53 2HG PRO 53 5.614 -4.186 9.850 380 1HD PRO 53 1HD PRO 53 8.330 -4.550 10.453 381 2HD PRO 53 2HD PRO 53 7.345 -3.252 11.193 382 H THR 54 H THR 54 4.926 -7.934 12.262 383 HA THR 54 HA THR 54 7.163 -10.005 12.539 384 HB THR 54 HB THR 54 4.415 -9.916 13.668 385 HG1 THR 54 HG1 THR 54 6.208 -9.910 14.931 386 1HG2 THR 54 1HG2 THR 54 4.073 -12.365 13.727 387 2HG2 THR 54 2HG2 THR 54 4.044 -11.796 12.042 388 3HG2 THR 54 3HG2 THR 54 5.485 -12.632 12.676 389 H LYS 55 H LYS 55 6.841 -11.983 11.285 390 HA LYS 55 HA LYS 55 6.236 -11.320 8.414 391 1HB LYS 55 1HB LYS 55 7.610 -13.670 9.805 392 2HB LYS 55 2HB LYS 55 8.309 -12.488 8.719 393 1HG LYS 55 1HG LYS 55 6.555 -13.614 6.960 394 2HG LYS 55 2HG LYS 55 6.658 -14.959 8.078 395 1HD LYS 55 1HD LYS 55 8.935 -15.416 7.566 396 2HD LYS 55 2HD LYS 55 8.255 -14.924 6.024 397 1HE LYS 55 1HE LYS 55 9.113 -12.483 6.645 398 2HE LYS 55 2HE LYS 55 10.142 -13.306 7.818 399 1HZ LYS 55 1HZ LYS 55 11.267 -14.429 6.106 400 2HZ LYS 55 2HZ LYS 55 10.088 -14.170 4.978 401 3HZ LYS 55 3HZ LYS 55 11.045 -12.918 5.475 402 H GLU 56 H GLU 56 5.024 -13.362 11.021 403 HA GLU 56 HA GLU 56 3.072 -14.964 9.476 404 1HB GLU 56 1HB GLU 56 4.053 -15.348 11.908 405 2HB GLU 56 2HB GLU 56 2.485 -15.965 11.429 406 1HG GLU 56 1HG GLU 56 1.294 -14.461 12.814 407 2HG GLU 56 2HG GLU 56 2.531 -13.217 12.739 408 H GLU 57 H GLU 57 3.086 -11.825 11.064 409 HA GLU 57 HA GLU 57 0.171 -11.315 11.068 410 1HB GLU 57 1HB GLU 57 2.494 -9.322 11.237 411 2HB GLU 57 2HB GLU 57 0.808 -8.890 11.432 412 1HG GLU 57 1HG GLU 57 2.445 -10.751 13.269 413 2HG GLU 57 2HG GLU 57 0.708 -10.554 13.426 414 H LEU 58 H LEU 58 2.826 -10.761 8.811 415 HA LEU 58 HA LEU 58 1.569 -9.029 6.842 416 1HB LEU 58 1HB LEU 58 3.933 -10.831 6.915 417 2HB LEU 58 2HB LEU 58 3.181 -10.807 5.335 418 HG LEU 58 HG LEU 58 3.277 -8.098 5.753 419 1HD1 LEU 58 1HD1 LEU 58 5.451 -7.486 6.861 420 2HD1 LEU 58 2HD1 LEU 58 4.325 -8.222 8.010 421 3HD1 LEU 58 3HD1 LEU 58 5.681 -9.179 7.367 422 1HD2 LEU 58 1HD2 LEU 58 5.667 -9.780 4.739 423 2HD2 LEU 58 2HD2 LEU 58 4.257 -9.285 3.771 424 3HD2 LEU 58 3HD2 LEU 58 5.376 -8.057 4.393 425 H ASP 59 H ASP 59 1.370 -12.488 7.461 426 HA ASP 59 HA ASP 59 -0.006 -13.341 5.030 427 1HB ASP 59 1HB ASP 59 -0.449 -14.794 7.675 428 2HB ASP 59 2HB ASP 59 -0.413 -15.442 6.051 429 H ALA 60 H ALA 60 -1.208 -12.332 8.234 430 HA ALA 60 HA ALA 60 -4.053 -12.875 7.811 431 1HB ALA 60 1HB ALA 60 -4.432 -11.440 9.811 432 2HB ALA 60 2HB ALA 60 -3.097 -12.579 10.076 433 3HB ALA 60 3HB ALA 60 -2.750 -10.861 9.754 434 H ILE 61 H ILE 61 -2.082 -9.927 7.419 435 HA ILE 61 HA ILE 61 -3.994 -7.961 6.768 436 HB ILE 61 HB ILE 61 -1.139 -8.298 5.795 437 1HG1 ILE 61 1HG1 ILE 61 -1.909 -7.412 8.210 438 2HG1 ILE 61 2HG1 ILE 61 -2.267 -5.919 7.369 439 1HG2 ILE 61 1HG2 ILE 61 -1.228 -6.065 4.655 440 2HG2 ILE 61 2HG2 ILE 61 -2.315 -7.208 3.870 441 3HG2 ILE 61 3HG2 ILE 61 -2.981 -5.963 4.952 442 1HD1 ILE 61 1HD1 ILE 61 0.083 -5.627 6.635 443 2HD1 ILE 61 2HD1 ILE 61 -0.003 -5.859 8.394 444 3HD1 ILE 61 3HD1 ILE 61 0.526 -7.200 7.352 445 H ILE 62 H ILE 62 -2.730 -10.629 4.853 446 HA ILE 62 HA ILE 62 -3.806 -9.798 2.217 447 HB ILE 62 HB ILE 62 -2.996 -12.639 3.010 448 1HG1 ILE 62 1HG1 ILE 62 -1.221 -10.538 3.287 449 2HG1 ILE 62 2HG1 ILE 62 -0.753 -12.177 2.886 450 1HG2 ILE 62 1HG2 ILE 62 -2.532 -12.935 0.563 451 2HG2 ILE 62 2HG2 ILE 62 -4.216 -12.480 0.818 452 3HG2 ILE 62 3HG2 ILE 62 -3.054 -11.263 0.241 453 1HD1 ILE 62 1HD1 ILE 62 -1.109 -9.931 0.816 454 2HD1 ILE 62 2HD1 ILE 62 0.406 -10.671 1.371 455 3HD1 ILE 62 3HD1 ILE 62 -0.749 -11.634 0.420 456 H GLU 63 H GLU 63 -4.860 -12.036 4.781 457 HA GLU 63 HA GLU 63 -7.311 -13.052 3.652 458 1HB GLU 63 1HB GLU 63 -6.731 -14.094 5.641 459 2HB GLU 63 2HB GLU 63 -6.374 -12.602 6.488 460 1HG GLU 63 1HG GLU 63 -8.351 -13.358 7.549 461 2HG GLU 63 2HG GLU 63 -8.956 -12.128 6.452 462 H GLU 64 H GLU 64 -6.509 -9.886 4.906 463 HA GLU 64 HA GLU 64 -9.307 -8.917 5.234 464 1HB GLU 64 1HB GLU 64 -6.570 -7.785 5.692 465 2HB GLU 64 2HB GLU 64 -7.801 -6.607 5.281 466 1HG GLU 64 1HG GLU 64 -7.870 -6.647 7.649 467 2HG GLU 64 2HG GLU 64 -7.584 -8.376 7.751 468 H VAL 65 H VAL 65 -6.653 -7.624 3.211 469 HA VAL 65 HA VAL 65 -8.513 -6.149 1.426 470 HB VAL 65 HB VAL 65 -6.426 -5.582 0.089 471 1HG1 VAL 65 1HG1 VAL 65 -5.570 -3.952 1.784 472 2HG1 VAL 65 2HG1 VAL 65 -7.341 -4.036 1.827 473 3HG1 VAL 65 3HG1 VAL 65 -6.386 -4.842 3.094 474 1HG2 VAL 65 1HG2 VAL 65 -4.900 -7.002 2.381 475 2HG2 VAL 65 2HG2 VAL 65 -4.911 -7.484 0.667 476 3HG2 VAL 65 3HG2 VAL 65 -4.174 -5.947 1.143 477 H ASP 66 H ASP 66 -6.272 -8.917 1.004 478 HA ASP 66 HA ASP 66 -7.449 -9.546 -1.712 479 1HB ASP 66 1HB ASP 66 -5.249 -11.282 -0.579 480 2HB ASP 66 2HB ASP 66 -4.845 -9.611 -0.894 481 H GLU 67 H GLU 67 -9.243 -9.859 0.318 482 HA GLU 67 HA GLU 67 -9.566 -12.719 1.125 483 1HB GLU 67 1HB GLU 67 -10.564 -10.584 2.286 484 2HB GLU 67 2HB GLU 67 -11.836 -10.684 1.084 485 1HG GLU 67 1HG GLU 67 -12.451 -12.992 1.882 486 2HG GLU 67 2HG GLU 67 -11.121 -12.973 3.029 487 H ASP 68 H ASP 68 -11.040 -10.531 -1.278 488 HA ASP 68 HA ASP 68 -11.103 -12.661 -3.367 489 1HB ASP 68 1HB ASP 68 -13.108 -13.452 -2.314 490 2HB ASP 68 2HB ASP 68 -13.743 -11.841 -2.071 491 H GLY 69 H GLY 69 -9.678 -10.810 -3.947 492 1HA GLY 69 1HA GLY 69 -10.105 -8.089 -4.372 493 2HA GLY 69 2HA GLY 69 -11.142 -8.758 -5.636 494 H SER 70 H SER 70 -8.709 -7.156 -5.831 495 HA SER 70 HA SER 70 -7.479 -8.479 -8.161 496 1HB SER 70 1HB SER 70 -7.602 -6.157 -8.389 497 2HB SER 70 2HB SER 70 -7.053 -5.827 -6.744 498 HG SER 70 HG SER 70 -5.557 -5.527 -8.579 499 H GLY 71 H GLY 71 -5.356 -9.183 -8.430 500 1HA GLY 71 1HA GLY 71 -4.055 -10.409 -5.957 501 2HA GLY 71 2HA GLY 71 -3.755 -10.906 -7.625 502 H THR 72 H THR 72 -3.764 -7.619 -6.291 503 HA THR 72 HA THR 72 -0.773 -7.347 -6.495 504 HB THR 72 HB THR 72 -0.972 -5.243 -7.939 505 HG1 THR 72 HG1 THR 72 -2.733 -4.858 -8.935 506 1HG2 THR 72 1HG2 THR 72 -0.195 -7.664 -8.802 507 2HG2 THR 72 2HG2 THR 72 -1.722 -7.606 -9.709 508 3HG2 THR 72 3HG2 THR 72 -0.485 -6.345 -9.958 509 H ILE 73 H ILE 73 -0.199 -4.971 -5.923 510 HA ILE 73 HA ILE 73 -2.159 -3.762 -3.958 511 HB ILE 73 HB ILE 73 0.547 -4.860 -3.255 512 1HG1 ILE 73 1HG1 ILE 73 -0.535 -5.945 -1.525 513 2HG1 ILE 73 2HG1 ILE 73 -1.840 -5.829 -2.692 514 1HG2 ILE 73 1HG2 ILE 73 0.895 -3.419 -1.283 515 2HG2 ILE 73 2HG2 ILE 73 0.861 -2.405 -2.732 516 3HG2 ILE 73 3HG2 ILE 73 -0.556 -2.460 -1.655 517 1HD1 ILE 73 1HD1 ILE 73 -1.557 -4.300 -0.071 518 2HD1 ILE 73 2HD1 ILE 73 -2.487 -3.574 -1.399 519 3HD1 ILE 73 3HD1 ILE 73 -2.966 -5.160 -0.749 520 H ASP 74 H ASP 74 -2.360 -1.670 -4.209 521 HA ASP 74 HA ASP 74 -0.441 -0.193 -6.074 522 1HB ASP 74 1HB ASP 74 -2.832 1.313 -5.815 523 2HB ASP 74 2HB ASP 74 -3.277 -0.393 -6.119 524 H PHE 75 H PHE 75 -0.597 2.285 -5.633 525 HA PHE 75 HA PHE 75 0.684 2.755 -3.000 526 1HB PHE 75 1HB PHE 75 1.392 3.896 -5.138 527 2HB PHE 75 2HB PHE 75 -0.104 4.792 -5.171 528 HD1 PHE 75 HD1 PHE 75 0.790 7.040 -4.938 529 HD2 PHE 75 HD2 PHE 75 1.896 4.050 -2.046 530 HE1 PHE 75 HE1 PHE 75 1.934 8.751 -3.590 531 HE2 PHE 75 HE2 PHE 75 3.030 5.780 -0.710 532 HZ PHE 75 HZ PHE 75 3.022 8.133 -1.458 533 H GLU 76 H GLU 76 -2.469 3.322 -4.462 534 HA GLU 76 HA GLU 76 -3.683 5.074 -2.481 535 1HB GLU 76 1HB GLU 76 -4.833 4.863 -4.538 536 2HB GLU 76 2HB GLU 76 -5.894 4.217 -3.302 537 1HG GLU 76 1HG GLU 76 -4.202 2.127 -4.665 538 2HG GLU 76 2HG GLU 76 -5.289 2.989 -5.742 539 H GLU 77 H GLU 77 -4.077 1.540 -2.863 540 HA GLU 77 HA GLU 77 -5.409 0.961 -0.340 541 1HB GLU 77 1HB GLU 77 -3.536 -0.991 -1.767 542 2HB GLU 77 2HB GLU 77 -5.139 -0.608 -2.363 543 1HG GLU 77 1HG GLU 77 -4.976 -2.758 -0.990 544 2HG GLU 77 2HG GLU 77 -4.581 -1.803 0.429 545 H PHE 78 H PHE 78 -2.033 1.430 -1.199 546 HA PHE 78 HA PHE 78 -0.718 0.334 1.144 547 1HB PHE 78 1HB PHE 78 0.427 1.001 -1.018 548 2HB PHE 78 2HB PHE 78 0.262 2.683 -0.590 549 HD1 PHE 78 HD1 PHE 78 0.805 1.613 2.585 550 HD2 PHE 78 HD2 PHE 78 2.928 1.524 -1.156 551 HE1 PHE 78 HE1 PHE 78 2.951 1.655 3.790 552 HE2 PHE 78 HE2 PHE 78 5.064 1.592 0.065 553 HZ PHE 78 HZ PHE 78 5.081 1.589 2.536 554 H LEU 79 H LEU 79 -1.913 3.613 0.424 555 HA LEU 79 HA LEU 79 -1.121 4.894 2.977 556 1HB LEU 79 1HB LEU 79 -2.857 6.665 2.295 557 2HB LEU 79 2HB LEU 79 -3.222 5.697 0.883 558 HG LEU 79 HG LEU 79 -0.790 5.931 0.127 559 1HD1 LEU 79 1HD1 LEU 79 -1.034 8.284 -0.679 560 2HD1 LEU 79 2HD1 LEU 79 -2.575 7.417 -0.811 561 3HD1 LEU 79 3HD1 LEU 79 -2.327 8.586 0.510 562 1HD2 LEU 79 1HD2 LEU 79 -0.584 7.951 2.460 563 2HD2 LEU 79 2HD2 LEU 79 0.319 6.423 2.310 564 3HD2 LEU 79 3HD2 LEU 79 0.620 7.738 1.164 565 H VAL 80 H VAL 80 -3.903 3.093 1.792 566 HA VAL 80 HA VAL 80 -5.842 3.775 3.868 567 HB VAL 80 HB VAL 80 -5.703 1.396 1.965 568 1HG1 VAL 80 1HG1 VAL 80 -8.025 0.764 2.656 569 2HG1 VAL 80 2HG1 VAL 80 -6.894 0.562 4.000 570 3HG1 VAL 80 3HG1 VAL 80 -7.982 1.968 3.970 571 1HG2 VAL 80 1HG2 VAL 80 -7.671 3.776 2.063 572 2HG2 VAL 80 2HG2 VAL 80 -6.327 3.603 0.910 573 3HG2 VAL 80 3HG2 VAL 80 -7.672 2.453 0.871 574 H MET 81 H MET 81 -3.310 1.331 3.595 575 HA MET 81 HA MET 81 -4.102 -0.189 6.063 576 1HB MET 81 1HB MET 81 -3.127 -1.431 4.170 577 2HB MET 81 2HB MET 81 -2.175 -1.626 5.630 578 1HG MET 81 1HG MET 81 -1.438 -0.110 3.082 579 2HG MET 81 2HG MET 81 -0.667 0.349 4.610 580 1HE MET 81 1HE MET 81 -0.695 -4.171 3.414 581 2HE MET 81 2HE MET 81 -1.777 -3.458 4.647 582 3HE MET 81 3HE MET 81 -1.961 -2.998 2.929 583 H MET 82 H MET 82 -1.807 2.295 5.094 584 HA MET 82 HA MET 82 0.044 2.184 7.353 585 1HB MET 82 1HB MET 82 -0.510 4.154 5.150 586 2HB MET 82 2HB MET 82 0.192 4.842 6.603 587 1HG MET 82 1HG MET 82 1.919 4.165 4.883 588 2HG MET 82 2HG MET 82 1.424 2.474 5.057 589 1HE MET 82 1HE MET 82 2.904 4.908 8.771 590 2HE MET 82 2HE MET 82 2.098 5.609 7.337 591 3HE MET 82 3HE MET 82 1.165 4.595 8.476 592 H VAL 83 H VAL 83 -2.897 4.093 6.744 593 HA VAL 83 HA VAL 83 -2.893 5.761 9.149 594 HB VAL 83 HB VAL 83 -4.921 5.065 7.071 595 1HG1 VAL 83 1HG1 VAL 83 -6.863 6.002 8.338 596 2HG1 VAL 83 2HG1 VAL 83 -6.289 4.509 9.093 597 3HG1 VAL 83 3HG1 VAL 83 -5.884 6.079 9.825 598 1HG2 VAL 83 1HG2 VAL 83 -4.262 7.727 8.499 599 2HG2 VAL 83 2HG2 VAL 83 -3.624 7.209 6.921 600 3HG2 VAL 83 3HG2 VAL 83 -5.354 7.530 7.104 601 NH1 ARG 84 NH1 ARG 84 -5.249 -3.166 7.784 602 NH2 ARG 84 NH2 ARG 84 -6.029 -3.131 5.651 603 H ARG 84 H ARG 84 -4.096 2.504 8.427 604 HA ARG 84 HA ARG 84 -5.509 1.934 10.968 605 1HB ARG 84 1HB ARG 84 -5.136 -0.524 10.281 606 2HB ARG 84 2HB ARG 84 -4.271 0.071 8.871 607 1HG ARG 84 1HG ARG 84 -7.119 1.053 9.416 608 2HG ARG 84 2HG ARG 84 -6.219 1.093 7.897 609 1HD ARG 84 1HD ARG 84 -6.773 -1.633 9.172 610 2HD ARG 84 2HD ARG 84 -8.101 -0.803 8.365 611 HE ARG 84 HE ARG 84 -6.505 -0.715 6.263 612 1HH1 ARG 84 1HH1 ARG 84 -5.625 -4.071 5.571 613 2HH1 ARG 84 2HH1 ARG 84 -6.496 -2.597 4.909 614 1HH2 ARG 84 1HH2 ARG 84 -5.278 -2.752 8.722 615 2HH2 ARG 84 2HH2 ARG 84 -4.736 -4.008 7.498 616 H GLN 85 H GLN 85 -2.171 1.643 9.828 617 HA GLN 85 HA GLN 85 -1.094 -0.101 11.931 618 1HB GLN 85 1HB GLN 85 0.923 1.795 10.924 619 2HB GLN 85 2HB GLN 85 -0.071 1.207 9.603 620 1HG GLN 85 1HG GLN 85 1.918 -0.213 9.864 621 2HG GLN 85 2HG GLN 85 1.568 -0.519 11.552 622 1HE2 GLN 85 1HE2 GLN 85 0.140 -3.584 10.275 623 2HE2 GLN 85 2HE2 GLN 85 1.669 -2.802 10.922 624 H MET 86 H MET 86 -1.142 3.442 11.519 625 HA MET 86 HA MET 86 0.397 4.254 13.829 626 1HB MET 86 1HB MET 86 -1.067 5.612 11.807 627 2HB MET 86 2HB MET 86 -1.833 6.120 13.301 628 1HG MET 86 1HG MET 86 0.765 6.944 12.192 629 2HG MET 86 2HG MET 86 0.989 6.308 13.830 630 1HE MET 86 1HE MET 86 0.568 9.105 15.870 631 2HE MET 86 2HE MET 86 1.660 7.980 15.010 632 3HE MET 86 3HE MET 86 1.453 9.651 14.411 633 H LYS 87 H LYS 87 -3.145 3.929 13.467 634 HA LYS 87 HA LYS 87 -4.040 4.451 16.137 635 1HB LYS 87 1HB LYS 87 -5.334 3.630 13.857 636 2HB LYS 87 2HB LYS 87 -5.387 2.123 14.746 637 1HG LYS 87 1HG LYS 87 -7.261 4.131 14.919 638 2HG LYS 87 2HG LYS 87 -6.244 4.598 16.267 639 1HD LYS 87 1HD LYS 87 -7.464 1.773 15.967 640 2HD LYS 87 2HD LYS 87 -6.547 2.377 17.338 641 1HE LYS 87 1HE LYS 87 -9.300 3.432 16.448 642 2HE LYS 87 2HE LYS 87 -8.985 2.416 17.856 643 1HZ LYS 87 1HZ LYS 87 -8.876 4.405 18.887 644 2HZ LYS 87 2HZ LYS 87 -7.332 4.504 18.307 645 3HZ LYS 87 3HZ LYS 87 -8.563 5.265 17.511 646 H GLU 88 H GLU 88 -2.769 1.442 14.724 647 HA GLU 88 HA GLU 88 -1.771 -0.512 15.701 648 1HB GLU 88 1HB GLU 88 -0.710 1.589 17.121 649 2HB GLU 88 2HB GLU 88 -1.479 0.710 18.427 650 1HG GLU 88 1HG GLU 88 -0.201 -1.420 17.514 651 2HG GLU 88 2HG GLU 88 0.733 -0.294 16.543 652 H ASP 89 H ASP 89 -2.029 -1.456 18.345 653 HA ASP 89 HA ASP 89 -5.040 -1.984 18.566 654 1HB ASP 89 1HB ASP 89 -2.695 -3.892 18.718 655 2HB ASP 89 2HB ASP 89 -4.038 -4.193 19.796 656 H ALA 90 H ALA 90 -5.915 -2.176 20.620 657 HA ALA 90 HA ALA 90 -4.360 -0.756 22.854 658 1HB ALA 90 1HB ALA 90 -7.226 -0.522 21.884 659 2HB ALA 90 2HB ALA 90 -6.975 -0.428 23.639 660 3HB ALA 90 3HB ALA 90 -6.154 0.730 22.563 Start of MODEL 8 Raw file had 660 H/Q atoms Start of MODEL 8 1 1H ALA 1 1H ALA 1 -23.131 7.619 6.717 2 2H ALA 1 2H ALA 1 -23.093 6.008 7.197 3 3H ALA 1 3H ALA 1 -22.547 7.210 8.240 4 HA ALA 1 HA ALA 1 -21.327 6.872 5.595 5 1HB ALA 1 1HB ALA 1 -20.936 8.884 7.256 6 2HB ALA 1 2HB ALA 1 -19.952 7.748 8.198 7 3HB ALA 1 3HB ALA 1 -19.502 8.133 6.517 8 H SER 2 H SER 2 -19.690 5.370 5.322 9 HA SER 2 HA SER 2 -18.868 3.419 7.442 10 1HB SER 2 1HB SER 2 -19.768 1.490 5.702 11 2HB SER 2 2HB SER 2 -20.615 2.008 7.161 12 HG SER 2 HG SER 2 -22.119 2.447 5.811 13 H MET 3 H MET 3 -17.028 4.745 6.530 14 HA MET 3 HA MET 3 -15.207 5.225 5.010 15 1HB MET 3 1HB MET 3 -13.831 3.197 4.482 16 2HB MET 3 2HB MET 3 -14.240 3.386 6.176 17 1HG MET 3 1HG MET 3 -15.946 1.515 4.439 18 2HG MET 3 2HG MET 3 -14.362 0.992 5.033 19 1HE MET 3 1HE MET 3 -17.310 -0.591 7.385 20 2HE MET 3 2HE MET 3 -17.787 0.174 5.840 21 3HE MET 3 3HE MET 3 -16.342 -0.877 5.905 22 H THR 4 H THR 4 -17.659 5.447 3.774 23 HA THR 4 HA THR 4 -18.132 4.114 1.264 24 HB THR 4 HB THR 4 -18.447 7.124 1.398 25 HG1 THR 4 HG1 THR 4 -20.123 5.244 2.681 26 1HG2 THR 4 1HG2 THR 4 -20.604 6.717 0.275 27 2HG2 THR 4 2HG2 THR 4 -19.304 5.967 -0.678 28 3HG2 THR 4 3HG2 THR 4 -20.373 4.956 0.328 29 H ASP 5 H ASP 5 -15.566 6.256 2.264 30 HA ASP 5 HA ASP 5 -14.024 5.760 -0.254 31 1HB ASP 5 1HB ASP 5 -13.567 8.193 -0.755 32 2HB ASP 5 2HB ASP 5 -15.173 7.633 -1.162 33 H GLN 6 H GLN 6 -13.283 4.701 1.891 34 HA GLN 6 HA GLN 6 -11.707 6.074 3.912 35 1HB GLN 6 1HB GLN 6 -12.294 3.409 3.387 36 2HB GLN 6 2HB GLN 6 -10.600 3.464 2.936 37 1HG GLN 6 1HG GLN 6 -10.023 4.426 5.213 38 2HG GLN 6 2HG GLN 6 -10.657 2.793 5.244 39 1HE2 GLN 6 1HE2 GLN 6 -12.855 3.970 7.831 40 2HE2 GLN 6 2HE2 GLN 6 -11.565 2.789 7.275 41 H GLN 7 H GLN 7 -11.033 5.214 0.565 42 HA GLN 7 HA GLN 7 -8.198 5.287 0.341 43 1HB GLN 7 1HB GLN 7 -10.424 6.018 -1.574 44 2HB GLN 7 2HB GLN 7 -8.815 6.590 -1.979 45 1HG GLN 7 1HG GLN 7 -8.799 4.558 -3.092 46 2HG GLN 7 2HG GLN 7 -8.041 4.075 -1.589 47 1HE2 GLN 7 1HE2 GLN 7 -10.981 1.755 -2.612 48 2HE2 GLN 7 2HE2 GLN 7 -9.594 2.498 -3.557 49 H ALA 8 H ALA 8 -10.268 8.134 -0.357 50 HA ALA 8 HA ALA 8 -8.105 10.091 -0.431 51 1HB ALA 8 1HB ALA 8 -9.744 11.681 -0.863 52 2HB ALA 8 2HB ALA 8 -10.622 10.206 -1.310 53 3HB ALA 8 3HB ALA 8 -10.933 10.985 0.263 54 H GLU 9 H GLU 9 -10.187 8.893 2.151 55 HA GLU 9 HA GLU 9 -9.938 10.919 4.175 56 1HB GLU 9 1HB GLU 9 -11.532 9.158 4.502 57 2HB GLU 9 2HB GLU 9 -10.310 7.902 4.451 58 1HG GLU 9 1HG GLU 9 -10.030 9.966 6.668 59 2HG GLU 9 2HG GLU 9 -9.622 8.258 6.677 60 H ALA 10 H ALA 10 -7.744 8.302 3.256 61 HA ALA 10 HA ALA 10 -5.917 8.267 5.506 62 1HB ALA 10 1HB ALA 10 -4.293 7.185 3.960 63 2HB ALA 10 2HB ALA 10 -5.917 6.497 3.775 64 3HB ALA 10 3HB ALA 10 -5.288 7.630 2.553 65 NH1 ARG 11 NH1 ARG 11 -4.939 14.013 -1.744 66 NH2 ARG 11 NH2 ARG 11 -6.587 13.335 -3.154 67 H ARG 11 H ARG 11 -5.784 10.098 2.442 68 HA ARG 11 HA ARG 11 -3.202 11.460 2.897 69 1HB ARG 11 1HB ARG 11 -3.618 12.691 0.912 70 2HB ARG 11 2HB ARG 11 -5.362 12.658 1.124 71 1HG ARG 11 1HG ARG 11 -3.854 10.044 0.610 72 2HG ARG 11 2HG ARG 11 -5.575 10.373 0.397 73 1HD ARG 11 1HD ARG 11 -3.991 10.300 -1.742 74 2HD ARG 11 2HD ARG 11 -3.500 11.923 -1.262 75 HE ARG 11 HE ARG 11 -6.367 11.164 -2.004 76 1HH1 ARG 11 1HH1 ARG 11 -5.172 14.963 -2.052 77 2HH1 ARG 11 2HH1 ARG 11 -4.197 13.744 -1.088 78 1HH2 ARG 11 1HH2 ARG 11 -7.081 12.551 -3.592 79 2HH2 ARG 11 2HH2 ARG 11 -6.723 14.334 -3.348 80 H ALA 12 H ALA 12 -6.586 12.217 3.568 81 HA ALA 12 HA ALA 12 -6.584 14.990 4.190 82 1HB ALA 12 1HB ALA 12 -8.486 14.564 5.734 83 2HB ALA 12 2HB ALA 12 -8.650 13.624 4.237 84 3HB ALA 12 3HB ALA 12 -8.132 12.819 5.739 85 H PHE 13 H PHE 13 -5.305 12.303 6.078 86 HA PHE 13 HA PHE 13 -4.802 13.915 8.554 87 1HB PHE 13 1HB PHE 13 -3.848 11.058 7.934 88 2HB PHE 13 2HB PHE 13 -5.448 11.424 8.524 89 HD1 PHE 13 HD1 PHE 13 -3.161 13.796 9.984 90 HD2 PHE 13 HD2 PHE 13 -4.393 9.684 10.312 91 HE1 PHE 13 HE1 PHE 13 -2.374 13.734 12.315 92 HE2 PHE 13 HE2 PHE 13 -3.598 9.642 12.639 93 HZ PHE 13 HZ PHE 13 -2.581 11.658 13.642 94 H LEU 14 H LEU 14 -2.902 12.361 5.975 95 HA LEU 14 HA LEU 14 -0.248 13.341 6.904 96 1HB LEU 14 1HB LEU 14 0.698 12.258 5.018 97 2HB LEU 14 2HB LEU 14 -0.745 12.431 4.041 98 HG LEU 14 HG LEU 14 -1.883 10.607 5.154 99 1HD1 LEU 14 1HD1 LEU 14 -0.328 8.681 4.810 100 2HD1 LEU 14 2HD1 LEU 14 -0.147 9.871 3.508 101 3HD1 LEU 14 3HD1 LEU 14 1.075 9.780 4.801 102 1HD2 LEU 14 1HD2 LEU 14 0.367 10.573 7.276 103 2HD2 LEU 14 2HD2 LEU 14 -1.316 11.093 7.538 104 3HD2 LEU 14 3HD2 LEU 14 -0.969 9.400 7.160 105 H SER 15 H SER 15 1.114 14.661 5.389 106 HA SER 15 HA SER 15 -0.376 17.193 4.579 107 1HB SER 15 1HB SER 15 2.431 16.616 5.540 108 2HB SER 15 2HB SER 15 2.209 17.985 4.448 109 HG SER 15 HG SER 15 0.386 17.662 6.545 110 H GLU 16 H GLU 16 0.664 18.353 2.680 111 HA GLU 16 HA GLU 16 0.285 16.819 0.222 112 1HB GLU 16 1HB GLU 16 0.015 19.378 0.610 113 2HB GLU 16 2HB GLU 16 1.742 19.502 0.341 114 1HG GLU 16 1HG GLU 16 -0.417 18.635 -1.664 115 2HG GLU 16 2HG GLU 16 0.667 20.013 -1.762 116 H GLU 17 H GLU 17 3.152 17.946 1.963 117 HA GLU 17 HA GLU 17 5.115 16.913 -0.064 118 1HB GLU 17 1HB GLU 17 6.810 17.957 1.097 119 2HB GLU 17 2HB GLU 17 5.443 19.000 1.437 120 1HG GLU 17 1HG GLU 17 6.959 17.149 3.322 121 2HG GLU 17 2HG GLU 17 5.260 17.425 3.666 122 H MET 18 H MET 18 3.744 15.952 3.035 123 HA MET 18 HA MET 18 5.468 13.789 3.841 124 1HB MET 18 1HB MET 18 2.416 13.839 4.210 125 2HB MET 18 2HB MET 18 3.546 14.742 5.202 126 1HG MET 18 1HG MET 18 4.054 11.752 4.990 127 2HG MET 18 2HG MET 18 2.625 12.275 5.897 128 1HE MET 18 1HE MET 18 6.786 13.321 5.812 129 2HE MET 18 2HE MET 18 6.915 12.223 7.218 130 3HE MET 18 3HE MET 18 6.190 11.636 5.693 131 H ILE 19 H ILE 19 2.739 13.849 1.571 132 HA ILE 19 HA ILE 19 2.532 10.970 1.031 133 HB ILE 19 HB ILE 19 1.708 13.312 -0.761 134 1HG1 ILE 19 1HG1 ILE 19 0.243 13.554 1.069 135 2HG1 ILE 19 2HG1 ILE 19 -0.679 12.487 0.031 136 1HG2 ILE 19 1HG2 ILE 19 0.298 11.672 -2.025 137 2HG2 ILE 19 2HG2 ILE 19 1.999 11.222 -2.128 138 3HG2 ILE 19 3HG2 ILE 19 0.920 10.334 -1.028 139 1HD1 ILE 19 1HD1 ILE 19 0.886 11.556 2.509 140 2HD1 ILE 19 2HD1 ILE 19 -0.875 11.673 2.314 141 3HD1 ILE 19 3HD1 ILE 19 0.040 10.471 1.373 142 H ALA 20 H ALA 20 4.371 13.630 -0.450 143 HA ALA 20 HA ALA 20 5.500 12.284 -2.737 144 1HB ALA 20 1HB ALA 20 5.589 14.831 -1.919 145 2HB ALA 20 2HB ALA 20 7.177 14.360 -1.283 146 3HB ALA 20 3HB ALA 20 6.829 14.191 -3.023 147 H GLU 21 H GLU 21 6.501 12.352 0.652 148 HA GLU 21 HA GLU 21 9.187 11.200 0.341 149 1HB GLU 21 1HB GLU 21 7.355 11.579 2.740 150 2HB GLU 21 2HB GLU 21 8.817 12.448 2.319 151 1HG GLU 21 1HG GLU 21 8.864 9.468 3.109 152 2HG GLU 21 2HG GLU 21 8.930 10.757 4.299 153 H PHE 22 H PHE 22 5.972 9.857 0.949 154 HA PHE 22 HA PHE 22 6.760 7.072 1.523 155 1HB PHE 22 1HB PHE 22 4.089 8.252 0.567 156 2HB PHE 22 2HB PHE 22 4.300 6.553 0.899 157 HD1 PHE 22 HD1 PHE 22 6.361 7.267 3.358 158 HD2 PHE 22 HD2 PHE 22 2.340 8.413 2.336 159 HE1 PHE 22 HE1 PHE 22 5.869 7.693 5.729 160 HE2 PHE 22 HE2 PHE 22 1.862 8.817 4.715 161 HZ PHE 22 HZ PHE 22 3.638 8.515 6.407 162 H LYS 23 H LYS 23 5.810 8.868 -1.385 163 HA LYS 23 HA LYS 23 5.666 6.810 -3.377 164 1HB LYS 23 1HB LYS 23 5.146 9.276 -3.743 165 2HB LYS 23 2HB LYS 23 6.862 9.614 -3.827 166 1HG LYS 23 1HG LYS 23 5.464 9.320 -6.035 167 2HG LYS 23 2HG LYS 23 7.098 8.691 -5.960 168 1HD LYS 23 1HD LYS 23 6.194 6.360 -5.526 169 2HD LYS 23 2HD LYS 23 4.562 7.006 -5.523 170 1HE LYS 23 1HE LYS 23 6.304 7.419 -8.003 171 2HE LYS 23 2HE LYS 23 5.504 5.868 -7.745 172 1HZ LYS 23 1HZ LYS 23 4.303 7.742 -9.042 173 2HZ LYS 23 2HZ LYS 23 3.421 6.845 -7.971 174 3HZ LYS 23 3HZ LYS 23 3.924 8.363 -7.559 175 H ALA 24 H ALA 24 8.460 8.375 -1.892 176 HA ALA 24 HA ALA 24 10.590 7.592 -3.682 177 1HB ALA 24 1HB ALA 24 12.131 7.987 -1.770 178 2HB ALA 24 2HB ALA 24 10.913 9.271 -1.889 179 3HB ALA 24 3HB ALA 24 10.763 8.017 -0.632 180 H ALA 25 H ALA 25 9.548 6.019 -0.637 181 HA ALA 25 HA ALA 25 11.296 3.689 -0.777 182 1HB ALA 25 1HB ALA 25 9.856 2.726 1.009 183 2HB ALA 25 2HB ALA 25 10.248 4.423 1.344 184 3HB ALA 25 3HB ALA 25 8.628 3.987 0.743 185 H PHE 26 H PHE 26 8.091 4.365 -2.060 186 HA PHE 26 HA PHE 26 7.225 1.662 -2.761 187 1HB PHE 26 1HB PHE 26 6.385 4.099 -4.400 188 2HB PHE 26 2HB PHE 26 5.902 3.986 -2.728 189 HD1 PHE 26 HD1 PHE 26 6.239 0.755 -4.498 190 HD2 PHE 26 HD2 PHE 26 3.514 3.974 -3.651 191 HE1 PHE 26 HE1 PHE 26 4.345 -0.646 -5.212 192 HE2 PHE 26 HE2 PHE 26 1.631 2.554 -4.357 193 HZ PHE 26 HZ PHE 26 2.040 0.243 -5.128 194 H ASP 27 H ASP 27 9.154 4.120 -4.416 195 HA ASP 27 HA ASP 27 9.355 2.788 -7.045 196 1HB ASP 27 1HB ASP 27 9.710 5.209 -6.895 197 2HB ASP 27 2HB ASP 27 11.066 5.011 -5.809 198 H MET 28 H MET 28 11.043 2.509 -4.005 199 HA MET 28 HA MET 28 13.543 1.277 -4.757 200 1HB MET 28 1HB MET 28 12.516 1.867 -2.328 201 2HB MET 28 2HB MET 28 12.114 0.159 -2.327 202 1HG MET 28 1HG MET 28 14.273 0.416 -1.219 203 2HG MET 28 2HG MET 28 14.568 -0.401 -2.763 204 1HE MET 28 1HE MET 28 16.240 2.223 -0.556 205 2HE MET 28 2HE MET 28 16.007 3.763 -1.434 206 3HE MET 28 3HE MET 28 14.595 2.905 -0.753 207 H PHE 29 H PHE 29 10.386 -0.266 -4.088 208 HA PHE 29 HA PHE 29 11.366 -2.881 -5.375 209 1HB PHE 29 1HB PHE 29 8.840 -2.652 -3.641 210 2HB PHE 29 2HB PHE 29 9.664 -4.094 -4.164 211 HD1 PHE 29 HD1 PHE 29 8.920 -3.448 -1.276 212 HD2 PHE 29 HD2 PHE 29 12.581 -2.796 -3.444 213 HE1 PHE 29 HE1 PHE 29 10.202 -3.594 0.820 214 HE2 PHE 29 HE2 PHE 29 13.840 -2.926 -1.334 215 HZ PHE 29 HZ PHE 29 12.658 -3.330 0.796 216 H ASP 30 H ASP 30 10.559 -0.484 -6.782 217 HA ASP 30 HA ASP 30 8.689 -1.742 -8.745 218 1HB ASP 30 1HB ASP 30 7.645 0.910 -7.660 219 2HB ASP 30 2HB ASP 30 7.233 -0.581 -6.844 220 H ALA 31 H ALA 31 10.936 -1.414 -9.587 221 HA ALA 31 HA ALA 31 11.758 1.372 -10.405 222 1HB ALA 31 1HB ALA 31 13.812 0.251 -11.283 223 2HB ALA 31 2HB ALA 31 13.484 -0.210 -9.601 224 3HB ALA 31 3HB ALA 31 13.130 -1.353 -10.922 225 H ASP 32 H ASP 32 9.264 0.112 -11.479 226 HA ASP 32 HA ASP 32 9.881 0.019 -14.467 227 1HB ASP 32 1HB ASP 32 7.219 -0.671 -14.361 228 2HB ASP 32 2HB ASP 32 7.726 -1.246 -12.789 229 H GLY 33 H GLY 33 6.875 0.951 -12.829 230 1HA GLY 33 1HA GLY 33 7.105 3.808 -13.956 231 2HA GLY 33 2HA GLY 33 5.582 2.912 -13.966 232 H GLY 34 H GLY 34 4.799 2.125 -11.812 233 1HA GLY 34 1HA GLY 34 5.194 2.672 -9.183 234 2HA GLY 34 2HA GLY 34 5.100 4.347 -9.735 235 H GLY 35 H GLY 35 3.305 1.278 -9.811 236 1HA GLY 35 1HA GLY 35 0.794 1.483 -10.744 237 2HA GLY 35 2HA GLY 35 0.664 2.813 -9.590 238 H ASP 36 H ASP 36 2.072 -0.463 -9.438 239 HA ASP 36 HA ASP 36 0.926 -1.009 -6.706 240 1HB ASP 36 1HB ASP 36 -0.496 -1.924 -9.145 241 2HB ASP 36 2HB ASP 36 -1.060 -1.747 -7.500 242 H ILE 37 H ILE 37 1.676 -3.005 -5.843 243 HA ILE 37 HA ILE 37 3.958 -4.440 -7.286 244 HB ILE 37 HB ILE 37 5.225 -4.389 -5.003 245 1HG1 ILE 37 1HG1 ILE 37 3.310 -2.034 -4.615 246 2HG1 ILE 37 2HG1 ILE 37 4.967 -1.852 -4.079 247 1HG2 ILE 37 1HG2 ILE 37 6.595 -2.456 -5.794 248 2HG2 ILE 37 2HG2 ILE 37 6.083 -3.444 -7.170 249 3HG2 ILE 37 3HG2 ILE 37 5.268 -1.896 -6.840 250 1HD1 ILE 37 1HD1 ILE 37 4.802 -3.765 -2.516 251 2HD1 ILE 37 2HD1 ILE 37 3.491 -2.602 -2.224 252 3HD1 ILE 37 3HD1 ILE 37 3.149 -4.120 -3.085 253 H SER 38 H SER 38 4.665 -6.170 -5.351 254 HA SER 38 HA SER 38 2.247 -7.913 -4.933 255 1HB SER 38 1HB SER 38 4.706 -8.918 -3.667 256 2HB SER 38 2HB SER 38 5.014 -8.404 -5.328 257 HG SER 38 HG SER 38 4.276 -10.387 -5.541 258 H THR 39 H THR 39 1.671 -8.755 -2.879 259 HA THR 39 HA THR 39 1.623 -6.720 -0.676 260 HB THR 39 HB THR 39 -0.442 -7.927 -1.253 261 HG1 THR 39 HG1 THR 39 -0.092 -8.897 1.252 262 1HG2 THR 39 1HG2 THR 39 -0.883 -10.251 -0.594 263 2HG2 THR 39 2HG2 THR 39 0.463 -10.236 -1.757 264 3HG2 THR 39 3HG2 THR 39 0.786 -10.470 -0.019 265 H LYS 40 H LYS 40 3.180 -9.780 -1.419 266 HA LYS 40 HA LYS 40 4.031 -10.622 1.232 267 1HB LYS 40 1HB LYS 40 4.182 -11.814 -1.190 268 2HB LYS 40 2HB LYS 40 5.814 -11.181 -1.176 269 1HG LYS 40 1HG LYS 40 6.062 -12.359 1.166 270 2HG LYS 40 2HG LYS 40 4.557 -13.174 0.791 271 1HD LYS 40 1HD LYS 40 7.065 -14.167 0.159 272 2HD LYS 40 2HD LYS 40 5.561 -14.663 -0.600 273 1HE LYS 40 1HE LYS 40 7.471 -12.521 -1.718 274 2HE LYS 40 2HE LYS 40 5.919 -12.935 -2.450 275 1HZ LYS 40 1HZ LYS 40 7.788 -15.145 -1.943 276 2HZ LYS 40 2HZ LYS 40 6.738 -14.923 -3.200 277 3HZ LYS 40 3HZ LYS 40 8.168 -14.096 -3.162 278 H GLU 41 H GLU 41 5.374 -8.359 -1.109 279 HA GLU 41 HA GLU 41 7.929 -7.937 0.443 280 1HB GLU 41 1HB GLU 41 7.360 -7.870 -2.272 281 2HB GLU 41 2HB GLU 41 7.396 -6.159 -1.898 282 1HG GLU 41 1HG GLU 41 9.724 -6.353 -0.997 283 2HG GLU 41 2HG GLU 41 9.620 -6.914 -2.657 284 H LEU 42 H LEU 42 4.978 -6.180 -0.450 285 HA LEU 42 HA LEU 42 5.385 -3.532 0.227 286 1HB LEU 42 1HB LEU 42 3.004 -5.342 0.423 287 2HB LEU 42 2HB LEU 42 3.215 -3.847 -0.463 288 HG LEU 42 HG LEU 42 3.043 -2.634 1.878 289 1HD1 LEU 42 1HD1 LEU 42 0.536 -2.599 1.736 290 2HD1 LEU 42 2HD1 LEU 42 1.272 -2.455 0.133 291 3HD1 LEU 42 3HD1 LEU 42 0.564 -4.007 0.644 292 1HD2 LEU 42 1HD2 LEU 42 1.773 -5.347 2.653 293 2HD2 LEU 42 2HD2 LEU 42 3.262 -4.655 3.341 294 3HD2 LEU 42 3HD2 LEU 42 1.708 -3.847 3.614 295 H GLY 43 H GLY 43 4.486 -6.049 2.617 296 1HA GLY 43 1HA GLY 43 4.634 -4.632 5.117 297 2HA GLY 43 2HA GLY 43 5.124 -6.321 4.935 298 H THR 44 H THR 44 7.306 -6.625 3.829 299 HA THR 44 HA THR 44 9.447 -5.843 5.398 300 HB THR 44 HB THR 44 9.481 -6.580 2.447 301 HG1 THR 44 HG1 THR 44 8.982 -7.992 4.328 302 1HG2 THR 44 1HG2 THR 44 11.940 -6.990 2.616 303 2HG2 THR 44 2HG2 THR 44 11.568 -5.258 2.753 304 3HG2 THR 44 3HG2 THR 44 11.977 -6.197 4.211 305 H VAL 45 H VAL 45 7.946 -3.927 2.893 306 HA VAL 45 HA VAL 45 10.110 -1.991 2.419 307 HB VAL 45 HB VAL 45 7.786 -2.533 1.089 308 1HG1 VAL 45 1HG1 VAL 45 6.309 -0.521 1.087 309 2HG1 VAL 45 2HG1 VAL 45 6.299 -1.289 2.679 310 3HG1 VAL 45 3HG1 VAL 45 7.240 0.198 2.428 311 1HG2 VAL 45 1HG2 VAL 45 9.368 0.111 0.831 312 2HG2 VAL 45 2HG2 VAL 45 9.781 -1.430 0.043 313 3HG2 VAL 45 3HG2 VAL 45 8.290 -0.589 -0.404 314 H MET 46 H MET 46 7.079 -1.833 4.322 315 HA MET 46 HA MET 46 7.536 0.828 5.470 316 1HB MET 46 1HB MET 46 5.264 -0.111 5.314 317 2HB MET 46 2HB MET 46 5.642 0.384 6.954 318 1HG MET 46 1HG MET 46 6.330 -2.283 7.158 319 2HG MET 46 2HG MET 46 5.108 -2.387 5.880 320 1HE MET 46 1HE MET 46 1.914 -2.402 7.491 321 2HE MET 46 2HE MET 46 2.253 -0.885 6.607 322 3HE MET 46 3HE MET 46 2.934 -2.429 6.018 323 NH1 ARG 47 NH1 ARG 47 13.143 -5.276 12.174 324 NH2 ARG 47 NH2 ARG 47 11.640 -6.147 13.637 325 H ARG 47 H ARG 47 8.472 -2.420 6.432 326 HA ARG 47 HA ARG 47 9.144 -1.772 9.285 327 1HB ARG 47 1HB ARG 47 8.461 -4.120 8.130 328 2HB ARG 47 2HB ARG 47 10.197 -4.253 7.890 329 1HG ARG 47 1HG ARG 47 9.506 -3.419 10.674 330 2HG ARG 47 2HG ARG 47 8.812 -4.979 10.231 331 1HD ARG 47 1HD ARG 47 11.781 -4.173 10.270 332 2HD ARG 47 2HD ARG 47 11.259 -5.554 9.309 333 HE ARG 47 HE ARG 47 10.310 -6.541 11.543 334 1HH1 ARG 47 1HH1 ARG 47 12.369 -6.008 14.346 335 2HH1 ARG 47 2HH1 ARG 47 10.719 -6.574 13.781 336 1HH2 ARG 47 1HH2 ARG 47 13.309 -4.861 11.251 337 2HH2 ARG 47 2HH2 ARG 47 13.824 -5.383 12.935 338 H MET 48 H MET 48 10.824 -2.075 6.196 339 HA MET 48 HA MET 48 13.577 -1.920 7.397 340 1HB MET 48 1HB MET 48 13.052 -3.348 5.365 341 2HB MET 48 2HB MET 48 12.779 -1.887 4.430 342 1HG MET 48 1HG MET 48 15.471 -2.327 5.849 343 2HG MET 48 2HG MET 48 15.105 -1.240 4.499 344 1HE MET 48 1HE MET 48 13.964 -5.404 4.569 345 2HE MET 48 2HE MET 48 15.706 -5.797 4.481 346 3HE MET 48 3HE MET 48 15.087 -4.793 5.824 347 H LEU 49 H LEU 49 11.242 0.368 6.942 348 HA LEU 49 HA LEU 49 13.253 2.619 6.387 349 1HB LEU 49 1HB LEU 49 11.615 3.008 4.795 350 2HB LEU 49 2HB LEU 49 11.083 4.027 6.114 351 HG LEU 49 HG LEU 49 9.845 1.258 6.012 352 1HD1 LEU 49 1HD1 LEU 49 8.988 3.453 4.019 353 2HD1 LEU 49 2HD1 LEU 49 9.902 2.000 3.572 354 3HD1 LEU 49 3HD1 LEU 49 8.251 1.843 4.221 355 1HD2 LEU 49 1HD2 LEU 49 7.841 2.441 6.814 356 2HD2 LEU 49 2HD2 LEU 49 9.224 3.042 7.762 357 3HD2 LEU 49 3HD2 LEU 49 8.561 4.031 6.453 358 H GLY 50 H GLY 50 10.669 1.395 8.482 359 1HA GLY 50 1HA GLY 50 11.871 2.034 11.006 360 2HA GLY 50 2HA GLY 50 10.946 3.483 10.603 361 H GLN 51 H GLN 51 10.640 -0.039 10.916 362 HA GLN 51 HA GLN 51 8.150 0.229 12.591 363 1HB GLN 51 1HB GLN 51 7.731 -0.121 9.821 364 2HB GLN 51 2HB GLN 51 7.645 -1.759 10.445 365 1HG GLN 51 1HG GLN 51 5.422 -1.176 10.659 366 2HG GLN 51 2HG GLN 51 5.975 -0.740 12.263 367 1HE2 GLN 51 1HE2 GLN 51 4.135 2.294 11.402 368 2HE2 GLN 51 2HE2 GLN 51 4.122 0.708 12.325 369 H ASN 52 H ASN 52 7.513 -1.945 13.400 370 HA ASN 52 HA ASN 52 9.929 -3.781 13.689 371 1HB ASN 52 1HB ASN 52 9.723 -3.753 15.937 372 2HB ASN 52 2HB ASN 52 8.817 -2.278 15.678 373 1HD2 ASN 52 1HD2 ASN 52 5.926 -3.751 17.225 374 2HD2 ASN 52 2HD2 ASN 52 6.745 -2.269 16.516 375 HA PRO 53 HA PRO 53 6.159 -6.853 13.626 376 1HB PRO 53 1HB PRO 53 3.558 -6.077 13.413 377 2HB PRO 53 2HB PRO 53 4.532 -5.743 14.861 378 1HG PRO 53 1HG PRO 53 3.887 -3.817 12.580 379 2HG PRO 53 2HG PRO 53 3.769 -3.523 14.331 380 1HD PRO 53 1HD PRO 53 5.995 -2.838 12.702 381 2HD PRO 53 2HD PRO 53 6.087 -3.042 14.480 382 H THR 54 H THR 54 3.911 -7.192 11.918 383 HA THR 54 HA THR 54 3.119 -7.394 9.661 384 HB THR 54 HB THR 54 3.507 -5.761 8.183 385 HG1 THR 54 HG1 THR 54 5.727 -4.970 7.833 386 1HG2 THR 54 1HG2 THR 54 4.437 -3.638 9.034 387 2HG2 THR 54 2HG2 THR 54 3.451 -4.413 10.295 388 3HG2 THR 54 3HG2 THR 54 5.229 -4.478 10.389 389 H LYS 55 H LYS 55 5.621 -8.787 11.029 390 HA LYS 55 HA LYS 55 6.851 -10.189 8.648 391 1HB LYS 55 1HB LYS 55 7.297 -10.351 11.670 392 2HB LYS 55 2HB LYS 55 8.424 -9.845 10.430 393 1HG LYS 55 1HG LYS 55 8.077 -12.455 11.623 394 2HG LYS 55 2HG LYS 55 7.649 -12.634 9.933 395 1HD LYS 55 1HD LYS 55 9.842 -12.445 9.219 396 2HD LYS 55 2HD LYS 55 10.145 -11.064 10.262 397 1HE LYS 55 1HE LYS 55 10.195 -12.859 12.246 398 2HE LYS 55 2HE LYS 55 10.473 -14.029 10.955 399 1HZ LYS 55 1HZ LYS 55 12.245 -11.996 12.000 400 2HZ LYS 55 2HZ LYS 55 12.606 -13.414 11.233 401 3HZ LYS 55 3HZ LYS 55 12.246 -12.065 10.349 402 H GLU 56 H GLU 56 5.663 -11.691 11.637 403 HA GLU 56 HA GLU 56 4.394 -14.008 10.305 404 1HB GLU 56 1HB GLU 56 3.264 -14.288 12.655 405 2HB GLU 56 2HB GLU 56 4.287 -12.962 13.170 406 1HG GLU 56 1HG GLU 56 6.251 -14.243 13.110 407 2HG GLU 56 2HG GLU 56 5.072 -15.479 13.516 408 H GLU 57 H GLU 57 3.374 -10.802 11.288 409 HA GLU 57 HA GLU 57 0.464 -11.142 10.965 410 1HB GLU 57 1HB GLU 57 1.832 -8.452 10.569 411 2HB GLU 57 2HB GLU 57 0.224 -8.795 11.176 412 1HG GLU 57 1HG GLU 57 2.733 -9.654 12.743 413 2HG GLU 57 2HG GLU 57 2.083 -8.028 12.869 414 H LEU 58 H LEU 58 3.133 -10.447 8.773 415 HA LEU 58 HA LEU 58 1.794 -9.466 6.424 416 1HB LEU 58 1HB LEU 58 4.400 -10.430 6.962 417 2HB LEU 58 2HB LEU 58 3.814 -11.538 5.740 418 HG LEU 58 HG LEU 58 3.578 -9.828 4.080 419 1HD1 LEU 58 1HD1 LEU 58 3.698 -7.359 4.554 420 2HD1 LEU 58 2HD1 LEU 58 2.334 -8.114 5.392 421 3HD1 LEU 58 3HD1 LEU 58 3.805 -7.691 6.302 422 1HD2 LEU 58 1HD2 LEU 58 6.072 -9.032 5.729 423 2HD2 LEU 58 2HD2 LEU 58 5.989 -10.353 4.537 424 3HD2 LEU 58 3HD2 LEU 58 5.795 -8.673 4.006 425 H ASP 59 H ASP 59 2.011 -12.724 7.759 426 HA ASP 59 HA ASP 59 0.858 -14.348 5.708 427 1HB ASP 59 1HB ASP 59 0.102 -14.782 8.642 428 2HB ASP 59 2HB ASP 59 0.210 -15.967 7.361 429 H ALA 60 H ALA 60 -0.877 -12.610 8.317 430 HA ALA 60 HA ALA 60 -3.588 -13.314 7.500 431 1HB ALA 60 1HB ALA 60 -4.326 -11.509 9.049 432 2HB ALA 60 2HB ALA 60 -3.062 -12.514 9.785 433 3HB ALA 60 3HB ALA 60 -2.663 -10.889 9.172 434 H ILE 61 H ILE 61 -1.629 -10.387 6.908 435 HA ILE 61 HA ILE 61 -3.424 -8.686 5.568 436 HB ILE 61 HB ILE 61 -0.433 -9.016 5.073 437 1HG1 ILE 61 1HG1 ILE 61 -1.214 -8.082 7.338 438 2HG1 ILE 61 2HG1 ILE 61 -1.982 -6.754 6.496 439 1HG2 ILE 61 1HG2 ILE 61 -0.460 -6.867 3.779 440 2HG2 ILE 61 2HG2 ILE 61 -1.419 -8.099 2.960 441 3HG2 ILE 61 3HG2 ILE 61 -2.238 -6.811 3.875 442 1HD1 ILE 61 1HD1 ILE 61 0.179 -5.879 5.652 443 2HD1 ILE 61 2HD1 ILE 61 0.228 -6.084 7.416 444 3HD1 ILE 61 3HD1 ILE 61 1.045 -7.266 6.367 445 H ILE 62 H ILE 62 -1.792 -11.587 4.451 446 HA ILE 62 HA ILE 62 -2.353 -11.275 1.533 447 HB ILE 62 HB ILE 62 -1.173 -13.483 3.237 448 1HG1 ILE 62 1HG1 ILE 62 -0.140 -12.230 0.608 449 2HG1 ILE 62 2HG1 ILE 62 0.244 -11.582 2.188 450 1HG2 ILE 62 1HG2 ILE 62 -1.117 -15.068 1.294 451 2HG2 ILE 62 2HG2 ILE 62 -2.782 -14.721 1.755 452 3HG2 ILE 62 3HG2 ILE 62 -2.087 -13.937 0.318 453 1HD1 ILE 62 1HD1 ILE 62 1.082 -14.379 1.222 454 2HD1 ILE 62 2HD1 ILE 62 2.114 -12.954 1.463 455 3HD1 ILE 62 3HD1 ILE 62 1.359 -13.743 2.867 456 H GLU 63 H GLU 63 -3.647 -13.263 4.202 457 HA GLU 63 HA GLU 63 -5.902 -14.541 3.024 458 1HB GLU 63 1HB GLU 63 -6.072 -13.217 5.774 459 2HB GLU 63 2HB GLU 63 -6.979 -14.597 5.189 460 1HG GLU 63 1HG GLU 63 -5.214 -15.332 6.757 461 2HG GLU 63 2HG GLU 63 -3.965 -14.518 5.831 462 H GLU 64 H GLU 64 -5.433 -11.148 3.805 463 HA GLU 64 HA GLU 64 -8.286 -10.323 3.560 464 1HB GLU 64 1HB GLU 64 -6.214 -8.186 3.313 465 2HB GLU 64 2HB GLU 64 -6.054 -9.180 4.747 466 1HG GLU 64 1HG GLU 64 -7.475 -7.021 4.960 467 2HG GLU 64 2HG GLU 64 -8.700 -7.798 3.972 468 H VAL 65 H VAL 65 -5.337 -9.986 1.579 469 HA VAL 65 HA VAL 65 -6.929 -8.829 -0.739 470 HB VAL 65 HB VAL 65 -3.885 -9.055 -0.571 471 1HG1 VAL 65 1HG1 VAL 65 -3.893 -7.279 -2.335 472 2HG1 VAL 65 2HG1 VAL 65 -4.758 -8.724 -2.890 473 3HG1 VAL 65 3HG1 VAL 65 -5.674 -7.288 -2.374 474 1HG2 VAL 65 1HG2 VAL 65 -5.610 -6.619 0.259 475 2HG2 VAL 65 2HG2 VAL 65 -4.614 -7.621 1.342 476 3HG2 VAL 65 3HG2 VAL 65 -3.836 -6.632 0.098 477 H ASP 66 H ASP 66 -6.925 -11.708 0.209 478 HA ASP 66 HA ASP 66 -6.412 -12.957 -2.537 479 1HB ASP 66 1HB ASP 66 -4.716 -13.672 -0.694 480 2HB ASP 66 2HB ASP 66 -6.037 -14.538 0.057 481 H GLU 67 H GLU 67 -8.686 -12.097 -0.267 482 HA GLU 67 HA GLU 67 -10.624 -14.367 -0.710 483 1HB GLU 67 1HB GLU 67 -10.523 -13.227 1.501 484 2HB GLU 67 2HB GLU 67 -11.006 -11.709 0.770 485 1HG GLU 67 1HG GLU 67 -13.258 -12.543 0.274 486 2HG GLU 67 2HG GLU 67 -12.800 -14.206 0.603 487 H ASP 68 H ASP 68 -10.490 -10.851 -1.365 488 HA ASP 68 HA ASP 68 -12.641 -11.098 -3.507 489 1HB ASP 68 1HB ASP 68 -11.485 -8.596 -2.152 490 2HB ASP 68 2HB ASP 68 -13.035 -9.338 -1.832 491 H GLY 69 H GLY 69 -9.329 -9.880 -2.974 492 1HA GLY 69 1HA GLY 69 -7.772 -9.034 -4.762 493 2HA GLY 69 2HA GLY 69 -8.825 -9.768 -5.976 494 H SER 70 H SER 70 -6.107 -10.154 -5.976 495 HA SER 70 HA SER 70 -5.844 -13.159 -5.411 496 1HB SER 70 1HB SER 70 -4.214 -13.047 -7.461 497 2HB SER 70 2HB SER 70 -4.970 -11.491 -7.815 498 HG SER 70 HG SER 70 -7.014 -12.838 -7.420 499 H GLY 71 H GLY 71 -4.200 -10.015 -5.518 500 1HA GLY 71 1HA GLY 71 -2.520 -10.124 -3.249 501 2HA GLY 71 2HA GLY 71 -1.601 -11.077 -4.419 502 H THR 72 H THR 72 -3.649 -8.220 -4.949 503 HA THR 72 HA THR 72 -1.220 -6.673 -5.955 504 HB THR 72 HB THR 72 -2.919 -5.485 -7.550 505 HG1 THR 72 HG1 THR 72 -4.362 -7.341 -8.250 506 1HG2 THR 72 1HG2 THR 72 -1.014 -7.347 -8.166 507 2HG2 THR 72 2HG2 THR 72 -2.458 -8.269 -8.637 508 3HG2 THR 72 3HG2 THR 72 -2.129 -6.681 -9.380 509 H ILE 73 H ILE 73 -0.874 -4.846 -4.934 510 HA ILE 73 HA ILE 73 -3.175 -3.328 -3.666 511 HB ILE 73 HB ILE 73 -1.658 -4.770 -2.037 512 1HG1 ILE 73 1HG1 ILE 73 -2.347 -1.983 -1.019 513 2HG1 ILE 73 2HG1 ILE 73 -3.622 -3.000 -1.665 514 1HG2 ILE 73 1HG2 ILE 73 0.172 -3.563 -0.905 515 2HG2 ILE 73 2HG2 ILE 73 0.562 -3.710 -2.625 516 3HG2 ILE 73 3HG2 ILE 73 -0.016 -2.156 -1.978 517 1HD1 ILE 73 1HD1 ILE 73 -1.860 -3.670 0.767 518 2HD1 ILE 73 2HD1 ILE 73 -3.608 -3.351 0.724 519 3HD1 ILE 73 3HD1 ILE 73 -2.964 -4.845 0.003 520 H ASP 74 H ASP 74 -2.982 -1.107 -3.659 521 HA ASP 74 HA ASP 74 -0.922 0.026 -5.625 522 1HB ASP 74 1HB ASP 74 -2.790 1.886 -5.908 523 2HB ASP 74 2HB ASP 74 -2.842 0.389 -6.811 524 H PHE 75 H PHE 75 -0.887 2.554 -5.314 525 HA PHE 75 HA PHE 75 0.473 3.063 -2.736 526 1HB PHE 75 1HB PHE 75 -0.357 5.156 -4.828 527 2HB PHE 75 2HB PHE 75 1.024 4.112 -5.041 528 HD1 PHE 75 HD1 PHE 75 2.964 5.475 -4.792 529 HD2 PHE 75 HD2 PHE 75 -0.184 5.884 -1.887 530 HE1 PHE 75 HE1 PHE 75 4.215 7.276 -3.674 531 HE2 PHE 75 HE2 PHE 75 1.120 7.626 -0.736 532 HZ PHE 75 HZ PHE 75 3.317 8.322 -1.621 533 H GLU 76 H GLU 76 -2.722 3.649 -4.084 534 HA GLU 76 HA GLU 76 -3.664 5.697 -2.210 535 1HB GLU 76 1HB GLU 76 -6.011 4.928 -2.989 536 2HB GLU 76 2HB GLU 76 -5.197 3.777 -4.031 537 1HG GLU 76 1HG GLU 76 -5.938 6.205 -4.922 538 2HG GLU 76 2HG GLU 76 -4.420 6.733 -4.214 539 H GLU 77 H GLU 77 -4.812 2.325 -2.458 540 HA GLU 77 HA GLU 77 -5.900 2.004 0.205 541 1HB GLU 77 1HB GLU 77 -5.826 0.371 -1.973 542 2HB GLU 77 2HB GLU 77 -4.586 -0.418 -1.018 543 1HG GLU 77 1HG GLU 77 -6.360 -0.447 0.945 544 2HG GLU 77 2HG GLU 77 -7.542 -0.007 -0.277 545 H PHE 78 H PHE 78 -2.605 1.922 -0.983 546 HA PHE 78 HA PHE 78 -1.283 0.539 1.212 547 1HB PHE 78 1HB PHE 78 0.066 0.678 -0.678 548 2HB PHE 78 2HB PHE 78 -0.364 2.327 -1.046 549 HD1 PHE 78 HD1 PHE 78 1.030 4.181 -0.231 550 HD2 PHE 78 HD2 PHE 78 1.723 0.207 1.265 551 HE1 PHE 78 HE1 PHE 78 3.201 4.893 0.687 552 HE2 PHE 78 HE2 PHE 78 3.893 0.936 2.168 553 HZ PHE 78 HZ PHE 78 4.630 3.278 1.894 554 H LEU 79 H LEU 79 -2.061 3.957 0.649 555 HA LEU 79 HA LEU 79 -0.773 5.041 3.113 556 1HB LEU 79 1HB LEU 79 -2.936 6.279 1.308 557 2HB LEU 79 2HB LEU 79 -2.134 7.114 2.621 558 HG LEU 79 HG LEU 79 -0.429 5.920 0.381 559 1HD1 LEU 79 1HD1 LEU 79 -0.055 8.488 2.050 560 2HD1 LEU 79 2HD1 LEU 79 0.661 6.918 2.461 561 3HD1 LEU 79 3HD1 LEU 79 1.136 7.741 0.954 562 1HD2 LEU 79 1HD2 LEU 79 -0.681 7.921 -1.024 563 2HD2 LEU 79 2HD2 LEU 79 -2.316 7.285 -0.717 564 3HD2 LEU 79 3HD2 LEU 79 -1.745 8.704 0.173 565 H VAL 80 H VAL 80 -3.922 3.788 2.153 566 HA VAL 80 HA VAL 80 -5.528 4.713 4.404 567 HB VAL 80 HB VAL 80 -5.945 2.407 2.456 568 1HG1 VAL 80 1HG1 VAL 80 -8.255 2.094 3.366 569 2HG1 VAL 80 2HG1 VAL 80 -7.041 1.671 4.580 570 3HG1 VAL 80 3HG1 VAL 80 -7.903 3.221 4.701 571 1HG2 VAL 80 1HG2 VAL 80 -7.514 5.043 2.823 572 2HG2 VAL 80 2HG2 VAL 80 -6.331 4.724 1.532 573 3HG2 VAL 80 3HG2 VAL 80 -7.831 3.787 1.601 574 H MET 81 H MET 81 -3.435 1.921 3.899 575 HA MET 81 HA MET 81 -4.270 0.362 6.287 576 1HB MET 81 1HB MET 81 -2.987 -1.299 5.447 577 2HB MET 81 2HB MET 81 -2.872 -0.300 4.011 578 1HG MET 81 1HG MET 81 -0.726 0.717 5.474 579 2HG MET 81 2HG MET 81 -0.610 -0.563 4.256 580 1HE MET 81 1HE MET 81 -0.307 -3.859 6.115 581 2HE MET 81 2HE MET 81 -0.982 -3.029 4.683 582 3HE MET 81 3HE MET 81 0.766 -2.912 5.037 583 H MET 82 H MET 82 -1.791 2.748 5.517 584 HA MET 82 HA MET 82 -0.119 2.479 7.910 585 1HB MET 82 1HB MET 82 0.803 4.728 7.347 586 2HB MET 82 2HB MET 82 -0.484 4.994 6.185 587 1HG MET 82 1HG MET 82 0.641 2.542 5.299 588 2HG MET 82 2HG MET 82 0.911 4.146 4.598 589 1HE MET 82 1HE MET 82 3.556 2.918 8.250 590 2HE MET 82 2HE MET 82 1.855 3.468 8.303 591 3HE MET 82 3HE MET 82 2.241 1.821 7.723 592 H VAL 83 H VAL 83 -2.455 5.065 7.078 593 HA VAL 83 HA VAL 83 -2.740 6.384 9.570 594 HB VAL 83 HB VAL 83 -4.941 5.895 7.502 595 1HG1 VAL 83 1HG1 VAL 83 -6.173 7.819 8.522 596 2HG1 VAL 83 2HG1 VAL 83 -6.026 6.489 9.679 597 3HG1 VAL 83 3HG1 VAL 83 -4.976 7.915 9.839 598 1HG2 VAL 83 1HG2 VAL 83 -3.151 8.376 7.951 599 2HG2 VAL 83 2HG2 VAL 83 -3.030 7.241 6.587 600 3HG2 VAL 83 3HG2 VAL 83 -4.477 8.243 6.768 601 NH1 ARG 84 NH1 ARG 84 -9.125 -2.299 8.100 602 NH2 ARG 84 NH2 ARG 84 -8.460 -1.876 5.969 603 H ARG 84 H ARG 84 -3.903 3.223 8.619 604 HA ARG 84 HA ARG 84 -5.849 2.697 10.759 605 1HB ARG 84 1HB ARG 84 -4.892 1.282 8.494 606 2HB ARG 84 2HB ARG 84 -4.368 0.298 9.854 607 1HG ARG 84 1HG ARG 84 -6.767 0.359 10.774 608 2HG ARG 84 2HG ARG 84 -7.266 1.168 9.287 609 1HD ARG 84 1HD ARG 84 -5.658 -1.335 8.818 610 2HD ARG 84 2HD ARG 84 -7.185 -1.615 9.652 611 HE ARG 84 HE ARG 84 -7.187 -0.015 7.051 612 1HH1 ARG 84 1HH1 ARG 84 -9.769 -2.979 7.680 613 2HH1 ARG 84 2HH1 ARG 84 -9.041 -2.065 9.095 614 1HH2 ARG 84 1HH2 ARG 84 -7.802 -1.395 5.346 615 2HH2 ARG 84 2HH2 ARG 84 -9.212 -2.517 5.693 616 H GLN 85 H GLN 85 -2.575 1.264 10.423 617 HA GLN 85 HA GLN 85 -2.503 0.209 13.168 618 1HB GLN 85 1HB GLN 85 0.157 0.617 11.856 619 2HB GLN 85 2HB GLN 85 -1.017 -0.212 10.847 620 1HG GLN 85 1HG GLN 85 0.064 -1.103 13.570 621 2HG GLN 85 2HG GLN 85 -1.429 -1.780 12.952 622 1HE2 GLN 85 1HE2 GLN 85 2.178 -2.859 11.201 623 2HE2 GLN 85 2HE2 GLN 85 2.048 -1.387 12.289 624 H MET 86 H MET 86 -0.643 2.841 11.628 625 HA MET 86 HA MET 86 0.947 3.916 13.633 626 1HB MET 86 1HB MET 86 -0.179 6.277 12.507 627 2HB MET 86 2HB MET 86 -0.376 5.064 11.256 628 1HG MET 86 1HG MET 86 2.326 4.715 12.206 629 2HG MET 86 2HG MET 86 1.791 5.358 10.645 630 1HE MET 86 1HE MET 86 3.946 7.722 10.543 631 2HE MET 86 2HE MET 86 4.652 7.577 12.179 632 3HE MET 86 3HE MET 86 4.256 6.104 11.246 633 H LYS 87 H LYS 87 -2.556 4.299 13.352 634 HA LYS 87 HA LYS 87 -3.068 6.214 15.483 635 1HB LYS 87 1HB LYS 87 -4.693 4.389 13.868 636 2HB LYS 87 2HB LYS 87 -5.222 4.283 15.534 637 1HG LYS 87 1HG LYS 87 -5.059 6.833 13.822 638 2HG LYS 87 2HG LYS 87 -6.518 5.962 14.248 639 1HD LYS 87 1HD LYS 87 -4.997 6.794 16.681 640 2HD LYS 87 2HD LYS 87 -5.343 8.150 15.620 641 1HE LYS 87 1HE LYS 87 -7.208 8.080 17.115 642 2HE LYS 87 2HE LYS 87 -7.836 7.424 15.602 643 1HZ LYS 87 1HZ LYS 87 -7.103 5.163 16.734 644 2HZ LYS 87 2HZ LYS 87 -7.273 6.034 18.127 645 3HZ LYS 87 3HZ LYS 87 -8.553 5.866 17.096 646 H GLU 88 H GLU 88 -3.439 2.649 15.648 647 HA GLU 88 HA GLU 88 -3.371 1.119 17.507 648 1HB GLU 88 1HB GLU 88 -0.799 2.694 17.552 649 2HB GLU 88 2HB GLU 88 -1.138 1.687 18.945 650 1HG GLU 88 1HG GLU 88 -1.658 -0.088 16.810 651 2HG GLU 88 2HG GLU 88 -0.359 0.899 16.160 652 H ASP 89 H ASP 89 -1.754 3.503 19.472 653 HA ASP 89 HA ASP 89 -2.398 4.713 21.449 654 1HB ASP 89 1HB ASP 89 -5.338 4.088 20.870 655 2HB ASP 89 2HB ASP 89 -4.474 5.317 19.976 656 H ALA 90 H ALA 90 -1.305 3.029 22.501 657 HA ALA 90 HA ALA 90 -1.012 1.264 24.121 658 1HB ALA 90 1HB ALA 90 -3.867 2.169 24.631 659 2HB ALA 90 2HB ALA 90 -3.403 0.582 25.277 660 3HB ALA 90 3HB ALA 90 -2.502 2.037 25.769 Start of MODEL 9 Raw file had 660 H/Q atoms Start of MODEL 9 1 1H ALA 1 1H ALA 1 -19.987 11.534 7.304 2 2H ALA 1 2H ALA 1 -21.314 10.832 6.547 3 3H ALA 1 3H ALA 1 -21.167 10.764 8.221 4 HA ALA 1 HA ALA 1 -18.915 9.623 7.678 5 1HB ALA 1 1HB ALA 1 -19.909 7.668 8.467 6 2HB ALA 1 2HB ALA 1 -21.225 8.795 8.847 7 3HB ALA 1 3HB ALA 1 -21.319 7.776 7.388 8 H SER 2 H SER 2 -17.818 8.698 6.063 9 HA SER 2 HA SER 2 -19.136 7.961 3.424 10 1HB SER 2 1HB SER 2 -18.521 10.331 3.117 11 2HB SER 2 2HB SER 2 -16.849 10.003 3.579 12 HG SER 2 HG SER 2 -18.000 9.756 1.221 13 H MET 3 H MET 3 -18.649 5.844 3.832 14 HA MET 3 HA MET 3 -15.758 4.982 4.293 15 1HB MET 3 1HB MET 3 -18.417 3.836 5.014 16 2HB MET 3 2HB MET 3 -17.302 2.647 4.367 17 1HG MET 3 1HG MET 3 -15.537 3.625 6.100 18 2HG MET 3 2HG MET 3 -16.949 4.342 6.894 19 1HE MET 3 1HE MET 3 -18.910 1.550 8.470 20 2HE MET 3 2HE MET 3 -17.823 2.822 9.104 21 3HE MET 3 3HE MET 3 -18.946 3.197 7.764 22 H THR 4 H THR 4 -18.403 4.922 1.992 23 HA THR 4 HA THR 4 -17.625 2.988 0.025 24 HB THR 4 HB THR 4 -18.760 4.236 -1.657 25 HG1 THR 4 HG1 THR 4 -18.030 6.385 -0.086 26 1HG2 THR 4 1HG2 THR 4 -20.937 4.857 -0.679 27 2HG2 THR 4 2HG2 THR 4 -20.362 3.360 0.090 28 3HG2 THR 4 3HG2 THR 4 -20.258 4.911 0.962 29 H ASP 5 H ASP 5 -16.107 5.972 1.012 30 HA ASP 5 HA ASP 5 -13.712 5.368 -0.786 31 1HB ASP 5 1HB ASP 5 -15.231 8.003 -0.661 32 2HB ASP 5 2HB ASP 5 -13.499 8.032 -0.906 33 H GLN 6 H GLN 6 -13.543 4.416 1.555 34 HA GLN 6 HA GLN 6 -12.494 6.184 3.716 35 1HB GLN 6 1HB GLN 6 -11.996 4.212 4.941 36 2HB GLN 6 2HB GLN 6 -13.484 3.869 4.077 37 1HG GLN 6 1HG GLN 6 -10.864 2.997 2.790 38 2HG GLN 6 2HG GLN 6 -12.465 2.318 2.588 39 1HE2 GLN 6 1HE2 GLN 6 -12.010 0.864 6.156 40 2HE2 GLN 6 2HE2 GLN 6 -13.116 2.139 5.438 41 H GLN 7 H GLN 7 -11.199 4.431 0.949 42 HA GLN 7 HA GLN 7 -8.395 4.301 1.369 43 1HB GLN 7 1HB GLN 7 -8.162 4.816 -1.176 44 2HB GLN 7 2HB GLN 7 -9.038 3.384 -0.663 45 1HG GLN 7 1HG GLN 7 -11.181 5.063 -0.843 46 2HG GLN 7 2HG GLN 7 -10.123 5.915 -1.949 47 1HE2 GLN 7 1HE2 GLN 7 -11.894 2.402 -3.130 48 2HE2 GLN 7 2HE2 GLN 7 -12.083 3.089 -1.440 49 H ALA 8 H ALA 8 -10.151 7.085 -0.064 50 HA ALA 8 HA ALA 8 -7.862 8.923 -0.197 51 1HB ALA 8 1HB ALA 8 -9.566 9.560 -1.644 52 2HB ALA 8 2HB ALA 8 -10.869 9.215 -0.490 53 3HB ALA 8 3HB ALA 8 -9.886 10.690 -0.306 54 H GLU 9 H GLU 9 -10.265 8.150 2.256 55 HA GLU 9 HA GLU 9 -10.170 10.367 4.051 56 1HB GLU 9 1HB GLU 9 -11.503 8.043 4.149 57 2HB GLU 9 2HB GLU 9 -10.226 7.587 5.259 58 1HG GLU 9 1HG GLU 9 -12.071 10.040 5.613 59 2HG GLU 9 2HG GLU 9 -10.793 9.582 6.726 60 H ALA 10 H ALA 10 -7.881 7.706 3.632 61 HA ALA 10 HA ALA 10 -6.247 8.120 6.043 62 1HB ALA 10 1HB ALA 10 -4.595 6.619 4.939 63 2HB ALA 10 2HB ALA 10 -6.240 5.965 4.822 64 3HB ALA 10 3HB ALA 10 -5.482 6.724 3.399 65 NH1 ARG 11 NH1 ARG 11 -4.451 13.167 -3.695 66 NH2 ARG 11 NH2 ARG 11 -6.687 12.922 -3.376 67 H ARG 11 H ARG 11 -6.032 9.268 2.691 68 HA ARG 11 HA ARG 11 -3.456 10.641 2.755 69 1HB ARG 11 1HB ARG 11 -4.453 10.268 0.597 70 2HB ARG 11 2HB ARG 11 -5.961 11.045 1.057 71 1HG ARG 11 1HG ARG 11 -5.162 13.219 0.765 72 2HG ARG 11 2HG ARG 11 -3.495 12.803 1.166 73 1HD ARG 11 1HD ARG 11 -3.325 11.525 -1.063 74 2HD ARG 11 2HD ARG 11 -3.500 13.272 -1.215 75 HE ARG 11 HE ARG 11 -5.996 11.533 -1.439 76 1HH1 ARG 11 1HH1 ARG 11 -4.704 13.566 -4.606 77 2HH1 ARG 11 2HH1 ARG 11 -3.504 13.052 -3.316 78 1HH2 ARG 11 1HH2 ARG 11 -7.439 12.503 -2.818 79 2HH2 ARG 11 2HH2 ARG 11 -6.791 13.454 -4.247 80 H ALA 12 H ALA 12 -6.680 11.556 3.830 81 HA ALA 12 HA ALA 12 -6.544 14.386 4.142 82 1HB ALA 12 1HB ALA 12 -8.207 14.175 5.977 83 2HB ALA 12 2HB ALA 12 -8.603 13.095 4.626 84 3HB ALA 12 3HB ALA 12 -7.884 12.429 6.113 85 H PHE 13 H PHE 13 -5.039 11.866 6.092 86 HA PHE 13 HA PHE 13 -4.012 13.880 8.132 87 1HB PHE 13 1HB PHE 13 -5.250 11.828 8.936 88 2HB PHE 13 2HB PHE 13 -4.007 10.803 8.268 89 HD1 PHE 13 HD1 PHE 13 -3.334 9.810 10.413 90 HD2 PHE 13 HD2 PHE 13 -3.246 14.089 9.951 91 HE1 PHE 13 HE1 PHE 13 -2.048 10.021 12.500 92 HE2 PHE 13 HE2 PHE 13 -1.943 14.276 12.028 93 HZ PHE 13 HZ PHE 13 -1.393 12.254 13.336 94 H LEU 14 H LEU 14 -2.947 13.899 5.525 95 HA LEU 14 HA LEU 14 -0.017 13.476 6.063 96 1HB LEU 14 1HB LEU 14 -1.323 12.040 3.675 97 2HB LEU 14 2HB LEU 14 0.400 12.196 3.943 98 HG LEU 14 HG LEU 14 -1.395 10.797 6.009 99 1HD1 LEU 14 1HD1 LEU 14 1.610 10.433 5.409 100 2HD1 LEU 14 2HD1 LEU 14 0.969 11.473 6.694 101 3HD1 LEU 14 3HD1 LEU 14 0.692 9.715 6.758 102 1HD2 LEU 14 1HD2 LEU 14 -0.970 8.623 4.941 103 2HD2 LEU 14 2HD2 LEU 14 -1.674 9.692 3.703 104 3HD2 LEU 14 3HD2 LEU 14 0.066 9.368 3.697 105 H SER 15 H SER 15 0.663 15.428 5.631 106 HA SER 15 HA SER 15 -0.579 17.520 4.100 107 1HB SER 15 1HB SER 15 1.985 18.368 3.971 108 2HB SER 15 2HB SER 15 2.218 17.082 5.159 109 HG SER 15 HG SER 15 1.564 18.595 6.431 110 H GLU 16 H GLU 16 0.376 18.557 2.130 111 HA GLU 16 HA GLU 16 0.217 16.693 -0.177 112 1HB GLU 16 1HB GLU 16 -0.437 19.317 0.106 113 2HB GLU 16 2HB GLU 16 1.152 19.530 -0.601 114 1HG GLU 16 1HG GLU 16 0.385 17.951 -2.533 115 2HG GLU 16 2HG GLU 16 -1.230 18.027 -1.849 116 H GLU 17 H GLU 17 2.740 18.402 1.570 117 HA GLU 17 HA GLU 17 4.921 17.871 -0.417 118 1HB GLU 17 1HB GLU 17 4.859 19.205 2.307 119 2HB GLU 17 2HB GLU 17 6.396 18.662 1.665 120 1HG GLU 17 1HG GLU 17 5.479 20.065 -0.538 121 2HG GLU 17 2HG GLU 17 4.609 20.921 0.724 122 H MET 18 H MET 18 3.712 16.498 2.595 123 HA MET 18 HA MET 18 5.920 14.630 3.162 124 1HB MET 18 1HB MET 18 4.563 15.066 5.040 125 2HB MET 18 2HB MET 18 3.060 14.878 4.156 126 1HG MET 18 1HG MET 18 4.704 12.355 4.308 127 2HG MET 18 2HG MET 18 2.960 12.590 4.503 128 1HE MET 18 1HE MET 18 6.420 12.391 6.000 129 2HE MET 18 2HE MET 18 6.109 12.228 7.754 130 3HE MET 18 3HE MET 18 5.514 10.976 6.625 131 H ILE 19 H ILE 19 2.960 14.494 1.253 132 HA ILE 19 HA ILE 19 2.911 11.647 0.569 133 HB ILE 19 HB ILE 19 1.815 14.054 -0.963 134 1HG1 ILE 19 1HG1 ILE 19 0.779 13.233 1.357 135 2HG1 ILE 19 2HG1 ILE 19 -0.270 13.669 0.025 136 1HG2 ILE 19 1HG2 ILE 19 0.558 12.456 -2.425 137 2HG2 ILE 19 2HG2 ILE 19 2.294 12.221 -2.616 138 3HG2 ILE 19 3HG2 ILE 19 1.355 11.072 -1.637 139 1HD1 ILE 19 1HD1 ILE 19 0.410 10.775 0.811 140 2HD1 ILE 19 2HD1 ILE 19 -1.132 11.628 1.026 141 3HD1 ILE 19 3HD1 ILE 19 -0.559 11.242 -0.613 142 H ALA 20 H ALA 20 4.482 14.481 -0.906 143 HA ALA 20 HA ALA 20 5.543 13.415 -3.320 144 1HB ALA 20 1HB ALA 20 7.253 15.303 -1.643 145 2HB ALA 20 2HB ALA 20 6.993 15.281 -3.398 146 3HB ALA 20 3HB ALA 20 5.701 15.856 -2.314 147 H GLU 21 H GLU 21 7.172 13.487 -0.128 148 HA GLU 21 HA GLU 21 9.567 11.995 -0.993 149 1HB GLU 21 1HB GLU 21 8.562 12.620 1.833 150 2HB GLU 21 2HB GLU 21 9.642 13.610 0.872 151 1HG GLU 21 1HG GLU 21 11.301 11.577 0.885 152 2HG GLU 21 2HG GLU 21 10.249 10.846 2.085 153 H PHE 22 H PHE 22 6.490 11.152 0.487 154 HA PHE 22 HA PHE 22 6.926 8.496 1.453 155 1HB PHE 22 1HB PHE 22 4.354 9.293 -0.021 156 2HB PHE 22 2HB PHE 22 4.753 9.943 1.548 157 HD1 PHE 22 HD1 PHE 22 2.270 8.302 1.007 158 HD2 PHE 22 HD2 PHE 22 6.180 7.036 2.287 159 HE1 PHE 22 HE1 PHE 22 1.286 6.334 2.104 160 HE2 PHE 22 HE2 PHE 22 5.177 5.064 3.363 161 HZ PHE 22 HZ PHE 22 2.730 4.729 3.308 162 H LYS 23 H LYS 23 5.793 9.444 -1.806 163 HA LYS 23 HA LYS 23 5.670 6.912 -3.114 164 1HB LYS 23 1HB LYS 23 4.929 9.102 -4.132 165 2HB LYS 23 2HB LYS 23 6.599 9.543 -4.422 166 1HG LYS 23 1HG LYS 23 5.382 8.669 -6.447 167 2HG LYS 23 2HG LYS 23 6.884 7.832 -6.108 168 1HD LYS 23 1HD LYS 23 4.150 6.703 -5.223 169 2HD LYS 23 2HD LYS 23 5.703 5.883 -5.204 170 1HE LYS 23 1HE LYS 23 5.789 6.144 -7.785 171 2HE LYS 23 2HE LYS 23 4.617 4.991 -7.146 172 1HZ LYS 23 1HZ LYS 23 3.852 6.654 -8.913 173 2HZ LYS 23 2HZ LYS 23 2.859 6.457 -7.607 174 3HZ LYS 23 3HZ LYS 23 3.823 7.794 -7.718 175 H ALA 24 H ALA 24 8.460 8.932 -2.371 176 HA ALA 24 HA ALA 24 10.538 7.982 -4.034 177 1HB ALA 24 1HB ALA 24 12.140 8.587 -2.229 178 2HB ALA 24 2HB ALA 24 10.866 9.811 -2.392 179 3HB ALA 24 3HB ALA 24 10.820 8.655 -1.036 180 H ALA 25 H ALA 25 9.496 6.552 -0.927 181 HA ALA 25 HA ALA 25 11.430 4.329 -0.912 182 1HB ALA 25 1HB ALA 25 10.118 3.466 1.018 183 2HB ALA 25 2HB ALA 25 10.441 5.201 1.186 184 3HB ALA 25 3HB ALA 25 8.820 4.642 0.703 185 H PHE 26 H PHE 26 8.117 4.729 -2.049 186 HA PHE 26 HA PHE 26 7.350 1.923 -2.415 187 1HB PHE 26 1HB PHE 26 6.308 4.317 -4.039 188 2HB PHE 26 2HB PHE 26 5.794 3.980 -2.407 189 HD1 PHE 26 HD1 PHE 26 4.490 1.792 -1.939 190 HD2 PHE 26 HD2 PHE 26 5.468 3.023 -5.944 191 HE1 PHE 26 HE1 PHE 26 2.724 0.327 -2.833 192 HE2 PHE 26 HE2 PHE 26 3.715 1.534 -6.820 193 HZ PHE 26 HZ PHE 26 2.318 0.213 -5.268 194 H ASP 27 H ASP 27 9.169 4.248 -4.338 195 HA ASP 27 HA ASP 27 9.103 2.729 -6.898 196 1HB ASP 27 1HB ASP 27 9.484 5.340 -6.504 197 2HB ASP 27 2HB ASP 27 11.167 4.897 -6.338 198 H MET 28 H MET 28 11.188 2.931 -4.090 199 HA MET 28 HA MET 28 13.698 1.911 -4.970 200 1HB MET 28 1HB MET 28 12.601 0.780 -2.367 201 2HB MET 28 2HB MET 28 12.819 2.515 -2.507 202 1HG MET 28 1HG MET 28 14.922 0.337 -2.392 203 2HG MET 28 2HG MET 28 15.300 1.746 -3.396 204 1HE MET 28 1HE MET 28 13.549 2.277 0.823 205 2HE MET 28 2HE MET 28 13.241 0.944 -0.328 206 3HE MET 28 3HE MET 28 14.641 0.857 0.780 207 H PHE 29 H PHE 29 10.679 0.178 -4.371 208 HA PHE 29 HA PHE 29 11.917 -2.532 -5.007 209 1HB PHE 29 1HB PHE 29 9.016 -1.913 -4.153 210 2HB PHE 29 2HB PHE 29 9.710 -3.497 -4.366 211 HD1 PHE 29 HD1 PHE 29 10.935 -4.603 -2.611 212 HD2 PHE 29 HD2 PHE 29 10.002 -0.420 -2.206 213 HE1 PHE 29 HE1 PHE 29 11.704 -4.645 -0.273 214 HE2 PHE 29 HE2 PHE 29 10.754 -0.491 0.136 215 HZ PHE 29 HZ PHE 29 11.613 -2.594 1.102 216 H ASP 30 H ASP 30 9.413 -0.276 -6.141 217 HA ASP 30 HA ASP 30 8.579 -1.965 -8.448 218 1HB ASP 30 1HB ASP 30 7.852 0.987 -8.286 219 2HB ASP 30 2HB ASP 30 7.192 -0.115 -7.099 220 H ALA 31 H ALA 31 8.464 -0.680 -10.649 221 HA ALA 31 HA ALA 31 11.293 -0.125 -11.538 222 1HB ALA 31 1HB ALA 31 10.334 -0.173 -13.843 223 2HB ALA 31 2HB ALA 31 9.882 -1.615 -12.914 224 3HB ALA 31 3HB ALA 31 8.687 -0.321 -13.187 225 H ASP 32 H ASP 32 10.664 1.614 -13.660 226 HA ASP 32 HA ASP 32 10.354 4.282 -12.231 227 1HB ASP 32 1HB ASP 32 11.527 3.617 -14.987 228 2HB ASP 32 2HB ASP 32 11.206 5.254 -14.462 229 H GLY 33 H GLY 33 8.055 3.837 -11.998 230 1HA GLY 33 1HA GLY 33 6.475 4.935 -14.392 231 2HA GLY 33 2HA GLY 33 6.046 5.208 -12.700 232 H GLY 34 H GLY 34 4.774 3.806 -11.643 233 1HA GLY 34 1HA GLY 34 3.405 1.584 -13.179 234 2HA GLY 34 2HA GLY 34 4.358 1.035 -11.797 235 H GLY 35 H GLY 35 3.947 2.233 -9.715 236 1HA GLY 35 1HA GLY 35 2.404 3.234 -8.051 237 2HA GLY 35 2HA GLY 35 1.153 3.307 -9.296 238 H ASP 36 H ASP 36 3.060 0.425 -8.712 239 HA ASP 36 HA ASP 36 1.210 -0.908 -6.824 240 1HB ASP 36 1HB ASP 36 0.297 -2.692 -8.256 241 2HB ASP 36 2HB ASP 36 -0.295 -1.115 -8.723 242 H ILE 37 H ILE 37 1.988 -2.936 -6.170 243 HA ILE 37 HA ILE 37 4.577 -4.052 -7.306 244 HB ILE 37 HB ILE 37 5.727 -4.047 -5.096 245 1HG1 ILE 37 1HG1 ILE 37 4.119 -1.705 -4.044 246 2HG1 ILE 37 2HG1 ILE 37 3.340 -3.267 -3.904 247 1HG2 ILE 37 1HG2 ILE 37 6.617 -1.721 -5.294 248 2HG2 ILE 37 2HG2 ILE 37 6.329 -2.402 -6.901 249 3HG2 ILE 37 3HG2 ILE 37 5.188 -1.214 -6.226 250 1HD1 ILE 37 1HD1 ILE 37 6.073 -2.586 -2.674 251 2HD1 ILE 37 2HD1 ILE 37 4.529 -2.829 -1.829 252 3HD1 ILE 37 3HD1 ILE 37 5.317 -4.202 -2.641 253 H SER 38 H SER 38 5.156 -6.015 -5.813 254 HA SER 38 HA SER 38 2.795 -7.836 -5.718 255 1HB SER 38 1HB SER 38 5.334 -8.342 -6.351 256 2HB SER 38 2HB SER 38 5.513 -8.637 -4.619 257 HG SER 38 HG SER 38 4.354 -10.356 -4.778 258 H THR 39 H THR 39 2.269 -9.111 -3.833 259 HA THR 39 HA THR 39 1.922 -7.449 -1.360 260 HB THR 39 HB THR 39 -0.055 -8.528 -1.747 261 HG1 THR 39 HG1 THR 39 -0.313 -9.926 -0.132 262 1HG2 THR 39 1HG2 THR 39 -0.444 -10.848 -2.451 263 2HG2 THR 39 2HG2 THR 39 0.680 -10.087 -3.600 264 3HG2 THR 39 3HG2 THR 39 1.291 -11.229 -2.374 265 H LYS 40 H LYS 40 3.805 -10.209 -2.459 266 HA LYS 40 HA LYS 40 4.655 -11.372 0.052 267 1HB LYS 40 1HB LYS 40 5.145 -11.964 -2.603 268 2HB LYS 40 2HB LYS 40 6.710 -11.317 -2.162 269 1HG LYS 40 1HG LYS 40 5.544 -13.364 -0.265 270 2HG LYS 40 2HG LYS 40 5.936 -13.949 -1.870 271 1HD LYS 40 1HD LYS 40 7.938 -12.543 0.023 272 2HD LYS 40 2HD LYS 40 7.767 -14.280 -0.171 273 1HE LYS 40 1HE LYS 40 9.707 -13.254 -1.483 274 2HE LYS 40 2HE LYS 40 8.540 -12.422 -2.513 275 1HZ LYS 40 1HZ LYS 40 9.188 -15.276 -2.380 276 2HZ LYS 40 2HZ LYS 40 7.619 -14.898 -2.733 277 3HZ LYS 40 3HZ LYS 40 8.841 -14.334 -3.692 278 H GLU 41 H GLU 41 5.803 -8.581 -1.764 279 HA GLU 41 HA GLU 41 8.127 -8.100 0.130 280 1HB GLU 41 1HB GLU 41 8.583 -6.156 -1.584 281 2HB GLU 41 2HB GLU 41 7.414 -6.965 -2.608 282 1HG GLU 41 1HG GLU 41 10.160 -7.976 -1.696 283 2HG GLU 41 2HG GLU 41 9.566 -7.746 -3.331 284 H LEU 42 H LEU 42 5.020 -6.782 -0.850 285 HA LEU 42 HA LEU 42 4.932 -4.127 -0.088 286 1HB LEU 42 1HB LEU 42 2.848 -4.739 -0.807 287 2HB LEU 42 2HB LEU 42 2.927 -6.330 -0.079 288 HG LEU 42 HG LEU 42 2.366 -3.789 1.568 289 1HD1 LEU 42 1HD1 LEU 42 -0.065 -4.409 1.468 290 2HD1 LEU 42 2HD1 LEU 42 0.563 -4.013 -0.139 291 3HD1 LEU 42 3HD1 LEU 42 0.300 -5.716 0.313 292 1HD2 LEU 42 1HD2 LEU 42 1.873 -6.768 2.239 293 2HD2 LEU 42 2HD2 LEU 42 3.147 -5.736 2.934 294 3HD2 LEU 42 3HD2 LEU 42 1.443 -5.377 3.268 295 H GLY 43 H GLY 43 4.699 -6.883 2.174 296 1HA GLY 43 1HA GLY 43 4.950 -7.017 4.600 297 2HA GLY 43 2HA GLY 43 4.409 -5.337 4.643 298 H THR 44 H THR 44 7.292 -6.896 3.174 299 HA THR 44 HA THR 44 9.360 -6.087 4.876 300 HB THR 44 HB THR 44 9.326 -6.499 1.897 301 HG1 THR 44 HG1 THR 44 9.546 -8.136 3.491 302 1HG2 THR 44 1HG2 THR 44 11.779 -6.072 1.709 303 2HG2 THR 44 2HG2 THR 44 10.890 -4.566 2.019 304 3HG2 THR 44 3HG2 THR 44 11.795 -5.352 3.338 305 H VAL 45 H VAL 45 7.462 -4.149 2.650 306 HA VAL 45 HA VAL 45 9.178 -1.712 2.728 307 HB VAL 45 HB VAL 45 7.301 -2.596 0.932 308 1HG1 VAL 45 1HG1 VAL 45 5.399 -0.983 0.854 309 2HG1 VAL 45 2HG1 VAL 45 5.325 -1.948 2.334 310 3HG1 VAL 45 3HG1 VAL 45 5.904 -0.268 2.407 311 1HG2 VAL 45 1HG2 VAL 45 8.213 0.343 1.231 312 2HG2 VAL 45 2HG2 VAL 45 9.107 -0.943 0.387 313 3HG2 VAL 45 3HG2 VAL 45 7.545 -0.402 -0.245 314 H MET 46 H MET 46 6.153 -2.838 4.226 315 HA MET 46 HA MET 46 5.421 -0.537 5.821 316 1HB MET 46 1HB MET 46 4.878 -3.490 6.012 317 2HB MET 46 2HB MET 46 4.729 -2.604 7.518 318 1HG MET 46 1HG MET 46 2.944 -2.561 5.123 319 2HG MET 46 2HG MET 46 3.300 -0.942 5.747 320 1HE MET 46 1HE MET 46 3.775 -0.885 8.528 321 2HE MET 46 2HE MET 46 2.222 -0.030 8.295 322 3HE MET 46 3HE MET 46 2.374 -1.264 9.580 323 NH1 ARG 47 NH1 ARG 47 10.887 -7.260 11.747 324 NH2 ARG 47 NH2 ARG 47 12.515 -6.027 12.743 325 H ARG 47 H ARG 47 7.966 -2.929 6.220 326 HA ARG 47 HA ARG 47 8.636 -2.156 9.062 327 1HB ARG 47 1HB ARG 47 8.802 -4.541 8.367 328 2HB ARG 47 2HB ARG 47 9.974 -4.126 7.124 329 1HG ARG 47 1HG ARG 47 10.540 -3.522 10.080 330 2HG ARG 47 2HG ARG 47 11.690 -3.522 8.741 331 1HD ARG 47 1HD ARG 47 11.504 -5.979 8.466 332 2HD ARG 47 2HD ARG 47 10.177 -6.067 9.623 333 HE ARG 47 HE ARG 47 13.023 -5.279 10.437 334 1HH1 ARG 47 1HH1 ARG 47 10.733 -7.663 12.678 335 2HH1 ARG 47 2HH1 ARG 47 10.394 -7.505 10.882 336 1HH2 ARG 47 1HH2 ARG 47 13.264 -5.333 12.637 337 2HH2 ARG 47 2HH2 ARG 47 12.246 -6.514 13.604 338 H MET 48 H MET 48 9.923 -1.748 5.788 339 HA MET 48 HA MET 48 12.506 -0.511 6.656 340 1HB MET 48 1HB MET 48 11.743 -1.795 4.330 341 2HB MET 48 2HB MET 48 11.624 -0.124 3.806 342 1HG MET 48 1HG MET 48 14.105 0.037 4.954 343 2HG MET 48 2HG MET 48 13.852 -0.458 3.273 344 1HE MET 48 1HE MET 48 16.644 -1.517 4.804 345 2HE MET 48 2HE MET 48 15.683 -1.051 6.239 346 3HE MET 48 3HE MET 48 16.303 -2.721 6.087 347 H LEU 49 H LEU 49 9.412 0.660 6.738 348 HA LEU 49 HA LEU 49 10.051 3.528 5.990 349 1HB LEU 49 1HB LEU 49 7.618 3.797 7.105 350 2HB LEU 49 2HB LEU 49 7.529 2.064 6.873 351 HG LEU 49 HG LEU 49 7.567 2.221 4.488 352 1HD1 LEU 49 1HD1 LEU 49 8.446 5.175 4.640 353 2HD1 LEU 49 2HD1 LEU 49 9.550 3.821 4.334 354 3HD1 LEU 49 3HD1 LEU 49 8.255 4.190 3.168 355 1HD2 LEU 49 1HD2 LEU 49 5.708 3.722 3.905 356 2HD2 LEU 49 2HD2 LEU 49 5.411 3.131 5.559 357 3HD2 LEU 49 3HD2 LEU 49 6.032 4.769 5.310 358 H GLY 50 H GLY 50 9.603 1.410 8.775 359 1HA GLY 50 1HA GLY 50 11.401 2.079 10.657 360 2HA GLY 50 2HA GLY 50 10.551 3.628 10.665 361 H GLN 51 H GLN 51 9.598 0.186 10.669 362 HA GLN 51 HA GLN 51 8.007 0.580 13.259 363 1HB GLN 51 1HB GLN 51 6.851 0.061 10.594 364 2HB GLN 51 2HB GLN 51 6.501 -1.264 11.690 365 1HG GLN 51 1HG GLN 51 4.721 -0.031 12.363 366 2HG GLN 51 2HG GLN 51 5.862 0.861 13.347 367 1HE2 GLN 51 1HE2 GLN 51 4.515 3.753 11.668 368 2HE2 GLN 51 2HE2 GLN 51 4.442 2.702 13.170 369 H ASN 52 H ASN 52 7.180 -1.766 13.858 370 HA ASN 52 HA ASN 52 9.568 -3.653 13.659 371 1HB ASN 52 1HB ASN 52 9.400 -4.166 16.045 372 2HB ASN 52 2HB ASN 52 7.965 -3.183 16.238 373 1HD2 ASN 52 1HD2 ASN 52 11.390 -1.450 17.106 374 2HD2 ASN 52 2HD2 ASN 52 10.831 -3.182 17.336 375 HA PRO 53 HA PRO 53 5.246 -5.872 13.034 376 1HB PRO 53 1HB PRO 53 5.324 -6.532 10.363 377 2HB PRO 53 2HB PRO 53 4.786 -4.959 10.971 378 1HG PRO 53 1HG PRO 53 6.466 -4.223 9.498 379 2HG PRO 53 2HG PRO 53 7.523 -5.630 9.758 380 1HD PRO 53 1HD PRO 53 8.612 -4.163 11.283 381 2HD PRO 53 2HD PRO 53 7.170 -3.112 11.426 382 H THR 54 H THR 54 5.037 -8.200 11.972 383 HA THR 54 HA THR 54 7.625 -9.805 12.221 384 HB THR 54 HB THR 54 6.664 -11.545 13.521 385 HG1 THR 54 HG1 THR 54 4.621 -11.802 13.860 386 1HG2 THR 54 1HG2 THR 54 6.033 -10.481 15.663 387 2HG2 THR 54 2HG2 THR 54 7.374 -9.581 14.919 388 3HG2 THR 54 3HG2 THR 54 5.717 -8.930 14.851 389 H LYS 55 H LYS 55 7.173 -12.115 11.389 390 HA LYS 55 HA LYS 55 6.156 -12.052 8.600 391 1HB LYS 55 1HB LYS 55 6.869 -14.316 8.396 392 2HB LYS 55 2HB LYS 55 6.703 -14.656 10.105 393 1HG LYS 55 1HG LYS 55 8.706 -13.251 10.613 394 2HG LYS 55 2HG LYS 55 8.832 -12.762 8.935 395 1HD LYS 55 1HD LYS 55 10.520 -14.492 9.374 396 2HD LYS 55 2HD LYS 55 9.329 -15.544 10.122 397 1HE LYS 55 1HE LYS 55 8.176 -15.912 7.933 398 2HE LYS 55 2HE LYS 55 9.293 -14.814 7.121 399 1HZ LYS 55 1HZ LYS 55 10.412 -17.094 8.625 400 2HZ LYS 55 2HZ LYS 55 9.716 -17.378 7.154 401 3HZ LYS 55 3HZ LYS 55 10.999 -16.344 7.275 402 H GLU 56 H GLU 56 4.903 -12.974 11.750 403 HA GLU 56 HA GLU 56 2.702 -14.728 10.949 404 1HB GLU 56 1HB GLU 56 3.786 -13.960 13.380 405 2HB GLU 56 2HB GLU 56 2.391 -14.992 13.138 406 1HG GLU 56 1HG GLU 56 2.449 -12.026 13.907 407 2HG GLU 56 2HG GLU 56 1.004 -12.693 13.166 408 H GLU 57 H GLU 57 2.805 -11.242 11.737 409 HA GLU 57 HA GLU 57 -0.044 -10.683 11.170 410 1HB GLU 57 1HB GLU 57 0.838 -9.077 12.576 411 2HB GLU 57 2HB GLU 57 0.753 -8.226 11.045 412 1HG GLU 57 1HG GLU 57 3.369 -9.043 10.880 413 2HG GLU 57 2HG GLU 57 3.196 -9.068 12.630 414 H LEU 58 H LEU 58 2.927 -10.756 9.287 415 HA LEU 58 HA LEU 58 2.110 -9.441 6.838 416 1HB LEU 58 1HB LEU 58 4.457 -10.419 7.551 417 2HB LEU 58 2HB LEU 58 3.902 -11.924 6.850 418 HG LEU 58 HG LEU 58 3.839 -9.347 5.188 419 1HD1 LEU 58 1HD1 LEU 58 4.235 -12.271 4.290 420 2HD1 LEU 58 2HD1 LEU 58 2.656 -11.474 4.349 421 3HD1 LEU 58 3HD1 LEU 58 3.918 -10.856 3.255 422 1HD2 LEU 58 1HD2 LEU 58 6.127 -9.776 4.359 423 2HD2 LEU 58 2HD2 LEU 58 6.196 -9.631 6.133 424 3HD2 LEU 58 3HD2 LEU 58 6.277 -11.232 5.375 425 H ASP 59 H ASP 59 1.548 -12.693 8.079 426 HA ASP 59 HA ASP 59 0.453 -13.914 5.649 427 1HB ASP 59 1HB ASP 59 0.476 -14.717 8.569 428 2HB ASP 59 2HB ASP 59 -0.720 -15.474 7.541 429 H ALA 60 H ALA 60 -0.977 -12.151 8.364 430 HA ALA 60 HA ALA 60 -3.828 -12.626 7.759 431 1HB ALA 60 1HB ALA 60 -4.263 -10.754 9.343 432 2HB ALA 60 2HB ALA 60 -3.090 -11.907 10.010 433 3HB ALA 60 3HB ALA 60 -2.533 -10.337 9.375 434 H ILE 61 H ILE 61 -1.458 -10.139 6.855 435 HA ILE 61 HA ILE 61 -3.029 -8.160 5.595 436 HB ILE 61 HB ILE 61 -0.231 -9.128 4.896 437 1HG1 ILE 61 1HG1 ILE 61 -1.089 -6.374 5.985 438 2HG1 ILE 61 2HG1 ILE 61 -0.762 -7.723 7.051 439 1HG2 ILE 61 1HG2 ILE 61 0.041 -7.196 3.320 440 2HG2 ILE 61 2HG2 ILE 61 -1.202 -8.302 2.740 441 3HG2 ILE 61 3HG2 ILE 61 -1.678 -6.772 3.514 442 1HD1 ILE 61 1HD1 ILE 61 1.322 -6.469 5.170 443 2HD1 ILE 61 2HD1 ILE 61 1.239 -6.346 6.940 444 3HD1 ILE 61 3HD1 ILE 61 1.599 -7.914 6.181 445 H ILE 62 H ILE 62 -2.072 -11.365 4.492 446 HA ILE 62 HA ILE 62 -2.937 -11.118 1.665 447 HB ILE 62 HB ILE 62 -1.932 -13.351 3.399 448 1HG1 ILE 62 1HG1 ILE 62 -0.593 -11.852 1.630 449 2HG1 ILE 62 2HG1 ILE 62 -1.312 -12.901 0.426 450 1HG2 ILE 62 1HG2 ILE 62 -2.599 -15.154 1.789 451 2HG2 ILE 62 2HG2 ILE 62 -4.028 -14.411 2.504 452 3HG2 ILE 62 3HG2 ILE 62 -3.554 -13.985 0.844 453 1HD1 ILE 62 1HD1 ILE 62 -0.243 -14.926 1.373 454 2HD1 ILE 62 2HD1 ILE 62 0.969 -13.668 1.053 455 3HD1 ILE 62 3HD1 ILE 62 0.431 -13.969 2.721 456 H GLU 63 H GLU 63 -4.359 -12.385 4.663 457 HA GLU 63 HA GLU 63 -6.811 -13.493 3.552 458 1HB GLU 63 1HB GLU 63 -5.874 -13.961 5.859 459 2HB GLU 63 2HB GLU 63 -6.462 -12.399 6.392 460 1HG GLU 63 1HG GLU 63 -8.462 -14.345 5.137 461 2HG GLU 63 2HG GLU 63 -8.755 -13.062 6.299 462 H GLU 64 H GLU 64 -5.886 -10.223 4.417 463 HA GLU 64 HA GLU 64 -8.696 -9.144 4.355 464 1HB GLU 64 1HB GLU 64 -6.855 -8.394 5.994 465 2HB GLU 64 2HB GLU 64 -6.123 -7.518 4.664 466 1HG GLU 64 1HG GLU 64 -7.922 -5.932 4.528 467 2HG GLU 64 2HG GLU 64 -9.065 -6.994 5.334 468 H VAL 65 H VAL 65 -5.840 -9.270 2.317 469 HA VAL 65 HA VAL 65 -6.764 -7.150 0.398 470 HB VAL 65 HB VAL 65 -4.249 -8.756 0.715 471 1HG1 VAL 65 1HG1 VAL 65 -4.638 -5.813 -0.129 472 2HG1 VAL 65 2HG1 VAL 65 -4.561 -6.350 1.559 473 3HG1 VAL 65 3HG1 VAL 65 -3.154 -6.578 0.492 474 1HG2 VAL 65 1HG2 VAL 65 -3.377 -8.369 -1.538 475 2HG2 VAL 65 2HG2 VAL 65 -4.939 -9.200 -1.739 476 3HG2 VAL 65 3HG2 VAL 65 -4.827 -7.458 -2.027 477 H ASP 66 H ASP 66 -5.759 -10.559 -0.116 478 HA ASP 66 HA ASP 66 -7.754 -10.871 -2.362 479 1HB ASP 66 1HB ASP 66 -5.318 -11.682 -2.539 480 2HB ASP 66 2HB ASP 66 -5.717 -12.954 -1.408 481 H GLU 67 H GLU 67 -9.303 -10.487 -0.426 482 HA GLU 67 HA GLU 67 -10.144 -12.985 1.043 483 1HB GLU 67 1HB GLU 67 -12.137 -11.508 1.754 484 2HB GLU 67 2HB GLU 67 -10.546 -11.149 2.395 485 1HG GLU 67 1HG GLU 67 -10.289 -9.200 0.892 486 2HG GLU 67 2HG GLU 67 -11.728 -9.635 -0.016 487 H ASP 68 H ASP 68 -11.067 -11.016 -1.737 488 HA ASP 68 HA ASP 68 -13.103 -13.125 -2.614 489 1HB ASP 68 1HB ASP 68 -14.103 -11.455 -4.118 490 2HB ASP 68 2HB ASP 68 -14.138 -10.928 -2.451 491 H GLY 69 H GLY 69 -10.545 -10.958 -3.881 492 1HA GLY 69 1HA GLY 69 -8.835 -12.739 -5.235 493 2HA GLY 69 2HA GLY 69 -10.174 -12.611 -6.381 494 H SER 70 H SER 70 -7.447 -11.038 -4.989 495 HA SER 70 HA SER 70 -7.681 -8.726 -6.992 496 1HB SER 70 1HB SER 70 -6.813 -7.129 -5.451 497 2HB SER 70 2HB SER 70 -6.310 -8.357 -4.286 498 HG SER 70 HG SER 70 -8.958 -7.667 -5.035 499 H GLY 71 H GLY 71 -5.182 -9.839 -4.690 500 1HA GLY 71 1HA GLY 71 -2.969 -10.798 -5.030 501 2HA GLY 71 2HA GLY 71 -3.443 -11.161 -6.691 502 H THR 72 H THR 72 -3.769 -7.918 -5.450 503 HA THR 72 HA THR 72 -1.113 -6.949 -6.386 504 HB THR 72 HB THR 72 -2.401 -5.137 -7.904 505 HG1 THR 72 HG1 THR 72 -4.030 -5.999 -8.980 506 1HG2 THR 72 1HG2 THR 72 -1.918 -7.675 -9.459 507 2HG2 THR 72 2HG2 THR 72 -1.364 -6.018 -9.783 508 3HG2 THR 72 3HG2 THR 72 -0.519 -7.024 -8.577 509 H ILE 73 H ILE 73 -0.766 -4.723 -5.818 510 HA ILE 73 HA ILE 73 -2.777 -3.455 -3.976 511 HB ILE 73 HB ILE 73 -1.210 -5.038 -2.646 512 1HG1 ILE 73 1HG1 ILE 73 -2.846 -3.039 -1.892 513 2HG1 ILE 73 2HG1 ILE 73 -1.894 -3.976 -0.755 514 1HG2 ILE 73 1HG2 ILE 73 0.907 -4.140 -1.752 515 2HG2 ILE 73 2HG2 ILE 73 1.020 -4.221 -3.516 516 3HG2 ILE 73 3HG2 ILE 73 0.750 -2.654 -2.716 517 1HD1 ILE 73 1HD1 ILE 73 -0.588 -1.436 -1.814 518 2HD1 ILE 73 2HD1 ILE 73 -1.917 -1.294 -0.643 519 3HD1 ILE 73 3HD1 ILE 73 -0.455 -2.213 -0.212 520 H ASP 74 H ASP 74 -2.728 -1.288 -4.000 521 HA ASP 74 HA ASP 74 -0.686 0.091 -5.812 522 1HB ASP 74 1HB ASP 74 -2.606 1.980 -5.696 523 2HB ASP 74 2HB ASP 74 -2.584 0.698 -6.886 524 H PHE 75 H PHE 75 -0.528 2.523 -5.201 525 HA PHE 75 HA PHE 75 0.715 2.681 -2.496 526 1HB PHE 75 1HB PHE 75 0.443 4.700 -4.785 527 2HB PHE 75 2HB PHE 75 1.856 3.780 -4.340 528 HD1 PHE 75 HD1 PHE 75 3.421 4.674 -2.682 529 HD2 PHE 75 HD2 PHE 75 -0.468 6.480 -3.052 530 HE1 PHE 75 HE1 PHE 75 4.227 6.678 -1.502 531 HE2 PHE 75 HE2 PHE 75 0.362 8.480 -1.878 532 HZ PHE 75 HZ PHE 75 2.710 8.592 -1.122 533 H GLU 76 H GLU 76 -2.343 3.506 -3.958 534 HA GLU 76 HA GLU 76 -3.384 5.432 -2.004 535 1HB GLU 76 1HB GLU 76 -4.843 3.475 -3.848 536 2HB GLU 76 2HB GLU 76 -5.683 4.587 -2.786 537 1HG GLU 76 1HG GLU 76 -4.103 6.426 -4.054 538 2HG GLU 76 2HG GLU 76 -4.063 5.183 -5.293 539 H GLU 77 H GLU 77 -4.298 2.000 -2.367 540 HA GLU 77 HA GLU 77 -5.389 1.514 0.261 541 1HB GLU 77 1HB GLU 77 -4.590 -0.964 -0.169 542 2HB GLU 77 2HB GLU 77 -4.109 -0.380 -1.749 543 1HG GLU 77 1HG GLU 77 -6.979 -0.147 -0.632 544 2HG GLU 77 2HG GLU 77 -6.472 0.325 -2.245 545 H PHE 78 H PHE 78 -2.070 1.575 -0.897 546 HA PHE 78 HA PHE 78 -0.656 0.358 1.311 547 1HB PHE 78 1HB PHE 78 0.507 0.818 -0.770 548 2HB PHE 78 2HB PHE 78 0.204 2.533 -0.674 549 HD1 PHE 78 HD1 PHE 78 1.724 -0.035 1.717 550 HD2 PHE 78 HD2 PHE 78 2.130 3.815 -0.162 551 HE1 PHE 78 HE1 PHE 78 3.978 0.207 2.675 552 HE2 PHE 78 HE2 PHE 78 4.406 4.013 0.758 553 HZ PHE 78 HZ PHE 78 5.323 2.225 2.196 554 H LEU 79 H LEU 79 -1.632 3.739 0.757 555 HA LEU 79 HA LEU 79 -0.588 4.937 3.204 556 1HB LEU 79 1HB LEU 79 -2.978 5.777 1.461 557 2HB LEU 79 2HB LEU 79 -2.405 6.720 2.820 558 HG LEU 79 HG LEU 79 -0.324 6.010 0.731 559 1HD1 LEU 79 1HD1 LEU 79 -1.048 7.842 -0.805 560 2HD1 LEU 79 2HD1 LEU 79 -2.290 6.580 -0.711 561 3HD1 LEU 79 3HD1 LEU 79 -2.518 8.113 0.166 562 1HD2 LEU 79 1HD2 LEU 79 -0.936 8.612 2.286 563 2HD2 LEU 79 2HD2 LEU 79 0.335 7.428 2.679 564 3HD2 LEU 79 3HD2 LEU 79 0.439 8.364 1.181 565 H VAL 80 H VAL 80 -3.610 3.273 2.429 566 HA VAL 80 HA VAL 80 -5.184 3.950 4.775 567 HB VAL 80 HB VAL 80 -5.355 1.566 2.883 568 1HG1 VAL 80 1HG1 VAL 80 -7.531 0.924 3.940 569 2HG1 VAL 80 2HG1 VAL 80 -6.195 0.718 5.081 570 3HG1 VAL 80 3HG1 VAL 80 -7.277 2.121 5.236 571 1HG2 VAL 80 1HG2 VAL 80 -7.285 3.939 3.314 572 2HG2 VAL 80 2HG2 VAL 80 -6.147 3.776 1.956 573 3HG2 VAL 80 3HG2 VAL 80 -7.478 2.622 2.131 574 H MET 81 H MET 81 -2.827 1.381 4.133 575 HA MET 81 HA MET 81 -3.239 -0.197 6.587 576 1HB MET 81 1HB MET 81 -0.714 -0.099 4.833 577 2HB MET 81 2HB MET 81 -1.082 -1.309 6.048 578 1HG MET 81 1HG MET 81 -2.898 -0.859 3.598 579 2HG MET 81 2HG MET 81 -1.530 -1.984 3.600 580 1HE MET 81 1HE MET 81 -5.677 -2.889 4.608 581 2HE MET 81 2HE MET 81 -5.279 -1.510 5.676 582 3HE MET 81 3HE MET 81 -4.964 -1.396 3.920 583 H MET 82 H MET 82 -0.808 2.242 5.637 584 HA MET 82 HA MET 82 0.865 2.237 7.973 585 1HB MET 82 1HB MET 82 0.305 4.290 5.826 586 2HB MET 82 2HB MET 82 1.050 4.882 7.301 587 1HG MET 82 1HG MET 82 2.642 4.161 5.369 588 2HG MET 82 2HG MET 82 2.233 2.487 5.776 589 1HE MET 82 1HE MET 82 4.221 5.736 6.819 590 2HE MET 82 2HE MET 82 2.824 5.830 7.931 591 3HE MET 82 3HE MET 82 4.458 5.505 8.580 592 H VAL 83 H VAL 83 -1.717 4.616 7.264 593 HA VAL 83 HA VAL 83 -1.933 5.928 9.780 594 HB VAL 83 HB VAL 83 -4.338 5.313 7.988 595 1HG1 VAL 83 1HG1 VAL 83 -5.301 7.428 8.911 596 2HG1 VAL 83 2HG1 VAL 83 -5.020 6.255 10.205 597 3HG1 VAL 83 3HG1 VAL 83 -3.899 7.620 9.995 598 1HG2 VAL 83 1HG2 VAL 83 -2.397 7.711 7.795 599 2HG2 VAL 83 2HG2 VAL 83 -2.551 6.402 6.601 600 3HG2 VAL 83 3HG2 VAL 83 -3.906 7.509 6.867 601 NH1 ARG 84 NH1 ARG 84 -8.818 -1.156 9.509 602 NH2 ARG 84 NH2 ARG 84 -9.215 -0.365 7.417 603 H ARG 84 H ARG 84 -3.234 2.807 8.757 604 HA ARG 84 HA ARG 84 -5.076 2.115 10.888 605 1HB ARG 84 1HB ARG 84 -3.206 -0.038 9.841 606 2HB ARG 84 2HB ARG 84 -4.231 0.795 8.681 607 1HG ARG 84 1HG ARG 84 -5.032 -1.092 10.897 608 2HG ARG 84 2HG ARG 84 -6.141 0.246 10.593 609 1HD ARG 84 1HD ARG 84 -5.135 -1.306 8.167 610 2HD ARG 84 2HD ARG 84 -6.302 -2.107 9.217 611 HE ARG 84 HE ARG 84 -6.836 0.469 7.677 612 1HH1 ARG 84 1HH1 ARG 84 -10.202 -0.567 7.614 613 2HH1 ARG 84 2HH1 ARG 84 -8.828 0.017 6.547 614 1HH2 ARG 84 1HH2 ARG 84 -8.125 -1.448 10.207 615 2HH2 ARG 84 2HH2 ARG 84 -9.840 -1.224 9.591 616 H GLN 85 H GLN 85 -1.558 1.453 10.662 617 HA GLN 85 HA GLN 85 -1.287 0.171 13.293 618 1HB GLN 85 1HB GLN 85 1.161 1.534 12.218 619 2HB GLN 85 2HB GLN 85 0.361 0.468 11.076 620 1HG GLN 85 1HG GLN 85 1.188 -0.427 13.901 621 2HG GLN 85 2HG GLN 85 2.222 -0.593 12.498 622 1HE2 GLN 85 1HE2 GLN 85 0.022 -3.730 13.163 623 2HE2 GLN 85 2HE2 GLN 85 0.863 -2.585 14.324 624 H MET 86 H MET 86 -0.578 3.466 12.129 625 HA MET 86 HA MET 86 0.661 4.651 14.413 626 1HB MET 86 1HB MET 86 -1.319 6.398 12.937 627 2HB MET 86 2HB MET 86 -0.070 5.632 11.972 628 1HG MET 86 1HG MET 86 1.087 7.570 12.504 629 2HG MET 86 2HG MET 86 1.558 6.630 13.928 630 1HE MET 86 1HE MET 86 1.259 9.190 16.258 631 2HE MET 86 2HE MET 86 0.368 7.734 16.790 632 3HE MET 86 3HE MET 86 1.821 7.562 15.763 633 H LYS 87 H LYS 87 -2.776 4.136 13.734 634 HA LYS 87 HA LYS 87 -3.883 5.576 16.078 635 1HB LYS 87 1HB LYS 87 -4.967 3.932 13.871 636 2HB LYS 87 2HB LYS 87 -5.743 3.517 15.384 637 1HG LYS 87 1HG LYS 87 -6.463 5.856 15.734 638 2HG LYS 87 2HG LYS 87 -5.504 6.415 14.378 639 1HD LYS 87 1HD LYS 87 -6.988 5.300 12.747 640 2HD LYS 87 2HD LYS 87 -7.789 4.399 14.023 641 1HE LYS 87 1HE LYS 87 -9.165 6.156 14.667 642 2HE LYS 87 2HE LYS 87 -7.964 7.404 14.328 643 1HZ LYS 87 1HZ LYS 87 -8.578 7.472 12.113 644 2HZ LYS 87 2HZ LYS 87 -9.139 5.919 12.061 645 3HZ LYS 87 3HZ LYS 87 -10.034 7.096 12.797 646 H GLU 88 H GLU 88 -3.500 2.081 15.352 647 HA GLU 88 HA GLU 88 -3.222 0.159 16.766 648 1HB GLU 88 1HB GLU 88 -1.225 2.074 17.493 649 2HB GLU 88 2HB GLU 88 -1.833 1.431 19.005 650 1HG GLU 88 1HG GLU 88 -1.432 -0.960 17.969 651 2HG GLU 88 2HG GLU 88 -0.546 -0.140 16.695 652 H ASP 89 H ASP 89 -5.537 0.288 17.059 653 HA ASP 89 HA ASP 89 -6.512 1.354 19.755 654 1HB ASP 89 1HB ASP 89 -7.671 2.110 17.553 655 2HB ASP 89 2HB ASP 89 -8.325 0.492 17.443 656 H ALA 90 H ALA 90 -5.857 -0.264 21.066 657 HA ALA 90 HA ALA 90 -5.923 -2.367 22.249 658 1HB ALA 90 1HB ALA 90 -8.515 -1.682 21.993 659 2HB ALA 90 2HB ALA 90 -8.567 -3.061 20.878 660 3HB ALA 90 3HB ALA 90 -8.083 -3.310 22.573 Start of MODEL 10 Raw file had 660 H/Q atoms Start of MODEL 10 1 1H ALA 1 1H ALA 1 -23.707 7.580 7.493 2 2H ALA 1 2H ALA 1 -22.078 7.327 7.826 3 3H ALA 1 3H ALA 1 -22.716 6.856 6.343 4 HA ALA 1 HA ALA 1 -23.755 5.779 8.874 5 1HB ALA 1 1HB ALA 1 -23.975 3.793 6.934 6 2HB ALA 1 2HB ALA 1 -25.251 4.963 7.321 7 3HB ALA 1 3HB ALA 1 -24.165 5.256 5.938 8 H SER 2 H SER 2 -21.780 4.566 6.151 9 HA SER 2 HA SER 2 -19.346 3.990 7.799 10 1HB SER 2 1HB SER 2 -19.599 1.409 7.352 11 2HB SER 2 2HB SER 2 -20.399 2.145 8.742 12 HG SER 2 HG SER 2 -22.308 2.137 7.661 13 H MET 3 H MET 3 -17.639 3.160 6.534 14 HA MET 3 HA MET 3 -16.267 2.898 4.569 15 1HB MET 3 1HB MET 3 -18.751 1.992 3.037 16 2HB MET 3 2HB MET 3 -18.088 0.992 4.317 17 1HG MET 3 1HG MET 3 -15.763 1.418 2.901 18 2HG MET 3 2HG MET 3 -16.937 1.601 1.589 19 1HE MET 3 1HE MET 3 -18.711 -1.326 0.939 20 2HE MET 3 2HE MET 3 -17.885 0.166 0.400 21 3HE MET 3 3HE MET 3 -17.073 -1.416 0.218 22 H THR 4 H THR 4 -16.581 5.351 4.972 23 HA THR 4 HA THR 4 -17.849 6.854 2.691 24 HB THR 4 HB THR 4 -16.650 8.874 3.799 25 HG1 THR 4 HG1 THR 4 -15.552 7.036 5.171 26 1HG2 THR 4 1HG2 THR 4 -18.371 9.188 5.537 27 2HG2 THR 4 2HG2 THR 4 -19.138 8.532 4.074 28 3HG2 THR 4 3HG2 THR 4 -18.837 7.475 5.477 29 H ASP 5 H ASP 5 -15.443 4.858 2.556 30 HA ASP 5 HA ASP 5 -13.773 4.597 0.811 31 1HB ASP 5 1HB ASP 5 -13.558 7.596 0.344 32 2HB ASP 5 2HB ASP 5 -13.177 6.272 -0.733 33 H GLN 6 H GLN 6 -13.086 4.203 3.168 34 HA GLN 6 HA GLN 6 -11.501 5.850 4.847 35 1HB GLN 6 1HB GLN 6 -10.489 3.023 4.370 36 2HB GLN 6 2HB GLN 6 -10.617 3.938 5.861 37 1HG GLN 6 1HG GLN 6 -13.322 3.685 5.057 38 2HG GLN 6 2HG GLN 6 -12.624 2.156 4.564 39 1HE2 GLN 6 1HE2 GLN 6 -13.367 1.165 7.958 40 2HE2 GLN 6 2HE2 GLN 6 -13.912 1.126 6.207 41 H GLN 7 H GLN 7 -10.553 4.203 1.859 42 HA GLN 7 HA GLN 7 -7.723 4.532 1.744 43 1HB GLN 7 1HB GLN 7 -9.660 4.946 -0.612 44 2HB GLN 7 2HB GLN 7 -7.925 4.722 -0.747 45 1HG GLN 7 1HG GLN 7 -8.391 2.520 -1.029 46 2HG GLN 7 2HG GLN 7 -8.551 2.454 0.714 47 1HE2 GLN 7 1HE2 GLN 7 -11.714 0.922 -0.386 48 2HE2 GLN 7 2HE2 GLN 7 -9.938 0.560 -0.096 49 H ALA 8 H ALA 8 -10.138 6.872 0.487 50 HA ALA 8 HA ALA 8 -8.244 9.020 -0.096 51 1HB ALA 8 1HB ALA 8 -10.531 10.430 0.009 52 2HB ALA 8 2HB ALA 8 -10.193 9.298 -1.315 53 3HB ALA 8 3HB ALA 8 -11.271 8.812 0.019 54 H GLU 9 H GLU 9 -10.161 8.172 2.739 55 HA GLU 9 HA GLU 9 -10.060 10.620 4.310 56 1HB GLU 9 1HB GLU 9 -11.254 8.231 4.729 57 2HB GLU 9 2HB GLU 9 -9.857 7.974 5.756 58 1HG GLU 9 1HG GLU 9 -11.234 8.913 7.355 59 2HG GLU 9 2HG GLU 9 -10.566 10.416 6.743 60 H ALA 10 H ALA 10 -7.729 8.039 3.743 61 HA ALA 10 HA ALA 10 -5.827 8.541 5.880 62 1HB ALA 10 1HB ALA 10 -4.209 7.230 4.515 63 2HB ALA 10 2HB ALA 10 -5.802 6.451 4.556 64 3HB ALA 10 3HB ALA 10 -5.279 7.329 3.096 65 NH1 ARG 11 NH1 ARG 11 -7.395 13.448 -0.719 66 NH2 ARG 11 NH2 ARG 11 -7.165 12.078 -2.516 67 H ARG 11 H ARG 11 -5.778 9.602 2.462 68 HA ARG 11 HA ARG 11 -3.288 11.059 2.371 69 1HB ARG 11 1HB ARG 11 -5.797 11.954 0.842 70 2HB ARG 11 2HB ARG 11 -4.913 10.492 0.426 71 1HG ARG 11 1HG ARG 11 -2.928 12.590 0.652 72 2HG ARG 11 2HG ARG 11 -3.395 11.659 -0.773 73 1HD ARG 11 1HD ARG 11 -3.644 14.262 -0.914 74 2HD ARG 11 2HD ARG 11 -5.026 14.104 0.168 75 HE ARG 11 HE ARG 11 -4.927 13.187 -2.702 76 1HH1 ARG 11 1HH1 ARG 11 -8.379 13.156 -0.722 77 2HH1 ARG 11 2HH1 ARG 11 -6.950 14.101 -0.064 78 1HH2 ARG 11 1HH2 ARG 11 -6.563 11.737 -3.274 79 2HH2 ARG 11 2HH2 ARG 11 -8.144 11.822 -2.347 80 H ALA 12 H ALA 12 -6.575 12.250 3.107 81 HA ALA 12 HA ALA 12 -6.149 15.026 3.516 82 1HB ALA 12 1HB ALA 12 -8.102 15.021 5.055 83 2HB ALA 12 2HB ALA 12 -8.400 13.999 3.634 84 3HB ALA 12 3HB ALA 12 -8.020 13.248 5.204 85 H PHE 13 H PHE 13 -6.140 12.608 6.166 86 HA PHE 13 HA PHE 13 -5.158 14.230 8.323 87 1HB PHE 13 1HB PHE 13 -5.842 12.216 9.162 88 2HB PHE 13 2HB PHE 13 -5.332 11.300 7.769 89 HD1 PHE 13 HD1 PHE 13 -2.521 11.245 7.549 90 HD2 PHE 13 HD2 PHE 13 -4.749 11.765 11.196 91 HE1 PHE 13 HE1 PHE 13 -0.654 10.293 8.840 92 HE2 PHE 13 HE2 PHE 13 -2.929 10.681 12.447 93 HZ PHE 13 HZ PHE 13 -0.881 9.946 11.276 94 H LEU 14 H LEU 14 -3.463 12.573 5.713 95 HA LEU 14 HA LEU 14 -0.702 13.065 6.748 96 1HB LEU 14 1HB LEU 14 -1.429 12.225 3.889 97 2HB LEU 14 2HB LEU 14 0.100 12.005 4.714 98 HG LEU 14 HG LEU 14 -2.307 10.664 5.985 99 1HD1 LEU 14 1HD1 LEU 14 0.552 9.627 5.469 100 2HD1 LEU 14 2HD1 LEU 14 0.052 10.481 6.940 101 3HD1 LEU 14 3HD1 LEU 14 -0.672 8.902 6.543 102 1HD2 LEU 14 1HD2 LEU 14 -2.331 8.763 4.425 103 2HD2 LEU 14 2HD2 LEU 14 -2.585 10.241 3.464 104 3HD2 LEU 14 3HD2 LEU 14 -0.999 9.456 3.465 105 H SER 15 H SER 15 0.780 14.511 5.949 106 HA SER 15 HA SER 15 -0.237 17.088 4.793 107 1HB SER 15 1HB SER 15 1.714 18.068 5.540 108 2HB SER 15 2HB SER 15 1.607 16.710 6.663 109 HG SER 15 HG SER 15 3.649 17.136 5.505 110 H GLU 16 H GLU 16 0.706 18.071 2.916 111 HA GLU 16 HA GLU 16 0.668 16.336 0.537 112 1HB GLU 16 1HB GLU 16 0.129 18.982 0.929 113 2HB GLU 16 2HB GLU 16 1.746 19.136 0.271 114 1HG GLU 16 1HG GLU 16 0.334 19.316 -1.636 115 2HG GLU 16 2HG GLU 16 0.947 17.674 -1.738 116 H GLU 17 H GLU 17 3.176 17.858 2.468 117 HA GLU 17 HA GLU 17 5.428 17.422 0.566 118 1HB GLU 17 1HB GLU 17 5.697 19.247 2.081 119 2HB GLU 17 2HB GLU 17 5.373 18.264 3.495 120 1HG GLU 17 1HG GLU 17 7.792 17.454 1.847 121 2HG GLU 17 2HG GLU 17 7.894 19.003 2.667 122 H MET 18 H MET 18 3.973 15.673 3.251 123 HA MET 18 HA MET 18 6.120 13.697 3.716 124 1HB MET 18 1HB MET 18 4.640 13.972 5.548 125 2HB MET 18 2HB MET 18 3.198 13.862 4.555 126 1HG MET 18 1HG MET 18 3.282 11.472 4.424 127 2HG MET 18 2HG MET 18 5.008 11.405 4.815 128 1HE MET 18 1HE MET 18 5.246 12.147 8.605 129 2HE MET 18 2HE MET 18 5.847 10.914 7.458 130 3HE MET 18 3HE MET 18 5.928 12.647 7.026 131 H ILE 19 H ILE 19 3.269 13.883 1.650 132 HA ILE 19 HA ILE 19 3.114 11.098 0.749 133 HB ILE 19 HB ILE 19 2.224 13.564 -0.831 134 1HG1 ILE 19 1HG1 ILE 19 1.148 12.555 1.683 135 2HG1 ILE 19 2HG1 ILE 19 0.588 13.899 0.711 136 1HG2 ILE 19 1HG2 ILE 19 0.666 12.000 -2.014 137 2HG2 ILE 19 2HG2 ILE 19 2.337 11.486 -2.242 138 3HG2 ILE 19 3HG2 ILE 19 1.302 10.623 -1.081 139 1HD1 ILE 19 1HD1 ILE 19 -0.382 11.001 0.372 140 2HD1 ILE 19 2HD1 ILE 19 -1.280 12.378 1.042 141 3HD1 ILE 19 3HD1 ILE 19 -0.850 12.361 -0.685 142 H ALA 20 H ALA 20 4.863 13.961 -0.423 143 HA ALA 20 HA ALA 20 5.915 13.052 -2.920 144 1HB ALA 20 1HB ALA 20 7.264 14.923 -2.880 145 2HB ALA 20 2HB ALA 20 6.165 15.372 -1.561 146 3HB ALA 20 3HB ALA 20 7.776 14.708 -1.189 147 H GLU 21 H GLU 21 7.168 12.541 0.372 148 HA GLU 21 HA GLU 21 9.686 11.205 -0.423 149 1HB GLU 21 1HB GLU 21 8.970 12.438 1.854 150 2HB GLU 21 2HB GLU 21 8.521 10.818 2.347 151 1HG GLU 21 1HG GLU 21 11.142 12.026 2.369 152 2HG GLU 21 2HG GLU 21 11.221 10.758 1.157 153 H PHE 22 H PHE 22 6.446 10.165 0.507 154 HA PHE 22 HA PHE 22 6.854 7.333 0.964 155 1HB PHE 22 1HB PHE 22 4.344 7.227 -0.032 156 2HB PHE 22 2HB PHE 22 4.436 8.964 0.085 157 HD1 PHE 22 HD1 PHE 22 4.425 5.781 2.035 158 HD2 PHE 22 HD2 PHE 22 4.521 10.074 2.333 159 HE1 PHE 22 HE1 PHE 22 3.855 5.639 4.424 160 HE2 PHE 22 HE2 PHE 22 4.053 9.905 4.743 161 HZ PHE 22 HZ PHE 22 3.677 7.696 5.784 162 H LYS 23 H LYS 23 5.928 9.064 -2.022 163 HA LYS 23 HA LYS 23 5.830 6.867 -3.885 164 1HB LYS 23 1HB LYS 23 6.812 9.694 -4.594 165 2HB LYS 23 2HB LYS 23 5.124 9.305 -4.334 166 1HG LYS 23 1HG LYS 23 5.220 9.152 -6.639 167 2HG LYS 23 2HG LYS 23 6.912 8.693 -6.671 168 1HD LYS 23 1HD LYS 23 4.726 6.710 -5.775 169 2HD LYS 23 2HD LYS 23 6.399 6.361 -6.177 170 1HE LYS 23 1HE LYS 23 5.308 5.653 -8.134 171 2HE LYS 23 2HE LYS 23 4.093 6.932 -8.084 172 1HZ LYS 23 1HZ LYS 23 6.039 7.040 -9.780 173 2HZ LYS 23 2HZ LYS 23 5.556 8.436 -9.040 174 3HZ LYS 23 3HZ LYS 23 6.923 7.661 -8.530 175 H ALA 24 H ALA 24 8.549 8.722 -2.617 176 HA ALA 24 HA ALA 24 10.706 8.161 -4.364 177 1HB ALA 24 1HB ALA 24 12.230 8.395 -2.413 178 2HB ALA 24 2HB ALA 24 10.945 9.617 -2.373 179 3HB ALA 24 3HB ALA 24 10.866 8.208 -1.285 180 H ALA 25 H ALA 25 10.123 6.245 -1.397 181 HA ALA 25 HA ALA 25 11.883 4.024 -2.109 182 1HB ALA 25 1HB ALA 25 10.901 2.857 -0.143 183 2HB ALA 25 2HB ALA 25 11.306 4.539 0.244 184 3HB ALA 25 3HB ALA 25 9.608 4.074 -0.027 185 H PHE 26 H PHE 26 8.450 4.636 -2.587 186 HA PHE 26 HA PHE 26 7.441 2.010 -3.228 187 1HB PHE 26 1HB PHE 26 6.065 4.133 -2.891 188 2HB PHE 26 2HB PHE 26 6.497 4.650 -4.500 189 HD1 PHE 26 HD1 PHE 26 4.238 2.592 -2.521 190 HD2 PHE 26 HD2 PHE 26 5.777 3.095 -6.507 191 HE1 PHE 26 HE1 PHE 26 2.341 1.312 -3.427 192 HE2 PHE 26 HE2 PHE 26 3.849 1.852 -7.398 193 HZ PHE 26 HZ PHE 26 2.152 0.924 -5.861 194 H ASP 27 H ASP 27 9.282 4.336 -5.129 195 HA ASP 27 HA ASP 27 8.916 3.016 -7.763 196 1HB ASP 27 1HB ASP 27 9.462 5.521 -7.375 197 2HB ASP 27 2HB ASP 27 11.117 5.036 -7.085 198 H MET 28 H MET 28 11.261 2.892 -5.148 199 HA MET 28 HA MET 28 13.561 1.699 -6.369 200 1HB MET 28 1HB MET 28 12.446 1.344 -3.546 201 2HB MET 28 2HB MET 28 13.849 0.431 -4.070 202 1HG MET 28 1HG MET 28 14.735 2.916 -4.814 203 2HG MET 28 2HG MET 28 13.604 3.406 -3.543 204 1HE MET 28 1HE MET 28 17.288 3.357 -3.484 205 2HE MET 28 2HE MET 28 15.982 4.415 -2.874 206 3HE MET 28 3HE MET 28 17.062 3.580 -1.720 207 H PHE 29 H PHE 29 10.557 0.184 -5.248 208 HA PHE 29 HA PHE 29 11.407 -2.594 -6.153 209 1HB PHE 29 1HB PHE 29 8.796 -1.658 -4.798 210 2HB PHE 29 2HB PHE 29 9.107 -3.294 -5.309 211 HD1 PHE 29 HD1 PHE 29 11.257 -4.506 -4.314 212 HD2 PHE 29 HD2 PHE 29 9.496 -0.986 -2.569 213 HE1 PHE 29 HE1 PHE 29 12.300 -5.042 -2.151 214 HE2 PHE 29 HE2 PHE 29 10.551 -1.541 -0.416 215 HZ PHE 29 HZ PHE 29 11.954 -3.561 -0.203 216 H ASP 30 H ASP 30 9.221 0.057 -6.959 217 HA ASP 30 HA ASP 30 7.828 -1.387 -9.182 218 1HB ASP 30 1HB ASP 30 7.707 1.638 -8.722 219 2HB ASP 30 2HB ASP 30 6.823 0.521 -7.708 220 H ALA 31 H ALA 31 9.481 -2.047 -10.512 221 HA ALA 31 HA ALA 31 11.606 -0.361 -11.640 222 1HB ALA 31 1HB ALA 31 11.989 -2.258 -13.219 223 2HB ALA 31 2HB ALA 31 11.814 -2.821 -11.545 224 3HB ALA 31 3HB ALA 31 10.473 -3.033 -12.701 225 H ASP 32 H ASP 32 8.946 -1.894 -13.452 226 HA ASP 32 HA ASP 32 8.294 0.706 -14.891 227 1HB ASP 32 1HB ASP 32 9.285 -1.811 -16.308 228 2HB ASP 32 2HB ASP 32 8.165 -0.732 -17.106 229 H GLY 33 H GLY 33 6.191 0.893 -15.416 230 1HA GLY 33 1HA GLY 33 4.023 -0.887 -15.814 231 2HA GLY 33 2HA GLY 33 4.279 -0.996 -14.069 232 H GLY 34 H GLY 34 4.187 0.959 -12.794 233 1HA GLY 34 1HA GLY 34 1.930 2.782 -13.451 234 2HA GLY 34 2HA GLY 34 3.479 3.609 -13.673 235 H GLY 35 H GLY 35 1.909 1.459 -11.295 236 1HA GLY 35 1HA GLY 35 2.214 3.208 -8.915 237 2HA GLY 35 2HA GLY 35 3.613 2.114 -9.060 238 H ASP 36 H ASP 36 3.452 -0.009 -8.732 239 HA ASP 36 HA ASP 36 1.323 -0.965 -6.915 240 1HB ASP 36 1HB ASP 36 0.504 -2.921 -8.276 241 2HB ASP 36 2HB ASP 36 -0.074 -1.357 -8.802 242 H ILE 37 H ILE 37 1.867 -2.941 -5.946 243 HA ILE 37 HA ILE 37 4.435 -4.390 -6.687 244 HB ILE 37 HB ILE 37 4.860 -4.123 -3.971 245 1HG1 ILE 37 1HG1 ILE 37 3.122 -1.962 -4.388 246 2HG1 ILE 37 2HG1 ILE 37 4.670 -1.198 -4.678 247 1HG2 ILE 37 1HG2 ILE 37 6.894 -2.827 -4.622 248 2HG2 ILE 37 2HG2 ILE 37 6.586 -4.112 -5.799 249 3HG2 ILE 37 3HG2 ILE 37 6.178 -2.428 -6.202 250 1HD1 ILE 37 1HD1 ILE 37 5.527 -1.798 -2.434 251 2HD1 ILE 37 2HD1 ILE 37 3.968 -0.954 -2.305 252 3HD1 ILE 37 3HD1 ILE 37 4.038 -2.717 -2.083 253 H SER 38 H SER 38 4.645 -6.354 -5.351 254 HA SER 38 HA SER 38 2.109 -7.872 -5.075 255 1HB SER 38 1HB SER 38 4.604 -8.694 -5.588 256 2HB SER 38 2HB SER 38 4.693 -8.868 -3.833 257 HG SER 38 HG SER 38 3.871 -10.718 -4.476 258 H THR 39 H THR 39 1.405 -8.872 -3.096 259 HA THR 39 HA THR 39 1.179 -6.952 -0.816 260 HB THR 39 HB THR 39 -0.286 -8.735 0.243 261 HG1 THR 39 HG1 THR 39 -0.621 -9.982 -2.160 262 1HG2 THR 39 1HG2 THR 39 -2.233 -8.380 -1.211 263 2HG2 THR 39 2HG2 THR 39 -1.300 -6.868 -1.132 264 3HG2 THR 39 3HG2 THR 39 -1.202 -7.904 -2.580 265 H LYS 40 H LYS 40 2.896 -9.926 -1.566 266 HA LYS 40 HA LYS 40 3.666 -10.762 1.128 267 1HB LYS 40 1HB LYS 40 4.541 -11.446 -1.666 268 2HB LYS 40 2HB LYS 40 4.040 -12.497 -0.358 269 1HG LYS 40 1HG LYS 40 6.785 -11.458 -1.065 270 2HG LYS 40 2HG LYS 40 6.468 -11.627 0.650 271 1HD LYS 40 1HD LYS 40 7.302 -13.764 0.265 272 2HD LYS 40 2HD LYS 40 5.605 -14.078 -0.061 273 1HE LYS 40 1HE LYS 40 6.567 -15.089 -1.935 274 2HE LYS 40 2HE LYS 40 6.196 -13.499 -2.604 275 1HZ LYS 40 1HZ LYS 40 8.836 -13.878 -1.354 276 2HZ LYS 40 2HZ LYS 40 8.570 -14.567 -2.832 277 3HZ LYS 40 3HZ LYS 40 8.412 -12.933 -2.641 278 H GLU 41 H GLU 41 5.025 -8.496 -1.204 279 HA GLU 41 HA GLU 41 7.530 -8.004 0.403 280 1HB GLU 41 1HB GLU 41 6.649 -7.441 -2.382 281 2HB GLU 41 2HB GLU 41 7.558 -6.125 -1.665 282 1HG GLU 41 1HG GLU 41 9.542 -7.477 -1.373 283 2HG GLU 41 2HG GLU 41 8.941 -7.827 -2.984 284 H LEU 42 H LEU 42 4.530 -6.363 -0.519 285 HA LEU 42 HA LEU 42 4.736 -3.722 0.263 286 1HB LEU 42 1HB LEU 42 2.517 -5.699 0.317 287 2HB LEU 42 2HB LEU 42 2.581 -4.087 -0.367 288 HG LEU 42 HG LEU 42 2.307 -4.491 2.666 289 1HD1 LEU 42 1HD1 LEU 42 -0.072 -4.255 0.717 290 2HD1 LEU 42 2HD1 LEU 42 0.457 -5.782 1.441 291 3HD1 LEU 42 3HD1 LEU 42 -0.142 -4.469 2.485 292 1HD2 LEU 42 1HD2 LEU 42 1.341 -2.219 2.661 293 2HD2 LEU 42 2HD2 LEU 42 2.885 -2.165 1.775 294 3HD2 LEU 42 3HD2 LEU 42 1.355 -2.160 0.879 295 H GLY 43 H GLY 43 4.344 -6.487 2.467 296 1HA GLY 43 1HA GLY 43 4.294 -5.314 5.085 297 2HA GLY 43 2HA GLY 43 5.130 -6.828 4.724 298 H THR 44 H THR 44 7.297 -6.588 3.644 299 HA THR 44 HA THR 44 9.267 -5.507 5.244 300 HB THR 44 HB THR 44 9.347 -5.976 2.245 301 HG1 THR 44 HG1 THR 44 10.399 -7.736 2.855 302 1HG2 THR 44 1HG2 THR 44 11.840 -5.789 2.294 303 2HG2 THR 44 2HG2 THR 44 11.073 -4.212 2.577 304 3HG2 THR 44 3HG2 THR 44 11.772 -5.119 3.943 305 H VAL 45 H VAL 45 7.432 -3.773 2.802 306 HA VAL 45 HA VAL 45 9.078 -1.370 2.537 307 HB VAL 45 HB VAL 45 6.054 -1.526 2.083 308 1HG1 VAL 45 1HG1 VAL 45 8.243 -2.002 -0.035 309 2HG1 VAL 45 2HG1 VAL 45 7.376 -3.312 0.777 310 3HG1 VAL 45 3HG1 VAL 45 6.478 -2.158 -0.236 311 1HG2 VAL 45 1HG2 VAL 45 6.288 0.372 0.568 312 2HG2 VAL 45 2HG2 VAL 45 7.081 0.847 2.088 313 3HG2 VAL 45 3HG2 VAL 45 8.066 0.360 0.701 314 H MET 46 H MET 46 6.093 -1.982 4.426 315 HA MET 46 HA MET 46 5.911 0.543 5.817 316 1HB MET 46 1HB MET 46 4.342 -0.468 7.330 317 2HB MET 46 2HB MET 46 5.029 -2.070 7.136 318 1HG MET 46 1HG MET 46 4.234 -1.559 4.506 319 2HG MET 46 2HG MET 46 3.014 -0.657 5.418 320 1HE MET 46 1HE MET 46 1.334 -1.492 6.974 321 2HE MET 46 2HE MET 46 0.984 -3.200 7.371 322 3HE MET 46 3HE MET 46 2.339 -2.358 8.178 323 NH1 ARG 47 NH1 ARG 47 11.772 -7.719 10.593 324 NH2 ARG 47 NH2 ARG 47 13.565 -6.857 9.496 325 H ARG 47 H ARG 47 7.754 -2.380 6.508 326 HA ARG 47 HA ARG 47 8.517 -1.847 9.301 327 1HB ARG 47 1HB ARG 47 8.710 -4.074 7.827 328 2HB ARG 47 2HB ARG 47 10.297 -3.443 7.413 329 1HG ARG 47 1HG ARG 47 9.531 -3.590 10.363 330 2HG ARG 47 2HG ARG 47 11.139 -3.590 9.634 331 1HD ARG 47 1HD ARG 47 9.295 -5.913 8.924 332 2HD ARG 47 2HD ARG 47 9.959 -5.879 10.556 333 HE ARG 47 HE ARG 47 11.738 -5.845 8.062 334 1HH1 ARG 47 1HH1 ARG 47 14.110 -7.576 9.984 335 2HH1 ARG 47 2HH1 ARG 47 13.925 -6.140 8.857 336 1HH2 ARG 47 1HH2 ARG 47 10.775 -7.636 10.819 337 2HH2 ARG 47 2HH2 ARG 47 12.436 -8.401 10.978 338 H MET 48 H MET 48 10.192 -1.306 6.192 339 HA MET 48 HA MET 48 12.590 -0.076 7.490 340 1HB MET 48 1HB MET 48 13.129 0.491 4.922 341 2HB MET 48 2HB MET 48 11.802 -0.605 4.585 342 1HG MET 48 1HG MET 48 13.007 -2.437 5.905 343 2HG MET 48 2HG MET 48 14.369 -1.328 6.130 344 1HE MET 48 1HE MET 48 16.011 -0.608 4.570 345 2HE MET 48 2HE MET 48 16.213 -1.133 2.873 346 3HE MET 48 3HE MET 48 15.063 0.178 3.269 347 H LEU 49 H LEU 49 9.534 1.050 6.566 348 HA LEU 49 HA LEU 49 10.264 3.949 6.133 349 1HB LEU 49 1HB LEU 49 7.603 2.473 6.458 350 2HB LEU 49 2HB LEU 49 7.672 4.217 6.583 351 HG LEU 49 HG LEU 49 8.215 2.466 4.135 352 1HD1 LEU 49 1HD1 LEU 49 9.000 5.445 4.290 353 2HD1 LEU 49 2HD1 LEU 49 10.160 4.104 4.334 354 3HD1 LEU 49 3HD1 LEU 49 9.165 4.367 2.881 355 1HD2 LEU 49 1HD2 LEU 49 6.522 3.879 3.045 356 2HD2 LEU 49 2HD2 LEU 49 5.859 3.382 4.622 357 3HD2 LEU 49 3HD2 LEU 49 6.502 5.018 4.415 358 H GLY 50 H GLY 50 9.223 1.738 8.674 359 1HA GLY 50 1HA GLY 50 9.719 3.858 10.853 360 2HA GLY 50 2HA GLY 50 10.547 2.288 10.884 361 H GLN 51 H GLN 51 9.512 0.462 11.461 362 HA GLN 51 HA GLN 51 7.024 0.741 13.156 363 1HB GLN 51 1HB GLN 51 6.974 -0.805 10.524 364 2HB GLN 51 2HB GLN 51 6.055 -1.395 11.897 365 1HG GLN 51 1HG GLN 51 5.714 1.326 10.511 366 2HG GLN 51 2HG GLN 51 4.609 -0.032 10.446 367 1HE2 GLN 51 1HE2 GLN 51 3.735 2.669 13.156 368 2HE2 GLN 51 2HE2 GLN 51 4.239 2.778 11.395 369 H ASN 52 H ASN 52 6.475 -1.795 13.704 370 HA ASN 52 HA ASN 52 8.924 -3.510 13.950 371 1HB ASN 52 1HB ASN 52 9.495 -2.448 15.893 372 2HB ASN 52 2HB ASN 52 8.453 -3.681 16.572 373 1HD2 ASN 52 1HD2 ASN 52 5.826 -0.743 16.597 374 2HD2 ASN 52 2HD2 ASN 52 5.954 -2.289 15.616 375 HA PRO 53 HA PRO 53 4.598 -5.696 14.116 376 1HB PRO 53 1HB PRO 53 4.159 -6.531 11.540 377 2HB PRO 53 2HB PRO 53 3.847 -4.879 12.093 378 1HG PRO 53 1HG PRO 53 5.288 -4.367 10.317 379 2HG PRO 53 2HG PRO 53 6.243 -5.861 10.460 380 1HD PRO 53 1HD PRO 53 7.748 -4.510 11.689 381 2HD PRO 53 2HD PRO 53 6.515 -3.234 11.928 382 H THR 54 H THR 54 4.263 -8.064 12.658 383 HA THR 54 HA THR 54 6.745 -9.771 13.206 384 HB THR 54 HB THR 54 5.701 -10.873 14.810 385 HG1 THR 54 HG1 THR 54 5.132 -12.517 13.734 386 1HG2 THR 54 1HG2 THR 54 3.349 -10.597 15.523 387 2HG2 THR 54 2HG2 THR 54 4.075 -9.002 15.221 388 3HG2 THR 54 3HG2 THR 54 2.954 -9.712 14.031 389 H LYS 55 H LYS 55 6.640 -11.860 12.003 390 HA LYS 55 HA LYS 55 6.130 -11.238 9.091 391 1HB LYS 55 1HB LYS 55 7.238 -13.928 9.630 392 2HB LYS 55 2HB LYS 55 8.146 -12.704 10.491 393 1HG LYS 55 1HG LYS 55 8.966 -11.712 8.535 394 2HG LYS 55 2HG LYS 55 7.555 -12.120 7.579 395 1HD LYS 55 1HD LYS 55 9.935 -13.932 8.295 396 2HD LYS 55 2HD LYS 55 8.399 -14.624 7.799 397 1HE LYS 55 1HE LYS 55 10.341 -12.975 6.132 398 2HE LYS 55 2HE LYS 55 9.571 -14.514 5.737 399 1HZ LYS 55 1HZ LYS 55 7.409 -13.127 5.718 400 2HZ LYS 55 2HZ LYS 55 8.389 -11.799 5.644 401 3HZ LYS 55 3HZ LYS 55 8.455 -12.941 4.452 402 H GLU 56 H GLU 56 5.056 -13.415 11.649 403 HA GLU 56 HA GLU 56 3.388 -15.240 10.019 404 1HB GLU 56 1HB GLU 56 3.408 -14.630 13.014 405 2HB GLU 56 2HB GLU 56 2.248 -15.727 12.292 406 1HG GLU 56 1HG GLU 56 5.188 -16.120 12.823 407 2HG GLU 56 2HG GLU 56 3.864 -17.267 12.933 408 H GLU 57 H GLU 57 2.944 -12.137 11.621 409 HA GLU 57 HA GLU 57 -0.004 -11.948 11.313 410 1HB GLU 57 1HB GLU 57 0.287 -9.521 11.882 411 2HB GLU 57 2HB GLU 57 2.028 -9.710 11.822 412 1HG GLU 57 1HG GLU 57 1.850 -11.438 13.729 413 2HG GLU 57 2HG GLU 57 1.450 -9.781 14.150 414 H LEU 58 H LEU 58 2.838 -10.925 9.468 415 HA LEU 58 HA LEU 58 1.498 -9.296 7.403 416 1HB LEU 58 1HB LEU 58 4.209 -10.260 7.936 417 2HB LEU 58 2HB LEU 58 3.818 -10.590 6.261 418 HG LEU 58 HG LEU 58 4.749 -8.474 6.045 419 1HD1 LEU 58 1HD1 LEU 58 3.460 -7.462 8.657 420 2HD1 LEU 58 2HD1 LEU 58 5.074 -8.183 8.581 421 3HD1 LEU 58 3HD1 LEU 58 4.741 -6.669 7.706 422 1HD2 LEU 58 1HD2 LEU 58 3.016 -6.761 5.637 423 2HD2 LEU 58 2HD2 LEU 58 2.354 -8.346 5.164 424 3HD2 LEU 58 3HD2 LEU 58 1.859 -7.606 6.697 425 H ASP 59 H ASP 59 2.169 -12.723 7.856 426 HA ASP 59 HA ASP 59 1.356 -13.750 5.250 427 1HB ASP 59 1HB ASP 59 1.613 -15.031 7.993 428 2HB ASP 59 2HB ASP 59 0.727 -15.895 6.757 429 H ALA 60 H ALA 60 -0.442 -12.935 8.186 430 HA ALA 60 HA ALA 60 -3.056 -14.028 7.438 431 1HB ALA 60 1HB ALA 60 -3.958 -12.620 9.283 432 2HB ALA 60 2HB ALA 60 -2.490 -13.481 9.784 433 3HB ALA 60 3HB ALA 60 -2.416 -11.741 9.409 434 H ILE 61 H ILE 61 -1.665 -10.744 7.197 435 HA ILE 61 HA ILE 61 -3.800 -9.226 6.168 436 HB ILE 61 HB ILE 61 -0.822 -8.982 5.606 437 1HG1 ILE 61 1HG1 ILE 61 -2.163 -8.269 7.877 438 2HG1 ILE 61 2HG1 ILE 61 -2.510 -6.826 6.949 439 1HG2 ILE 61 1HG2 ILE 61 -1.215 -6.797 4.437 440 2HG2 ILE 61 2HG2 ILE 61 -1.944 -8.125 3.536 441 3HG2 ILE 61 3HG2 ILE 61 -2.976 -7.054 4.511 442 1HD1 ILE 61 1HD1 ILE 61 -0.108 -6.288 6.657 443 2HD1 ILE 61 2HD1 ILE 61 -0.496 -6.523 8.374 444 3HD1 ILE 61 3HD1 ILE 61 0.354 -7.804 7.480 445 H ILE 62 H ILE 62 -1.711 -11.580 4.588 446 HA ILE 62 HA ILE 62 -2.286 -11.063 1.774 447 HB ILE 62 HB ILE 62 -1.542 -13.728 3.084 448 1HG1 ILE 62 1HG1 ILE 62 0.783 -13.276 2.329 449 2HG1 ILE 62 2HG1 ILE 62 0.241 -12.032 3.436 450 1HG2 ILE 62 1HG2 ILE 62 -0.876 -14.505 0.795 451 2HG2 ILE 62 2HG2 ILE 62 -2.596 -14.123 0.837 452 3HG2 ILE 62 3HG2 ILE 62 -1.460 -12.980 0.085 453 1HD1 ILE 62 1HD1 ILE 62 -0.104 -10.388 1.614 454 2HD1 ILE 62 2HD1 ILE 62 1.537 -11.064 1.546 455 3HD1 ILE 62 3HD1 ILE 62 0.305 -11.622 0.391 456 H GLU 63 H GLU 63 -3.729 -13.453 4.016 457 HA GLU 63 HA GLU 63 -5.728 -14.594 2.336 458 1HB GLU 63 1HB GLU 63 -5.447 -15.692 4.374 459 2HB GLU 63 2HB GLU 63 -5.572 -14.234 5.337 460 1HG GLU 63 1HG GLU 63 -7.991 -14.190 5.194 461 2HG GLU 63 2HG GLU 63 -8.027 -15.281 3.819 462 H GLU 64 H GLU 64 -5.740 -11.522 4.052 463 HA GLU 64 HA GLU 64 -8.609 -10.901 3.771 464 1HB GLU 64 1HB GLU 64 -6.882 -9.919 5.462 465 2HB GLU 64 2HB GLU 64 -6.437 -8.798 4.190 466 1HG GLU 64 1HG GLU 64 -9.140 -8.349 4.147 467 2HG GLU 64 2HG GLU 64 -8.033 -7.469 5.188 468 H VAL 65 H VAL 65 -5.680 -9.988 1.969 469 HA VAL 65 HA VAL 65 -7.364 -8.571 -0.154 470 HB VAL 65 HB VAL 65 -5.199 -7.579 1.217 471 1HG1 VAL 65 1HG1 VAL 65 -5.950 -6.649 -1.632 472 2HG1 VAL 65 2HG1 VAL 65 -6.951 -6.338 -0.202 473 3HG1 VAL 65 3HG1 VAL 65 -5.309 -5.659 -0.297 474 1HG2 VAL 65 1HG2 VAL 65 -3.213 -7.384 -0.189 475 2HG2 VAL 65 2HG2 VAL 65 -3.579 -9.123 -0.077 476 3HG2 VAL 65 3HG2 VAL 65 -3.992 -8.231 -1.548 477 H ASP 66 H ASP 66 -6.803 -11.526 0.263 478 HA ASP 66 HA ASP 66 -6.092 -12.178 -2.594 479 1HB ASP 66 1HB ASP 66 -4.555 -13.758 -0.483 480 2HB ASP 66 2HB ASP 66 -3.916 -12.245 -1.083 481 H GLU 67 H GLU 67 -8.462 -12.160 -1.067 482 HA GLU 67 HA GLU 67 -9.234 -15.000 -0.435 483 1HB GLU 67 1HB GLU 67 -10.262 -13.352 0.955 484 2HB GLU 67 2HB GLU 67 -10.775 -12.368 -0.402 485 1HG GLU 67 1HG GLU 67 -12.648 -13.732 -0.886 486 2HG GLU 67 2HG GLU 67 -11.908 -15.190 -0.248 487 H ASP 68 H ASP 68 -9.548 -12.641 -3.032 488 HA ASP 68 HA ASP 68 -10.809 -14.749 -4.855 489 1HB ASP 68 1HB ASP 68 -12.326 -13.165 -5.876 490 2HB ASP 68 2HB ASP 68 -11.629 -11.808 -5.022 491 H GLY 69 H GLY 69 -9.067 -15.240 -6.022 492 1HA GLY 69 1HA GLY 69 -8.193 -13.364 -8.173 493 2HA GLY 69 2HA GLY 69 -7.639 -15.029 -7.968 494 H SER 70 H SER 70 -5.954 -12.945 -8.659 495 HA SER 70 HA SER 70 -3.720 -13.271 -6.756 496 1HB SER 70 1HB SER 70 -3.779 -11.231 -9.034 497 2HB SER 70 2HB SER 70 -3.604 -12.962 -9.332 498 HG SER 70 HG SER 70 -1.679 -11.537 -8.960 499 H GLY 71 H GLY 71 -2.709 -11.704 -5.492 500 1HA GLY 71 1HA GLY 71 -4.505 -9.445 -4.458 501 2HA GLY 71 2HA GLY 71 -3.209 -10.209 -3.533 502 H THR 72 H THR 72 -4.054 -7.665 -5.598 503 HA THR 72 HA THR 72 -1.161 -6.711 -5.768 504 HB THR 72 HB THR 72 -3.199 -5.702 -7.767 505 HG1 THR 72 HG1 THR 72 -1.550 -7.732 -8.562 506 1HG2 THR 72 1HG2 THR 72 -1.036 -5.750 -9.273 507 2HG2 THR 72 2HG2 THR 72 -1.225 -4.424 -8.104 508 3HG2 THR 72 3HG2 THR 72 -0.136 -5.788 -7.741 509 H ILE 73 H ILE 73 -0.800 -4.517 -5.355 510 HA ILE 73 HA ILE 73 -3.049 -2.964 -4.043 511 HB ILE 73 HB ILE 73 -1.890 -4.201 -2.259 512 1HG1 ILE 73 1HG1 ILE 73 -3.083 -2.186 -1.644 513 2HG1 ILE 73 2HG1 ILE 73 -1.774 -1.147 -2.179 514 1HG2 ILE 73 1HG2 ILE 73 0.389 -3.699 -1.458 515 2HG2 ILE 73 2HG2 ILE 73 0.481 -4.245 -3.139 516 3HG2 ILE 73 3HG2 ILE 73 0.646 -2.514 -2.759 517 1HD1 ILE 73 1HD1 ILE 73 -0.318 -2.349 -0.278 518 2HD1 ILE 73 2HD1 ILE 73 -1.476 -1.067 0.139 519 3HD1 ILE 73 3HD1 ILE 73 -1.918 -2.773 0.392 520 H ASP 74 H ASP 74 -2.863 -0.746 -4.131 521 HA ASP 74 HA ASP 74 -0.779 0.360 -6.084 522 1HB ASP 74 1HB ASP 74 -2.387 2.088 -6.737 523 2HB ASP 74 2HB ASP 74 -3.038 0.487 -7.004 524 H PHE 75 H PHE 75 -1.048 3.014 -5.659 525 HA PHE 75 HA PHE 75 0.625 3.422 -3.245 526 1HB PHE 75 1HB PHE 75 0.864 4.636 -5.505 527 2HB PHE 75 2HB PHE 75 -0.535 5.591 -5.093 528 HD1 PHE 75 HD1 PHE 75 0.592 5.395 -1.911 529 HD2 PHE 75 HD2 PHE 75 2.077 6.876 -5.669 530 HE1 PHE 75 HE1 PHE 75 1.971 7.054 -0.725 531 HE2 PHE 75 HE2 PHE 75 3.509 8.474 -4.460 532 HZ PHE 75 HZ PHE 75 3.453 8.572 -1.993 533 H GLU 76 H GLU 76 -2.719 4.005 -4.183 534 HA GLU 76 HA GLU 76 -3.526 5.832 -2.052 535 1HB GLU 76 1HB GLU 76 -5.334 3.882 -3.576 536 2HB GLU 76 2HB GLU 76 -5.867 5.249 -2.618 537 1HG GLU 76 1HG GLU 76 -4.488 6.764 -4.261 538 2HG GLU 76 2HG GLU 76 -4.304 5.338 -5.269 539 H GLU 77 H GLU 77 -4.075 2.319 -2.423 540 HA GLU 77 HA GLU 77 -5.147 1.804 0.270 541 1HB GLU 77 1HB GLU 77 -4.192 -0.649 -0.334 542 2HB GLU 77 2HB GLU 77 -4.089 0.037 -1.943 543 1HG GLU 77 1HG GLU 77 -6.603 -0.396 -0.234 544 2HG GLU 77 2HG GLU 77 -6.634 0.740 -1.572 545 H PHE 78 H PHE 78 -1.920 2.005 -1.108 546 HA PHE 78 HA PHE 78 -0.356 0.767 1.005 547 1HB PHE 78 1HB PHE 78 0.777 1.117 -1.050 548 2HB PHE 78 2HB PHE 78 0.320 2.796 -1.170 549 HD1 PHE 78 HD1 PHE 78 2.929 0.519 -0.197 550 HD2 PHE 78 HD2 PHE 78 1.357 4.416 0.729 551 HE1 PHE 78 HE1 PHE 78 5.094 1.174 0.776 552 HE2 PHE 78 HE2 PHE 78 3.534 5.059 1.678 553 HZ PHE 78 HZ PHE 78 5.386 3.425 1.754 554 H LEU 79 H LEU 79 -1.693 4.006 0.604 555 HA LEU 79 HA LEU 79 -0.358 5.186 3.013 556 1HB LEU 79 1HB LEU 79 -2.673 6.289 1.312 557 2HB LEU 79 2HB LEU 79 -1.845 7.171 2.577 558 HG LEU 79 HG LEU 79 -0.243 6.068 0.210 559 1HD1 LEU 79 1HD1 LEU 79 -0.620 8.200 -1.037 560 2HD1 LEU 79 2HD1 LEU 79 -2.149 7.330 -0.814 561 3HD1 LEU 79 3HD1 LEU 79 -1.782 8.749 0.198 562 1HD2 LEU 79 1HD2 LEU 79 0.177 8.532 2.032 563 2HD2 LEU 79 2HD2 LEU 79 1.088 7.004 2.105 564 3HD2 LEU 79 3HD2 LEU 79 1.236 8.047 0.683 565 H VAL 80 H VAL 80 -3.452 3.733 2.157 566 HA VAL 80 HA VAL 80 -5.046 4.250 4.534 567 HB VAL 80 HB VAL 80 -5.475 2.787 2.230 568 1HG1 VAL 80 1HG1 VAL 80 -7.278 2.566 4.720 569 2HG1 VAL 80 2HG1 VAL 80 -7.176 4.028 3.730 570 3HG1 VAL 80 3HG1 VAL 80 -7.765 2.514 3.005 571 1HG2 VAL 80 1HG2 VAL 80 -6.090 0.479 2.776 572 2HG2 VAL 80 2HG2 VAL 80 -4.391 0.690 3.259 573 3HG2 VAL 80 3HG2 VAL 80 -5.662 0.695 4.491 574 H MET 81 H MET 81 -2.472 1.941 3.808 575 HA MET 81 HA MET 81 -2.488 0.295 6.184 576 1HB MET 81 1HB MET 81 0.281 0.596 5.473 577 2HB MET 81 2HB MET 81 -0.600 0.831 3.970 578 1HG MET 81 1HG MET 81 -0.901 -1.607 5.824 579 2HG MET 81 2HG MET 81 0.027 -1.562 4.304 580 1HE MET 81 1HE MET 81 -4.068 -3.012 4.746 581 2HE MET 81 2HE MET 81 -2.557 -3.889 4.365 582 3HE MET 81 3HE MET 81 -2.667 -2.913 5.858 583 H MET 82 H MET 82 0.118 2.642 5.664 584 HA MET 82 HA MET 82 1.086 2.997 8.268 585 1HB MET 82 1HB MET 82 1.060 4.768 5.849 586 2HB MET 82 2HB MET 82 1.254 5.637 7.360 587 1HG MET 82 1HG MET 82 3.496 5.224 6.926 588 2HG MET 82 2HG MET 82 3.151 3.743 7.833 589 1HE MET 82 1HE MET 82 2.302 1.098 5.573 590 2HE MET 82 2HE MET 82 4.036 1.052 6.012 591 3HE MET 82 3HE MET 82 2.834 1.655 7.191 592 H VAL 83 H VAL 83 -1.888 4.302 6.940 593 HA VAL 83 HA VAL 83 -2.548 6.259 9.000 594 HB VAL 83 HB VAL 83 -4.178 4.830 6.899 595 1HG1 VAL 83 1HG1 VAL 83 -6.295 5.933 7.651 596 2HG1 VAL 83 2HG1 VAL 83 -5.736 4.766 8.858 597 3HG1 VAL 83 3HG1 VAL 83 -5.493 6.506 9.137 598 1HG2 VAL 83 1HG2 VAL 83 -3.816 7.832 7.544 599 2HG2 VAL 83 2HG2 VAL 83 -2.981 6.939 6.252 600 3HG2 VAL 83 3HG2 VAL 83 -4.735 7.161 6.172 601 NH1 ARG 84 NH1 ARG 84 -9.430 0.563 8.802 602 NH2 ARG 84 NH2 ARG 84 -9.681 -0.900 7.081 603 H ARG 84 H ARG 84 -3.757 2.906 8.566 604 HA ARG 84 HA ARG 84 -5.186 2.604 11.074 605 1HB ARG 84 1HB ARG 84 -3.893 0.538 9.214 606 2HB ARG 84 2HB ARG 84 -4.669 0.059 10.718 607 1HG ARG 84 1HG ARG 84 -6.697 1.614 9.740 608 2HG ARG 84 2HG ARG 84 -5.946 1.174 8.204 609 1HD ARG 84 1HD ARG 84 -5.993 -1.326 9.364 610 2HD ARG 84 2HD ARG 84 -7.359 -0.613 10.219 611 HE ARG 84 HE ARG 84 -7.240 -1.183 7.261 612 1HH1 ARG 84 1HH1 ARG 84 -10.432 0.754 8.683 613 2HH1 ARG 84 2HH1 ARG 84 -8.791 1.021 9.461 614 1HH2 ARG 84 1HH2 ARG 84 -9.228 -1.536 6.416 615 2HH2 ARG 84 2HH2 ARG 84 -10.669 -0.626 7.096 616 H GLN 85 H GLN 85 -1.791 1.779 10.278 617 HA GLN 85 HA GLN 85 -1.108 0.435 12.787 618 1HB GLN 85 1HB GLN 85 1.331 1.501 11.885 619 2HB GLN 85 2HB GLN 85 0.379 1.445 10.411 620 1HG GLN 85 1HG GLN 85 1.371 -0.656 10.345 621 2HG GLN 85 2HG GLN 85 1.429 -0.837 12.086 622 1HE2 GLN 85 1HE2 GLN 85 -1.225 -3.225 11.569 623 2HE2 GLN 85 2HE2 GLN 85 0.578 -2.988 11.812 624 H MET 86 H MET 86 -0.813 3.804 11.701 625 HA MET 86 HA MET 86 0.807 4.895 13.853 626 1HB MET 86 1HB MET 86 -1.348 6.570 12.475 627 2HB MET 86 2HB MET 86 0.046 5.996 11.577 628 1HG MET 86 1HG MET 86 1.230 7.134 13.898 629 2HG MET 86 2HG MET 86 1.153 7.854 12.282 630 1HE MET 86 1HE MET 86 0.274 10.359 15.335 631 2HE MET 86 2HE MET 86 -0.140 8.801 16.107 632 3HE MET 86 3HE MET 86 1.376 8.956 15.173 633 H LYS 87 H LYS 87 -2.737 4.763 13.447 634 HA LYS 87 HA LYS 87 -3.473 5.965 16.042 635 1HB LYS 87 1HB LYS 87 -5.567 5.861 15.235 636 2HB LYS 87 2HB LYS 87 -4.915 5.171 13.763 637 1HG LYS 87 1HG LYS 87 -5.444 2.908 14.456 638 2HG LYS 87 2HG LYS 87 -5.694 3.376 16.126 639 1HD LYS 87 1HD LYS 87 -7.533 4.617 14.024 640 2HD LYS 87 2HD LYS 87 -7.725 2.912 14.395 641 1HE LYS 87 1HE LYS 87 -8.462 3.276 16.603 642 2HE LYS 87 2HE LYS 87 -7.625 4.821 16.772 643 1HZ LYS 87 1HZ LYS 87 -9.382 5.394 14.818 644 2HZ LYS 87 2HZ LYS 87 -10.247 4.257 15.648 645 3HZ LYS 87 3HZ LYS 87 -9.701 5.609 16.425 646 H GLU 88 H GLU 88 -2.691 2.714 14.928 647 HA GLU 88 HA GLU 88 -2.183 0.676 16.090 648 1HB GLU 88 1HB GLU 88 -0.836 2.360 17.491 649 2HB GLU 88 2HB GLU 88 -2.151 2.353 18.649 650 1HG GLU 88 1HG GLU 88 -1.734 0.091 19.329 651 2HG GLU 88 2HG GLU 88 -0.893 -0.319 17.844 652 H ASP 89 H ASP 89 -4.335 0.102 15.425 653 HA ASP 89 HA ASP 89 -6.550 0.216 17.497 654 1HB ASP 89 1HB ASP 89 -6.970 0.787 15.016 655 2HB ASP 89 2HB ASP 89 -6.769 -0.912 14.655 656 H ALA 90 H ALA 90 -7.026 -1.412 18.750 657 HA ALA 90 HA ALA 90 -6.463 -4.292 17.986 658 1HB ALA 90 1HB ALA 90 -4.505 -4.306 19.228 659 2HB ALA 90 2HB ALA 90 -4.931 -2.848 20.145 660 3HB ALA 90 3HB ALA 90 -5.598 -4.426 20.630 Start of MODEL 11 Raw file had 660 H/Q atoms Start of MODEL 11 1 1H ALA 1 1H ALA 1 -26.185 6.407 5.254 2 2H ALA 1 2H ALA 1 -25.677 5.384 6.488 3 3H ALA 1 3H ALA 1 -24.874 6.837 6.216 4 HA ALA 1 HA ALA 1 -24.981 4.478 4.436 5 1HB ALA 1 1HB ALA 1 -24.101 7.349 3.938 6 2HB ALA 1 2HB ALA 1 -23.181 6.049 3.158 7 3HB ALA 1 3HB ALA 1 -24.926 6.219 2.839 8 H SER 2 H SER 2 -22.400 4.339 3.812 9 HA SER 2 HA SER 2 -20.629 4.530 6.275 10 1HB SER 2 1HB SER 2 -21.981 2.039 5.454 11 2HB SER 2 2HB SER 2 -20.227 1.847 5.476 12 HG SER 2 HG SER 2 -21.970 2.647 7.535 13 H MET 3 H MET 3 -18.448 4.350 5.803 14 HA MET 3 HA MET 3 -16.442 4.697 4.512 15 1HB MET 3 1HB MET 3 -17.817 2.487 2.889 16 2HB MET 3 2HB MET 3 -16.615 2.305 4.155 17 1HG MET 3 1HG MET 3 -14.942 2.361 2.614 18 2HG MET 3 2HG MET 3 -15.417 3.992 2.112 19 1HE MET 3 1HE MET 3 -15.293 0.321 1.516 20 2HE MET 3 2HE MET 3 -17.071 0.128 1.510 21 3HE MET 3 3HE MET 3 -16.158 0.014 -0.023 22 H THR 4 H THR 4 -18.286 6.646 4.236 23 HA THR 4 HA THR 4 -19.180 7.500 1.635 24 HB THR 4 HB THR 4 -18.754 9.882 2.430 25 HG1 THR 4 HG1 THR 4 -18.268 8.744 4.939 26 1HG2 THR 4 1HG2 THR 4 -20.509 9.920 4.162 27 2HG2 THR 4 2HG2 THR 4 -21.002 8.813 2.862 28 3HG2 THR 4 3HG2 THR 4 -20.396 8.164 4.408 29 H ASP 5 H ASP 5 -15.966 7.146 2.942 30 HA ASP 5 HA ASP 5 -14.481 7.066 0.548 31 1HB ASP 5 1HB ASP 5 -15.157 9.915 1.169 32 2HB ASP 5 2HB ASP 5 -13.454 9.631 0.896 33 H GLN 6 H GLN 6 -13.969 5.618 2.421 34 HA GLN 6 HA GLN 6 -12.453 6.597 4.783 35 1HB GLN 6 1HB GLN 6 -13.168 3.863 3.674 36 2HB GLN 6 2HB GLN 6 -11.804 3.966 4.773 37 1HG GLN 6 1HG GLN 6 -13.556 5.378 6.294 38 2HG GLN 6 2HG GLN 6 -14.744 4.511 5.343 39 1HE2 GLN 6 1HE2 GLN 6 -14.247 1.442 7.139 40 2HE2 GLN 6 2HE2 GLN 6 -15.101 2.331 5.780 41 H GLN 7 H GLN 7 -11.662 5.239 1.615 42 HA GLN 7 HA GLN 7 -8.800 4.702 1.962 43 1HB GLN 7 1HB GLN 7 -9.822 5.642 -0.739 44 2HB GLN 7 2HB GLN 7 -8.642 4.405 -0.346 45 1HG GLN 7 1HG GLN 7 -11.690 4.154 -0.024 46 2HG GLN 7 2HG GLN 7 -10.713 3.399 -1.266 47 1HE2 GLN 7 1HE2 GLN 7 -9.499 0.778 0.973 48 2HE2 GLN 7 2HE2 GLN 7 -8.983 1.838 -0.433 49 H ALA 8 H ALA 8 -10.635 7.585 0.967 50 HA ALA 8 HA ALA 8 -8.299 9.263 0.249 51 1HB ALA 8 1HB ALA 8 -9.842 10.913 -0.330 52 2HB ALA 8 2HB ALA 8 -10.845 9.458 -0.490 53 3HB ALA 8 3HB ALA 8 -11.001 10.491 0.954 54 H GLU 9 H GLU 9 -10.233 8.698 3.137 55 HA GLU 9 HA GLU 9 -9.668 10.997 4.759 56 1HB GLU 9 1HB GLU 9 -10.993 8.557 5.178 57 2HB GLU 9 2HB GLU 9 -9.698 8.500 6.358 58 1HG GLU 9 1HG GLU 9 -11.390 9.531 7.610 59 2HG GLU 9 2HG GLU 9 -10.510 10.942 7.049 60 H ALA 10 H ALA 10 -7.739 8.101 4.138 61 HA ALA 10 HA ALA 10 -5.718 8.346 6.218 62 1HB ALA 10 1HB ALA 10 -4.343 6.812 4.820 63 2HB ALA 10 2HB ALA 10 -6.026 6.261 4.918 64 3HB ALA 10 3HB ALA 10 -5.434 7.048 3.433 65 NH1 ARG 11 NH1 ARG 11 -6.808 14.179 -2.612 66 NH2 ARG 11 NH2 ARG 11 -7.758 15.081 -0.755 67 H ARG 11 H ARG 11 -5.868 9.602 2.893 68 HA ARG 11 HA ARG 11 -3.141 10.792 2.787 69 1HB ARG 11 1HB ARG 11 -4.067 10.299 0.656 70 2HB ARG 11 2HB ARG 11 -5.632 10.992 1.053 71 1HG ARG 11 1HG ARG 11 -4.309 13.311 1.217 72 2HG ARG 11 2HG ARG 11 -3.076 12.471 0.274 73 1HD ARG 11 1HD ARG 11 -5.061 11.793 -1.357 74 2HD ARG 11 2HD ARG 11 -4.396 13.423 -1.446 75 HE ARG 11 HE ARG 11 -6.810 13.050 0.353 76 1HH1 ARG 11 1HH1 ARG 11 -7.287 14.927 -3.125 77 2HH1 ARG 11 2HH1 ARG 11 -6.239 13.425 -3.012 78 1HH2 ARG 11 1HH2 ARG 11 -7.914 15.013 0.257 79 2HH2 ARG 11 2HH2 ARG 11 -8.166 15.771 -1.395 80 H ALA 12 H ALA 12 -6.382 11.872 3.675 81 HA ALA 12 HA ALA 12 -5.870 14.773 3.918 82 1HB ALA 12 1HB ALA 12 -7.990 14.849 5.215 83 2HB ALA 12 2HB ALA 12 -8.177 13.888 3.734 84 3HB ALA 12 3HB ALA 12 -8.032 13.072 5.311 85 H PHE 13 H PHE 13 -5.410 11.977 6.005 86 HA PHE 13 HA PHE 13 -5.104 13.373 8.571 87 1HB PHE 13 1HB PHE 13 -4.361 10.562 7.621 88 2HB PHE 13 2HB PHE 13 -5.692 11.041 8.640 89 HD1 PHE 13 HD1 PHE 13 -5.447 10.631 10.978 90 HD2 PHE 13 HD2 PHE 13 -1.884 11.280 8.651 91 HE1 PHE 13 HE1 PHE 13 -4.057 10.057 12.926 92 HE2 PHE 13 HE2 PHE 13 -0.513 10.742 10.621 93 HZ PHE 13 HZ PHE 13 -1.592 10.150 12.764 94 H LEU 14 H LEU 14 -2.806 12.113 6.159 95 HA LEU 14 HA LEU 14 -0.403 13.238 7.618 96 1HB LEU 14 1HB LEU 14 0.968 11.940 6.187 97 2HB LEU 14 2HB LEU 14 -0.220 11.874 4.903 98 HG LEU 14 HG LEU 14 -1.655 10.408 6.608 99 1HD1 LEU 14 1HD1 LEU 14 1.156 9.927 7.784 100 2HD1 LEU 14 2HD1 LEU 14 -0.118 10.856 8.595 101 3HD1 LEU 14 3HD1 LEU 14 -0.358 9.121 8.267 102 1HD2 LEU 14 1HD2 LEU 14 -0.667 8.344 5.706 103 2HD2 LEU 14 2HD2 LEU 14 -0.550 9.586 4.435 104 3HD2 LEU 14 3HD2 LEU 14 0.884 9.157 5.379 105 H SER 15 H SER 15 1.138 14.556 6.451 106 HA SER 15 HA SER 15 -0.104 16.911 5.148 107 1HB SER 15 1HB SER 15 2.507 17.507 4.895 108 2HB SER 15 2HB SER 15 2.695 16.184 6.048 109 HG SER 15 HG SER 15 2.378 17.991 7.202 110 H GLU 16 H GLU 16 0.863 17.827 3.124 111 HA GLU 16 HA GLU 16 0.471 15.936 0.851 112 1HB GLU 16 1HB GLU 16 1.306 18.205 -0.411 113 2HB GLU 16 2HB GLU 16 0.827 18.916 1.118 114 1HG GLU 16 1HG GLU 16 -1.470 17.610 0.764 115 2HG GLU 16 2HG GLU 16 -1.163 19.106 -0.101 116 H GLU 17 H GLU 17 3.139 17.538 2.473 117 HA GLU 17 HA GLU 17 5.214 16.937 0.406 118 1HB GLU 17 1HB GLU 17 5.212 18.883 2.175 119 2HB GLU 17 2HB GLU 17 5.893 17.702 3.275 120 1HG GLU 17 1HG GLU 17 7.891 18.532 2.473 121 2HG GLU 17 2HG GLU 17 7.653 17.329 1.217 122 H MET 18 H MET 18 4.038 15.506 3.403 123 HA MET 18 HA MET 18 6.135 13.504 3.853 124 1HB MET 18 1HB MET 18 4.850 13.738 5.763 125 2HB MET 18 2HB MET 18 3.341 13.932 4.889 126 1HG MET 18 1HG MET 18 4.425 11.175 4.556 127 2HG MET 18 2HG MET 18 2.813 11.708 5.059 128 1HE MET 18 1HE MET 18 4.345 13.752 7.818 129 2HE MET 18 2HE MET 18 2.700 13.280 7.297 130 3HE MET 18 3HE MET 18 3.351 12.672 8.847 131 H ILE 19 H ILE 19 3.193 13.595 1.912 132 HA ILE 19 HA ILE 19 3.058 10.772 1.085 133 HB ILE 19 HB ILE 19 1.978 13.277 -0.300 134 1HG1 ILE 19 1HG1 ILE 19 0.618 13.068 1.619 135 2HG1 ILE 19 2HG1 ILE 19 -0.289 12.147 0.439 136 1HG2 ILE 19 1HG2 ILE 19 0.626 11.764 -1.769 137 2HG2 ILE 19 2HG2 ILE 19 2.348 11.484 -2.025 138 3HG2 ILE 19 3HG2 ILE 19 1.406 10.332 -1.051 139 1HD1 ILE 19 1HD1 ILE 19 1.470 10.890 2.625 140 2HD1 ILE 19 2HD1 ILE 19 -0.303 10.910 2.532 141 3HD1 ILE 19 3HD1 ILE 19 0.633 9.975 1.341 142 H ALA 20 H ALA 20 4.648 13.673 -0.226 143 HA ALA 20 HA ALA 20 5.650 12.761 -2.727 144 1HB ALA 20 1HB ALA 20 7.024 14.634 -2.738 145 2HB ALA 20 2HB ALA 20 5.885 15.103 -1.461 146 3HB ALA 20 3HB ALA 20 7.500 14.485 -1.030 147 H GLU 21 H GLU 21 6.913 12.181 0.530 148 HA GLU 21 HA GLU 21 9.470 10.916 -0.287 149 1HB GLU 21 1HB GLU 21 8.882 12.096 1.975 150 2HB GLU 21 2HB GLU 21 8.182 10.564 2.456 151 1HG GLU 21 1HG GLU 21 10.399 9.416 2.166 152 2HG GLU 21 2HG GLU 21 10.474 10.732 3.325 153 H PHE 22 H PHE 22 6.333 9.739 0.925 154 HA PHE 22 HA PHE 22 6.776 6.911 1.004 155 1HB PHE 22 1HB PHE 22 4.185 8.381 0.238 156 2HB PHE 22 2HB PHE 22 4.264 6.663 0.532 157 HD1 PHE 22 HD1 PHE 22 2.525 7.148 2.372 158 HD2 PHE 22 HD2 PHE 22 6.536 8.691 2.613 159 HE1 PHE 22 HE1 PHE 22 2.239 7.545 4.781 160 HE2 PHE 22 HE2 PHE 22 6.226 9.091 5.021 161 HZ PHE 22 HZ PHE 22 4.075 8.538 6.105 162 H LYS 23 H LYS 23 6.199 9.051 -1.721 163 HA LYS 23 HA LYS 23 5.564 7.085 -3.797 164 1HB LYS 23 1HB LYS 23 6.339 8.918 -5.434 165 2HB LYS 23 2HB LYS 23 6.762 9.909 -4.054 166 1HG LYS 23 1HG LYS 23 3.993 9.013 -4.985 167 2HG LYS 23 2HG LYS 23 4.217 9.503 -3.318 168 1HD LYS 23 1HD LYS 23 5.400 11.670 -4.621 169 2HD LYS 23 2HD LYS 23 3.746 11.597 -4.036 170 1HE LYS 23 1HE LYS 23 3.080 10.623 -6.372 171 2HE LYS 23 2HE LYS 23 3.465 12.343 -6.281 172 1HZ LYS 23 1HZ LYS 23 4.670 11.576 -8.099 173 2HZ LYS 23 2HZ LYS 23 5.834 11.561 -6.927 174 3HZ LYS 23 3HZ LYS 23 5.113 10.150 -7.392 175 H ALA 24 H ALA 24 8.617 8.748 -2.946 176 HA ALA 24 HA ALA 24 10.357 7.587 -4.951 177 1HB ALA 24 1HB ALA 24 12.242 8.298 -3.492 178 2HB ALA 24 2HB ALA 24 11.010 9.568 -3.610 179 3HB ALA 24 3HB ALA 24 11.128 8.578 -2.133 180 H ALA 25 H ALA 25 9.350 6.432 -1.763 181 HA ALA 25 HA ALA 25 11.330 4.244 -1.487 182 1HB ALA 25 1HB ALA 25 9.965 3.539 0.471 183 2HB ALA 25 2HB ALA 25 10.287 5.283 0.506 184 3HB ALA 25 3HB ALA 25 8.678 4.685 0.027 185 H PHE 26 H PHE 26 7.902 4.429 -2.432 186 HA PHE 26 HA PHE 26 7.301 1.612 -2.672 187 1HB PHE 26 1HB PHE 26 6.046 3.848 -4.370 188 2HB PHE 26 2HB PHE 26 5.631 3.563 -2.700 189 HD1 PHE 26 HD1 PHE 26 3.763 2.137 -2.265 190 HD2 PHE 26 HD2 PHE 26 5.891 1.629 -5.969 191 HE1 PHE 26 HE1 PHE 26 2.098 0.482 -3.007 192 HE2 PHE 26 HE2 PHE 26 4.199 -0.001 -6.707 193 HZ PHE 26 HZ PHE 26 2.309 -0.584 -5.227 194 H ASP 27 H ASP 27 8.494 3.955 -5.077 195 HA ASP 27 HA ASP 27 8.524 2.168 -7.410 196 1HB ASP 27 1HB ASP 27 8.661 4.786 -7.378 197 2HB ASP 27 2HB ASP 27 10.379 4.581 -7.123 198 H MET 28 H MET 28 10.753 2.792 -4.780 199 HA MET 28 HA MET 28 13.275 1.862 -5.706 200 1HB MET 28 1HB MET 28 12.385 2.557 -3.214 201 2HB MET 28 2HB MET 28 12.487 0.821 -2.985 202 1HG MET 28 1HG MET 28 14.963 1.100 -4.017 203 2HG MET 28 2HG MET 28 14.745 2.793 -3.546 204 1HE MET 28 1HE MET 28 15.759 2.942 -0.083 205 2HE MET 28 2HE MET 28 15.402 3.683 -1.671 206 3HE MET 28 3HE MET 28 14.077 3.391 -0.507 207 H PHE 29 H PHE 29 10.404 0.002 -4.858 208 HA PHE 29 HA PHE 29 11.787 -2.665 -5.412 209 1HB PHE 29 1HB PHE 29 9.707 -3.736 -4.520 210 2HB PHE 29 2HB PHE 29 8.937 -2.182 -4.358 211 HD1 PHE 29 HD1 PHE 29 10.451 -4.642 -2.450 212 HD2 PHE 29 HD2 PHE 29 10.587 -0.366 -2.935 213 HE1 PHE 29 HE1 PHE 29 11.325 -4.398 -0.162 214 HE2 PHE 29 HE2 PHE 29 11.447 -0.145 -0.640 215 HZ PHE 29 HZ PHE 29 11.825 -2.154 0.745 216 H ASP 30 H ASP 30 9.232 -0.503 -6.531 217 HA ASP 30 HA ASP 30 8.359 -2.294 -8.783 218 1HB ASP 30 1HB ASP 30 6.749 -0.733 -7.556 219 2HB ASP 30 2HB ASP 30 7.551 0.627 -8.308 220 H ALA 31 H ALA 31 10.229 -2.605 -9.939 221 HA ALA 31 HA ALA 31 12.088 -0.565 -10.929 222 1HB ALA 31 1HB ALA 31 12.891 -2.344 -12.488 223 2HB ALA 31 2HB ALA 31 12.707 -2.955 -10.832 224 3HB ALA 31 3HB ALA 31 11.500 -3.374 -12.076 225 H ASP 32 H ASP 32 9.296 -2.203 -12.428 226 HA ASP 32 HA ASP 32 8.483 0.224 -13.961 227 1HB ASP 32 1HB ASP 32 8.527 -1.018 -16.246 228 2HB ASP 32 2HB ASP 32 9.986 -0.254 -15.661 229 H GLY 33 H GLY 33 6.396 0.038 -14.782 230 1HA GLY 33 1HA GLY 33 4.645 -1.962 -13.347 231 2HA GLY 33 2HA GLY 33 4.601 -2.109 -15.107 232 H GLY 34 H GLY 34 4.238 0.275 -12.485 233 1HA GLY 34 1HA GLY 34 1.692 1.395 -13.532 234 2HA GLY 34 2HA GLY 34 3.033 2.480 -13.914 235 H GLY 35 H GLY 35 1.634 0.656 -11.195 236 1HA GLY 35 1HA GLY 35 2.905 2.376 -9.072 237 2HA GLY 35 2HA GLY 35 1.185 2.711 -9.298 238 H ASP 36 H ASP 36 2.996 -0.348 -9.488 239 HA ASP 36 HA ASP 36 1.446 -1.488 -7.115 240 1HB ASP 36 1HB ASP 36 0.857 -3.545 -8.287 241 2HB ASP 36 2HB ASP 36 0.158 -2.160 -9.094 242 H ILE 37 H ILE 37 2.429 -3.400 -6.240 243 HA ILE 37 HA ILE 37 5.310 -4.040 -6.967 244 HB ILE 37 HB ILE 37 6.103 -3.779 -4.606 245 1HG1 ILE 37 1HG1 ILE 37 3.371 -2.456 -4.194 246 2HG1 ILE 37 2HG1 ILE 37 4.753 -1.810 -3.336 247 1HG2 ILE 37 1HG2 ILE 37 6.632 -1.347 -4.825 248 2HG2 ILE 37 2HG2 ILE 37 6.705 -2.133 -6.409 249 3HG2 ILE 37 3HG2 ILE 37 5.301 -1.125 -5.986 250 1HD1 ILE 37 1HD1 ILE 37 5.191 -3.953 -2.176 251 2HD1 ILE 37 2HD1 ILE 37 3.504 -3.447 -1.941 252 3HD1 ILE 37 3HD1 ILE 37 3.883 -4.747 -3.094 253 H SER 38 H SER 38 6.030 -5.945 -5.691 254 HA SER 38 HA SER 38 4.353 -8.250 -5.763 255 1HB SER 38 1HB SER 38 6.318 -8.232 -3.493 256 2HB SER 38 2HB SER 38 6.980 -7.834 -5.081 257 HG SER 38 HG SER 38 6.947 -10.060 -4.638 258 H THR 39 H THR 39 3.151 -9.364 -4.231 259 HA THR 39 HA THR 39 1.584 -7.667 -2.302 260 HB THR 39 HB THR 39 0.252 -9.881 -1.978 261 HG1 THR 39 HG1 THR 39 0.899 -10.684 -4.459 262 1HG2 THR 39 1HG2 THR 39 -1.122 -9.519 -3.981 263 2HG2 THR 39 2HG2 THR 39 -0.621 -7.936 -3.342 264 3HG2 THR 39 3HG2 THR 39 0.179 -8.612 -4.786 265 H LYS 40 H LYS 40 4.216 -9.902 -2.210 266 HA LYS 40 HA LYS 40 3.808 -10.760 0.652 267 1HB LYS 40 1HB LYS 40 5.807 -11.459 -1.553 268 2HB LYS 40 2HB LYS 40 6.213 -11.845 0.109 269 1HG LYS 40 1HG LYS 40 4.893 -13.697 0.090 270 2HG LYS 40 2HG LYS 40 3.492 -12.800 -0.463 271 1HD LYS 40 1HD LYS 40 3.955 -13.228 -2.788 272 2HD LYS 40 2HD LYS 40 5.656 -13.535 -2.479 273 1HE LYS 40 1HE LYS 40 4.212 -15.605 -3.050 274 2HE LYS 40 2HE LYS 40 3.472 -15.455 -1.455 275 1HZ LYS 40 1HZ LYS 40 5.486 -15.976 -0.419 276 2HZ LYS 40 2HZ LYS 40 5.526 -16.954 -1.751 277 3HZ LYS 40 3HZ LYS 40 6.423 -15.567 -1.717 278 H GLU 41 H GLU 41 5.636 -8.397 -1.171 279 HA GLU 41 HA GLU 41 7.801 -8.053 0.884 280 1HB GLU 41 1HB GLU 41 8.570 -6.187 -0.744 281 2HB GLU 41 2HB GLU 41 7.272 -6.694 -1.809 282 1HG GLU 41 1HG GLU 41 9.854 -8.143 -1.103 283 2HG GLU 41 2HG GLU 41 8.455 -9.148 -1.438 284 H LEU 42 H LEU 42 4.710 -6.569 0.336 285 HA LEU 42 HA LEU 42 4.954 -3.842 0.841 286 1HB LEU 42 1HB LEU 42 2.710 -3.977 0.852 287 2HB LEU 42 2HB LEU 42 2.755 -4.646 2.488 288 HG LEU 42 HG LEU 42 1.368 -6.080 1.209 289 1HD1 LEU 42 1HD1 LEU 42 4.050 -7.570 1.449 290 2HD1 LEU 42 2HD1 LEU 42 3.026 -7.168 2.836 291 3HD1 LEU 42 3HD1 LEU 42 2.412 -8.262 1.571 292 1HD2 LEU 42 1HD2 LEU 42 1.960 -7.228 -0.882 293 2HD2 LEU 42 2HD2 LEU 42 2.236 -5.484 -1.118 294 3HD2 LEU 42 3HD2 LEU 42 3.614 -6.564 -0.843 295 H GLY 43 H GLY 43 4.738 -6.379 3.346 296 1HA GLY 43 1HA GLY 43 5.051 -4.991 5.808 297 2HA GLY 43 2HA GLY 43 5.837 -6.546 5.503 298 H THR 44 H THR 44 7.794 -6.294 3.905 299 HA THR 44 HA THR 44 9.980 -5.258 5.251 300 HB THR 44 HB THR 44 9.660 -5.745 2.276 301 HG1 THR 44 HG1 THR 44 11.472 -6.923 4.052 302 1HG2 THR 44 1HG2 THR 44 12.128 -5.514 1.965 303 2HG2 THR 44 2HG2 THR 44 11.379 -3.946 2.333 304 3HG2 THR 44 3HG2 THR 44 12.284 -4.818 3.597 305 H VAL 45 H VAL 45 8.197 -3.545 2.673 306 HA VAL 45 HA VAL 45 9.893 -1.198 2.455 307 HB VAL 45 HB VAL 45 8.573 -0.809 0.727 308 1HG1 VAL 45 1HG1 VAL 45 6.391 -1.897 0.254 309 2HG1 VAL 45 2HG1 VAL 45 7.543 -3.094 0.860 310 3HG1 VAL 45 3HG1 VAL 45 6.269 -2.476 1.937 311 1HG2 VAL 45 1HG2 VAL 45 6.355 0.075 2.690 312 2HG2 VAL 45 2HG2 VAL 45 7.675 1.101 2.081 313 3HG2 VAL 45 3HG2 VAL 45 6.458 0.481 0.957 314 H MET 46 H MET 46 7.064 -1.874 4.515 315 HA MET 46 HA MET 46 6.864 0.762 5.788 316 1HB MET 46 1HB MET 46 5.146 -0.090 7.092 317 2HB MET 46 2HB MET 46 5.097 -1.171 5.712 318 1HG MET 46 1HG MET 46 5.546 -3.026 6.991 319 2HG MET 46 2HG MET 46 6.877 -2.236 7.851 320 1HE MET 46 1HE MET 46 4.136 -4.112 8.287 321 2HE MET 46 2HE MET 46 3.328 -3.617 9.804 322 3HE MET 46 3HE MET 46 2.745 -2.984 8.237 323 NH1 ARG 47 NH1 ARG 47 13.368 -4.127 11.508 324 NH2 ARG 47 NH2 ARG 47 13.900 -6.282 11.026 325 H ARG 47 H ARG 47 8.739 -2.135 6.467 326 HA ARG 47 HA ARG 47 9.533 -1.526 9.250 327 1HB ARG 47 1HB ARG 47 9.594 -3.845 8.292 328 2HB ARG 47 2HB ARG 47 10.874 -3.366 7.187 329 1HG ARG 47 1HG ARG 47 11.538 -2.764 10.042 330 2HG ARG 47 2HG ARG 47 11.264 -4.479 9.732 331 1HD ARG 47 1HD ARG 47 13.475 -2.684 8.704 332 2HD ARG 47 2HD ARG 47 12.872 -3.868 7.547 333 HE ARG 47 HE ARG 47 14.424 -5.271 8.766 334 1HH1 ARG 47 1HH1 ARG 47 13.888 -6.429 12.041 335 2HH1 ARG 47 2HH1 ARG 47 14.075 -6.990 10.304 336 1HH2 ARG 47 1HH2 ARG 47 13.083 -3.206 11.155 337 2HH2 ARG 47 2HH2 ARG 47 13.456 -4.408 12.491 338 H MET 48 H MET 48 11.001 -0.958 6.062 339 HA MET 48 HA MET 48 13.435 0.395 7.201 340 1HB MET 48 1HB MET 48 12.849 0.597 4.244 341 2HB MET 48 2HB MET 48 13.060 -1.023 4.885 342 1HG MET 48 1HG MET 48 15.180 0.993 5.694 343 2HG MET 48 2HG MET 48 15.143 0.507 3.992 344 1HE MET 48 1HE MET 48 14.384 -1.924 3.427 345 2HE MET 48 2HE MET 48 16.070 -2.514 3.335 346 3HE MET 48 3HE MET 48 14.873 -3.388 4.336 347 H LEU 49 H LEU 49 10.408 1.405 7.237 348 HA LEU 49 HA LEU 49 10.978 4.293 6.393 349 1HB LEU 49 1HB LEU 49 8.413 4.525 6.937 350 2HB LEU 49 2HB LEU 49 8.370 2.775 6.924 351 HG LEU 49 HG LEU 49 8.852 2.619 4.584 352 1HD1 LEU 49 1HD1 LEU 49 7.125 4.053 3.484 353 2HD1 LEU 49 2HD1 LEU 49 6.523 3.423 5.028 354 3HD1 LEU 49 3HD1 LEU 49 7.060 5.117 4.912 355 1HD2 LEU 49 1HD2 LEU 49 9.689 5.597 4.577 356 2HD2 LEU 49 2HD2 LEU 49 10.779 4.199 4.410 357 3HD2 LEU 49 3HD2 LEU 49 9.592 4.542 3.144 358 H GLY 50 H GLY 50 10.108 2.135 9.047 359 1HA GLY 50 1HA GLY 50 11.519 2.977 11.212 360 2HA GLY 50 2HA GLY 50 10.447 4.377 11.099 361 H GLN 51 H GLN 51 9.960 0.855 10.775 362 HA GLN 51 HA GLN 51 7.862 0.869 13.009 363 1HB GLN 51 1HB GLN 51 7.069 0.993 10.350 364 2HB GLN 51 2HB GLN 51 7.151 -0.745 10.583 365 1HG GLN 51 1HG GLN 51 5.074 -0.670 11.459 366 2HG GLN 51 2HG GLN 51 5.747 0.085 12.889 367 1HE2 GLN 51 1HE2 GLN 51 4.034 3.160 12.270 368 2HE2 GLN 51 2HE2 GLN 51 4.765 1.956 13.446 369 H ASN 52 H ASN 52 7.246 -1.416 13.532 370 HA ASN 52 HA ASN 52 9.583 -3.347 13.206 371 1HB ASN 52 1HB ASN 52 8.212 -2.478 15.796 372 2HB ASN 52 2HB ASN 52 9.132 -3.965 15.714 373 1HD2 ASN 52 1HD2 ASN 52 12.020 -1.987 16.532 374 2HD2 ASN 52 2HD2 ASN 52 10.910 -3.393 16.928 375 HA PRO 53 HA PRO 53 5.189 -5.453 12.693 376 1HB PRO 53 1HB PRO 53 5.293 -6.231 10.055 377 2HB PRO 53 2HB PRO 53 4.786 -4.620 10.585 378 1HG PRO 53 1HG PRO 53 6.509 -3.994 9.109 379 2HG PRO 53 2HG PRO 53 7.526 -5.412 9.454 380 1HD PRO 53 1HD PRO 53 8.621 -3.895 10.928 381 2HD PRO 53 2HD PRO 53 7.197 -2.814 11.003 382 H THR 54 H THR 54 5.183 -7.791 11.197 383 HA THR 54 HA THR 54 7.660 -9.412 11.689 384 HB THR 54 HB THR 54 6.938 -10.969 13.229 385 HG1 THR 54 HG1 THR 54 4.947 -11.544 13.554 386 1HG2 THR 54 1HG2 THR 54 6.011 -9.844 15.228 387 2HG2 THR 54 2HG2 THR 54 7.204 -8.784 14.443 388 3HG2 THR 54 3HG2 THR 54 5.462 -8.461 14.250 389 H LYS 55 H LYS 55 7.442 -11.586 10.769 390 HA LYS 55 HA LYS 55 6.268 -11.623 8.070 391 1HB LYS 55 1HB LYS 55 7.050 -14.157 9.600 392 2HB LYS 55 2HB LYS 55 8.282 -13.037 9.062 393 1HG LYS 55 1HG LYS 55 6.779 -15.068 7.548 394 2HG LYS 55 2HG LYS 55 6.619 -13.511 6.759 395 1HD LYS 55 1HD LYS 55 8.540 -14.514 5.728 396 2HD LYS 55 2HD LYS 55 9.182 -13.298 6.820 397 1HE LYS 55 1HE LYS 55 10.615 -15.080 7.308 398 2HE LYS 55 2HE LYS 55 9.416 -15.291 8.584 399 1HZ LYS 55 1HZ LYS 55 9.732 -16.856 6.090 400 2HZ LYS 55 2HZ LYS 55 9.659 -17.395 7.650 401 3HZ LYS 55 3HZ LYS 55 8.288 -16.867 6.893 402 H GLU 56 H GLU 56 5.238 -12.738 11.251 403 HA GLU 56 HA GLU 56 3.043 -14.495 10.465 404 1HB GLU 56 1HB GLU 56 3.820 -13.131 13.051 405 2HB GLU 56 2HB GLU 56 2.194 -13.772 12.925 406 1HG GLU 56 1HG GLU 56 2.970 -16.052 12.682 407 2HG GLU 56 2HG GLU 56 4.595 -15.557 12.239 408 H GLU 57 H GLU 57 3.105 -11.061 11.446 409 HA GLU 57 HA GLU 57 0.200 -10.564 11.143 410 1HB GLU 57 1HB GLU 57 0.834 -8.109 11.183 411 2HB GLU 57 2HB GLU 57 1.262 -9.058 12.595 412 1HG GLU 57 1HG GLU 57 3.667 -9.114 11.868 413 2HG GLU 57 2HG GLU 57 3.262 -8.263 10.384 414 H LEU 58 H LEU 58 3.019 -10.433 9.041 415 HA LEU 58 HA LEU 58 1.986 -9.016 6.739 416 1HB LEU 58 1HB LEU 58 4.400 -9.880 7.164 417 2HB LEU 58 2HB LEU 58 3.864 -11.438 6.570 418 HG LEU 58 HG LEU 58 3.064 -9.985 4.422 419 1HD1 LEU 58 1HD1 LEU 58 6.038 -10.697 4.816 420 2HD1 LEU 58 2HD1 LEU 58 4.780 -11.900 4.496 421 3HD1 LEU 58 3HD1 LEU 58 5.133 -10.645 3.282 422 1HD2 LEU 58 1HD2 LEU 58 4.562 -8.087 3.910 423 2HD2 LEU 58 2HD2 LEU 58 3.764 -7.762 5.470 424 3HD2 LEU 58 3HD2 LEU 58 5.450 -8.311 5.438 425 H ASP 59 H ASP 59 1.546 -12.327 7.861 426 HA ASP 59 HA ASP 59 0.322 -13.450 5.440 427 1HB ASP 59 1HB ASP 59 0.486 -14.407 8.323 428 2HB ASP 59 2HB ASP 59 -0.656 -15.178 7.245 429 H ALA 60 H ALA 60 -0.977 -11.927 8.371 430 HA ALA 60 HA ALA 60 -3.852 -12.336 7.885 431 1HB ALA 60 1HB ALA 60 -4.189 -10.518 9.552 432 2HB ALA 60 2HB ALA 60 -2.994 -11.701 10.117 433 3HB ALA 60 3HB ALA 60 -2.456 -10.114 9.510 434 H ILE 61 H ILE 61 -1.523 -9.810 6.980 435 HA ILE 61 HA ILE 61 -3.178 -7.819 5.830 436 HB ILE 61 HB ILE 61 -0.321 -8.581 5.430 437 1HG1 ILE 61 1HG1 ILE 61 -1.573 -5.772 5.690 438 2HG1 ILE 61 2HG1 ILE 61 -1.259 -6.786 7.081 439 1HG2 ILE 61 1HG2 ILE 61 0.048 -7.059 3.471 440 2HG2 ILE 61 2HG2 ILE 61 -1.001 -8.404 3.025 441 3HG2 ILE 61 3HG2 ILE 61 -1.708 -6.798 3.320 442 1HD1 ILE 61 1HD1 ILE 61 0.923 -5.735 5.186 443 2HD1 ILE 61 2HD1 ILE 61 0.588 -5.221 6.854 444 3HD1 ILE 61 3HD1 ILE 61 1.206 -6.861 6.543 445 H ILE 62 H ILE 62 -2.156 -10.950 4.593 446 HA ILE 62 HA ILE 62 -2.952 -10.585 1.766 447 HB ILE 62 HB ILE 62 -2.291 -13.090 3.382 448 1HG1 ILE 62 1HG1 ILE 62 -0.513 -11.242 2.398 449 2HG1 ILE 62 2HG1 ILE 62 -0.712 -12.189 0.939 450 1HG2 ILE 62 1HG2 ILE 62 -2.384 -14.424 1.260 451 2HG2 ILE 62 2HG2 ILE 62 -3.973 -13.764 1.641 452 3HG2 ILE 62 3HG2 ILE 62 -2.988 -13.004 0.370 453 1HD1 ILE 62 1HD1 ILE 62 0.067 -14.270 2.035 454 2HD1 ILE 62 2HD1 ILE 62 1.246 -12.962 2.263 455 3HD1 ILE 62 3HD1 ILE 62 0.178 -13.430 3.606 456 H GLU 63 H GLU 63 -4.510 -11.834 4.681 457 HA GLU 63 HA GLU 63 -6.894 -12.973 3.386 458 1HB GLU 63 1HB GLU 63 -5.973 -13.557 5.704 459 2HB GLU 63 2HB GLU 63 -6.703 -12.083 6.309 460 1HG GLU 63 1HG GLU 63 -8.025 -14.673 5.458 461 2HG GLU 63 2HG GLU 63 -8.922 -13.209 5.089 462 H GLU 64 H GLU 64 -6.034 -9.764 4.501 463 HA GLU 64 HA GLU 64 -8.869 -8.734 4.454 464 1HB GLU 64 1HB GLU 64 -6.963 -8.126 6.173 465 2HB GLU 64 2HB GLU 64 -6.423 -6.988 4.954 466 1HG GLU 64 1HG GLU 64 -8.888 -6.036 4.989 467 2HG GLU 64 2HG GLU 64 -9.115 -6.995 6.442 468 H VAL 65 H VAL 65 -5.950 -8.619 2.509 469 HA VAL 65 HA VAL 65 -6.872 -6.328 0.786 470 HB VAL 65 HB VAL 65 -4.772 -6.503 -0.422 471 1HG1 VAL 65 1HG1 VAL 65 -3.959 -8.950 1.276 472 2HG1 VAL 65 2HG1 VAL 65 -4.562 -9.063 -0.388 473 3HG1 VAL 65 3HG1 VAL 65 -3.043 -8.198 -0.053 474 1HG2 VAL 65 1HG2 VAL 65 -3.190 -5.865 1.332 475 2HG2 VAL 65 2HG2 VAL 65 -4.795 -5.332 1.886 476 3HG2 VAL 65 3HG2 VAL 65 -4.070 -6.792 2.572 477 H ASP 66 H ASP 66 -6.007 -9.776 0.276 478 HA ASP 66 HA ASP 66 -7.435 -9.800 -2.392 479 1HB ASP 66 1HB ASP 66 -5.678 -11.972 -1.110 480 2HB ASP 66 2HB ASP 66 -5.130 -10.756 -2.241 481 H GLU 67 H GLU 67 -9.186 -9.419 -0.404 482 HA GLU 67 HA GLU 67 -10.572 -11.991 0.346 483 1HB GLU 67 1HB GLU 67 -10.890 -10.457 2.045 484 2HB GLU 67 2HB GLU 67 -11.012 -9.076 0.973 485 1HG GLU 67 1HG GLU 67 -13.345 -10.099 0.227 486 2HG GLU 67 2HG GLU 67 -13.191 -11.140 1.633 487 H ASP 68 H ASP 68 -11.101 -9.178 -1.780 488 HA ASP 68 HA ASP 68 -12.424 -10.877 -3.886 489 1HB ASP 68 1HB ASP 68 -14.340 -10.391 -2.358 490 2HB ASP 68 2HB ASP 68 -14.556 -9.780 -3.982 491 H GLY 69 H GLY 69 -10.011 -9.362 -3.651 492 1HA GLY 69 1HA GLY 69 -10.457 -6.915 -5.461 493 2HA GLY 69 2HA GLY 69 -9.060 -7.115 -4.399 494 H SER 70 H SER 70 -7.313 -8.199 -5.066 495 HA SER 70 HA SER 70 -7.259 -10.015 -7.461 496 1HB SER 70 1HB SER 70 -7.230 -7.425 -8.201 497 2HB SER 70 2HB SER 70 -5.508 -7.573 -7.837 498 HG SER 70 HG SER 70 -6.662 -9.661 -9.265 499 H GLY 71 H GLY 71 -4.675 -10.126 -8.041 500 1HA GLY 71 1HA GLY 71 -3.358 -11.093 -5.461 501 2HA GLY 71 2HA GLY 71 -2.912 -11.604 -7.092 502 H THR 72 H THR 72 -3.466 -8.258 -6.151 503 HA THR 72 HA THR 72 -0.539 -7.583 -6.015 504 HB THR 72 HB THR 72 -0.861 -5.720 -7.798 505 HG1 THR 72 HG1 THR 72 -2.344 -6.089 -9.297 506 1HG2 THR 72 1HG2 THR 72 0.498 -8.049 -8.069 507 2HG2 THR 72 2HG2 THR 72 -0.781 -8.380 -9.257 508 3HG2 THR 72 3HG2 THR 72 0.261 -6.944 -9.441 509 H ILE 73 H ILE 73 -0.282 -5.183 -5.618 510 HA ILE 73 HA ILE 73 -2.655 -3.894 -4.293 511 HB ILE 73 HB ILE 73 -1.296 -5.293 -2.575 512 1HG1 ILE 73 1HG1 ILE 73 -2.518 -4.195 -1.023 513 2HG1 ILE 73 2HG1 ILE 73 -3.070 -3.203 -2.360 514 1HG2 ILE 73 1HG2 ILE 73 0.568 -4.207 -1.378 515 2HG2 ILE 73 2HG2 ILE 73 1.016 -4.401 -3.079 516 3HG2 ILE 73 3HG2 ILE 73 0.525 -2.802 -2.469 517 1HD1 ILE 73 1HD1 ILE 73 -1.251 -2.419 -0.100 518 2HD1 ILE 73 2HD1 ILE 73 -0.799 -1.777 -1.694 519 3HD1 ILE 73 3HD1 ILE 73 -2.418 -1.443 -1.033 520 H ASP 74 H ASP 74 -2.588 -1.677 -4.289 521 HA ASP 74 HA ASP 74 -0.459 -0.418 -6.104 522 1HB ASP 74 1HB ASP 74 -1.948 0.764 -7.259 523 2HB ASP 74 2HB ASP 74 -2.819 1.239 -5.831 524 H PHE 75 H PHE 75 -0.990 2.204 -5.645 525 HA PHE 75 HA PHE 75 0.541 2.588 -3.111 526 1HB PHE 75 1HB PHE 75 -0.298 4.857 -4.986 527 2HB PHE 75 2HB PHE 75 0.943 3.731 -5.471 528 HD1 PHE 75 HD1 PHE 75 1.866 6.410 -5.382 529 HD2 PHE 75 HD2 PHE 75 1.458 3.734 -2.036 530 HE1 PHE 75 HE1 PHE 75 3.321 7.862 -4.030 531 HE2 PHE 75 HE2 PHE 75 2.910 5.206 -0.697 532 HZ PHE 75 HZ PHE 75 3.870 7.248 -1.699 533 H GLU 76 H GLU 76 -2.677 3.196 -4.375 534 HA GLU 76 HA GLU 76 -3.648 5.120 -2.389 535 1HB GLU 76 1HB GLU 76 -5.093 3.236 -4.301 536 2HB GLU 76 2HB GLU 76 -5.987 4.165 -3.115 537 1HG GLU 76 1HG GLU 76 -6.004 5.353 -5.267 538 2HG GLU 76 2HG GLU 76 -5.121 6.313 -4.092 539 H GLU 77 H GLU 77 -4.704 1.730 -2.733 540 HA GLU 77 HA GLU 77 -5.693 1.200 -0.099 541 1HB GLU 77 1HB GLU 77 -4.703 -1.262 -0.608 542 2HB GLU 77 2HB GLU 77 -4.504 -0.599 -2.218 543 1HG GLU 77 1HG GLU 77 -7.153 -0.831 -0.653 544 2HG GLU 77 2HG GLU 77 -7.019 0.039 -2.172 545 H PHE 78 H PHE 78 -2.387 1.350 -1.289 546 HA PHE 78 HA PHE 78 -0.965 0.049 0.875 547 1HB PHE 78 1HB PHE 78 0.341 0.377 -1.040 548 2HB PHE 78 2HB PHE 78 -0.170 2.027 -1.282 549 HD1 PHE 78 HD1 PHE 78 0.984 0.935 2.111 550 HD2 PHE 78 HD2 PHE 78 2.160 2.816 -1.575 551 HE1 PHE 78 HE1 PHE 78 3.124 1.608 3.124 552 HE2 PHE 78 HE2 PHE 78 4.354 3.350 -0.590 553 HZ PHE 78 HZ PHE 78 4.838 2.751 1.758 554 H LEU 79 H LEU 79 -1.800 3.478 0.358 555 HA LEU 79 HA LEU 79 -0.627 4.557 2.852 556 1HB LEU 79 1HB LEU 79 -2.240 6.533 2.381 557 2HB LEU 79 2HB LEU 79 -2.770 5.668 0.955 558 HG LEU 79 HG LEU 79 -0.579 5.841 -0.110 559 1HD1 LEU 79 1HD1 LEU 79 -0.293 8.318 -0.274 560 2HD1 LEU 79 2HD1 LEU 79 -2.014 7.887 -0.274 561 3HD1 LEU 79 3HD1 LEU 79 -1.268 8.555 1.199 562 1HD2 LEU 79 1HD2 LEU 79 0.506 7.030 2.531 563 2HD2 LEU 79 2HD2 LEU 79 0.930 5.444 1.840 564 3HD2 LEU 79 3HD2 LEU 79 1.404 6.925 0.995 565 H VAL 80 H VAL 80 -3.706 3.137 1.914 566 HA VAL 80 HA VAL 80 -5.339 3.971 4.188 567 HB VAL 80 HB VAL 80 -5.686 1.597 2.294 568 1HG1 VAL 80 1HG1 VAL 80 -8.029 1.376 3.147 569 2HG1 VAL 80 2HG1 VAL 80 -6.860 1.023 4.427 570 3HG1 VAL 80 3HG1 VAL 80 -7.703 2.589 4.412 571 1HG2 VAL 80 1HG2 VAL 80 -7.227 4.271 2.426 572 2HG2 VAL 80 2HG2 VAL 80 -6.008 3.849 1.200 573 3HG2 VAL 80 3HG2 VAL 80 -7.523 2.937 1.284 574 H MET 81 H MET 81 -3.133 1.281 3.616 575 HA MET 81 HA MET 81 -3.847 -0.342 5.990 576 1HB MET 81 1HB MET 81 -2.518 -0.975 3.714 577 2HB MET 81 2HB MET 81 -2.412 -1.909 5.195 578 1HG MET 81 1HG MET 81 -0.369 0.322 4.856 579 2HG MET 81 2HG MET 81 -0.211 -1.106 3.821 580 1HE MET 81 1HE MET 81 2.061 -3.062 5.887 581 2HE MET 81 2HE MET 81 1.626 -2.238 4.360 582 3HE MET 81 3HE MET 81 2.440 -1.325 5.664 583 H MET 82 H MET 82 -1.446 2.142 5.241 584 HA MET 82 HA MET 82 0.253 1.852 7.616 585 1HB MET 82 1HB MET 82 1.205 4.064 7.041 586 2HB MET 82 2HB MET 82 -0.120 4.398 5.941 587 1HG MET 82 1HG MET 82 0.767 2.063 4.784 588 2HG MET 82 2HG MET 82 1.384 3.666 4.353 589 1HE MET 82 1HE MET 82 3.169 4.895 5.744 590 2HE MET 82 2HE MET 82 3.328 4.213 7.390 591 3HE MET 82 3HE MET 82 4.691 4.088 6.239 592 H VAL 83 H VAL 83 -2.289 4.236 6.806 593 HA VAL 83 HA VAL 83 -2.418 5.635 9.353 594 HB VAL 83 HB VAL 83 -4.391 5.356 7.070 595 1HG1 VAL 83 1HG1 VAL 83 -3.159 7.894 8.311 596 2HG1 VAL 83 2HG1 VAL 83 -2.403 7.001 6.984 597 3HG1 VAL 83 3HG1 VAL 83 -4.004 7.740 6.749 598 1HG2 VAL 83 1HG2 VAL 83 -6.071 6.775 8.128 599 2HG2 VAL 83 2HG2 VAL 83 -5.794 5.415 9.240 600 3HG2 VAL 83 3HG2 VAL 83 -5.078 6.994 9.592 601 NH1 ARG 84 NH1 ARG 84 -9.843 0.664 6.446 602 NH2 ARG 84 NH2 ARG 84 -9.135 -1.271 5.492 603 H ARG 84 H ARG 84 -3.887 2.654 8.163 604 HA ARG 84 HA ARG 84 -5.866 2.056 10.229 605 1HB ARG 84 1HB ARG 84 -4.302 -0.294 9.209 606 2HB ARG 84 2HB ARG 84 -4.952 0.749 7.951 607 1HG ARG 84 1HG ARG 84 -6.414 -1.262 8.863 608 2HG ARG 84 2HG ARG 84 -6.789 -0.191 10.214 609 1HD ARG 84 1HD ARG 84 -8.528 0.499 8.850 610 2HD ARG 84 2HD ARG 84 -7.307 1.577 8.176 611 HE ARG 84 HE ARG 84 -6.923 -0.516 6.472 612 1HH1 ARG 84 1HH1 ARG 84 -10.008 -1.234 4.955 613 2HH1 ARG 84 2HH1 ARG 84 -8.423 -2.010 5.459 614 1HH2 ARG 84 1HH2 ARG 84 -9.689 1.383 7.162 615 2HH2 ARG 84 2HH2 ARG 84 -10.650 0.588 5.816 616 H GLN 85 H GLN 85 -2.391 1.246 9.982 617 HA GLN 85 HA GLN 85 -2.143 -0.324 12.435 618 1HB GLN 85 1HB GLN 85 -0.442 0.148 10.361 619 2HB GLN 85 2HB GLN 85 0.219 1.315 11.494 620 1HG GLN 85 1HG GLN 85 1.523 -0.462 12.122 621 2HG GLN 85 2HG GLN 85 0.187 -0.782 13.207 622 1HE2 GLN 85 1HE2 GLN 85 -0.917 -3.301 10.395 623 2HE2 GLN 85 2HE2 GLN 85 -1.598 -1.690 10.950 624 H MET 86 H MET 86 -1.393 3.099 11.746 625 HA MET 86 HA MET 86 -0.391 3.934 14.318 626 1HB MET 86 1HB MET 86 -1.264 5.291 11.870 627 2HB MET 86 2HB MET 86 -1.855 6.171 13.268 628 1HG MET 86 1HG MET 86 0.970 5.434 13.712 629 2HG MET 86 2HG MET 86 0.782 6.255 12.154 630 1HE MET 86 1HE MET 86 2.024 9.023 14.713 631 2HE MET 86 2HE MET 86 1.972 7.437 15.539 632 3HE MET 86 3HE MET 86 2.555 7.544 13.852 633 H LYS 87 H LYS 87 -3.693 3.643 13.095 634 HA LYS 87 HA LYS 87 -5.160 4.916 15.305 635 1HB LYS 87 1HB LYS 87 -6.014 4.069 12.915 636 2HB LYS 87 2HB LYS 87 -6.345 2.566 13.750 637 1HG LYS 87 1HG LYS 87 -8.132 3.443 14.947 638 2HG LYS 87 2HG LYS 87 -8.222 4.417 13.493 639 1HD LYS 87 1HD LYS 87 -7.317 5.248 16.295 640 2HD LYS 87 2HD LYS 87 -6.660 6.104 14.909 641 1HE LYS 87 1HE LYS 87 -8.722 7.060 14.278 642 2HE LYS 87 2HE LYS 87 -9.693 5.783 15.013 643 1HZ LYS 87 1HZ LYS 87 -9.402 6.715 17.127 644 2HZ LYS 87 2HZ LYS 87 -8.064 7.589 16.711 645 3HZ LYS 87 3HZ LYS 87 -9.554 8.053 16.170 646 H GLU 88 H GLU 88 -4.231 1.532 14.627 647 HA GLU 88 HA GLU 88 -3.729 -0.312 16.092 648 1HB GLU 88 1HB GLU 88 -2.664 1.712 17.458 649 2HB GLU 88 2HB GLU 88 -4.017 1.461 18.542 650 1HG GLU 88 1HG GLU 88 -2.383 -1.000 17.798 651 2HG GLU 88 2HG GLU 88 -1.607 0.198 18.820 652 H ASP 89 H ASP 89 -5.928 -0.718 15.165 653 HA ASP 89 HA ASP 89 -8.395 -0.263 16.737 654 1HB ASP 89 1HB ASP 89 -7.934 -1.007 14.099 655 2HB ASP 89 2HB ASP 89 -8.447 -2.533 14.784 656 H ALA 90 H ALA 90 -6.147 -2.973 16.298 657 HA ALA 90 HA ALA 90 -6.854 -4.235 18.933 658 1HB ALA 90 1HB ALA 90 -7.292 -6.185 16.663 659 2HB ALA 90 2HB ALA 90 -8.090 -6.085 18.245 660 3HB ALA 90 3HB ALA 90 -8.598 -5.003 16.925 Start of MODEL 12 Raw file had 660 H/Q atoms Start of MODEL 12 1 1H ALA 1 1H ALA 1 -22.867 1.197 1.971 2 2H ALA 1 2H ALA 1 -23.182 2.775 1.481 3 3H ALA 1 3H ALA 1 -23.901 1.486 0.676 4 HA ALA 1 HA ALA 1 -22.180 1.064 -0.598 5 1HB ALA 1 1HB ALA 1 -22.249 3.282 -1.303 6 2HB ALA 1 2HB ALA 1 -21.936 3.949 0.311 7 3HB ALA 1 3HB ALA 1 -20.590 3.292 -0.657 8 H SER 2 H SER 2 -21.027 2.514 2.454 9 HA SER 2 HA SER 2 -19.358 1.776 4.037 10 1HB SER 2 1HB SER 2 -20.258 -0.563 3.089 11 2HB SER 2 2HB SER 2 -18.657 -0.645 2.349 12 HG SER 2 HG SER 2 -18.992 -1.457 4.572 13 H MET 3 H MET 3 -17.570 2.911 4.109 14 HA MET 3 HA MET 3 -15.591 4.135 3.474 15 1HB MET 3 1HB MET 3 -13.860 2.843 2.178 16 2HB MET 3 2HB MET 3 -15.028 1.567 1.887 17 1HG MET 3 1HG MET 3 -13.240 1.520 3.966 18 2HG MET 3 2HG MET 3 -14.595 2.300 4.798 19 1HE MET 3 1HE MET 3 -15.226 -1.049 6.252 20 2HE MET 3 2HE MET 3 -13.649 -1.261 5.435 21 3HE MET 3 3HE MET 3 -14.036 0.291 6.235 22 H THR 4 H THR 4 -17.850 4.891 2.226 23 HA THR 4 HA THR 4 -18.053 4.976 -0.643 24 HB THR 4 HB THR 4 -18.744 7.155 1.383 25 HG1 THR 4 HG1 THR 4 -20.739 5.972 0.041 26 1HG2 THR 4 1HG2 THR 4 -20.198 8.209 -0.307 27 2HG2 THR 4 2HG2 THR 4 -18.512 8.278 -0.869 28 3HG2 THR 4 3HG2 THR 4 -19.642 7.094 -1.575 29 H ASP 5 H ASP 5 -15.792 6.511 1.545 30 HA ASP 5 HA ASP 5 -13.901 7.215 -0.625 31 1HB ASP 5 1HB ASP 5 -15.816 9.224 -0.228 32 2HB ASP 5 2HB ASP 5 -14.501 9.770 0.787 33 H GLN 6 H GLN 6 -13.341 5.551 1.180 34 HA GLN 6 HA GLN 6 -12.002 6.740 3.624 35 1HB GLN 6 1HB GLN 6 -13.113 4.257 3.200 36 2HB GLN 6 2HB GLN 6 -11.441 3.896 2.806 37 1HG GLN 6 1HG GLN 6 -10.647 4.341 4.997 38 2HG GLN 6 2HG GLN 6 -12.156 3.488 5.247 39 1HE2 GLN 6 1HE2 GLN 6 -13.839 6.472 6.595 40 2HE2 GLN 6 2HE2 GLN 6 -14.100 4.864 5.752 41 H GLN 7 H GLN 7 -11.244 5.489 0.414 42 HA GLN 7 HA GLN 7 -8.405 5.262 0.357 43 1HB GLN 7 1HB GLN 7 -9.616 6.770 -1.968 44 2HB GLN 7 2HB GLN 7 -8.467 5.443 -1.946 45 1HG GLN 7 1HG GLN 7 -11.510 5.285 -1.649 46 2HG GLN 7 2HG GLN 7 -10.512 4.591 -2.910 47 1HE2 GLN 7 1HE2 GLN 7 -9.259 2.105 -0.219 48 2HE2 GLN 7 2HE2 GLN 7 -8.478 3.392 -1.269 49 H ALA 8 H ALA 8 -10.319 8.247 -0.183 50 HA ALA 8 HA ALA 8 -7.927 10.022 -0.316 51 1HB ALA 8 1HB ALA 8 -10.049 11.769 -0.094 52 2HB ALA 8 2HB ALA 8 -9.512 11.030 -1.615 53 3HB ALA 8 3HB ALA 8 -10.886 10.330 -0.723 54 H GLU 9 H GLU 9 -10.259 9.018 2.110 55 HA GLU 9 HA GLU 9 -10.189 11.078 4.076 56 1HB GLU 9 1HB GLU 9 -10.755 8.150 4.166 57 2HB GLU 9 2HB GLU 9 -10.225 8.817 5.698 58 1HG GLU 9 1HG GLU 9 -12.496 10.166 4.124 59 2HG GLU 9 2HG GLU 9 -12.808 8.746 5.109 60 H ALA 10 H ALA 10 -7.893 8.397 3.592 61 HA ALA 10 HA ALA 10 -6.216 8.786 5.947 62 1HB ALA 10 1HB ALA 10 -4.541 7.375 4.763 63 2HB ALA 10 2HB ALA 10 -6.171 6.689 4.627 64 3HB ALA 10 3HB ALA 10 -5.442 7.530 3.235 65 NH1 ARG 11 NH1 ARG 11 -4.873 13.367 -3.637 66 NH2 ARG 11 NH2 ARG 11 -7.100 13.225 -3.209 67 H ARG 11 H ARG 11 -6.096 10.130 2.670 68 HA ARG 11 HA ARG 11 -3.468 11.385 2.683 69 1HB ARG 11 1HB ARG 11 -4.376 11.326 0.537 70 2HB ARG 11 2HB ARG 11 -5.992 11.759 1.074 71 1HG ARG 11 1HG ARG 11 -5.589 14.071 1.066 72 2HG ARG 11 2HG ARG 11 -3.855 13.902 1.349 73 1HD ARG 11 1HD ARG 11 -3.937 12.695 -1.104 74 2HD ARG 11 2HD ARG 11 -3.715 14.432 -0.909 75 HE ARG 11 HE ARG 11 -6.474 14.346 -1.069 76 1HH1 ARG 11 1HH1 ARG 11 -5.115 13.054 -4.584 77 2HH1 ARG 11 2HH1 ARG 11 -3.936 13.591 -3.285 78 1HH2 ARG 11 1HH2 ARG 11 -7.858 13.306 -2.523 79 2HH2 ARG 11 2HH2 ARG 11 -7.189 12.956 -4.195 80 H ALA 12 H ALA 12 -6.620 12.430 3.876 81 HA ALA 12 HA ALA 12 -6.119 15.267 4.301 82 1HB ALA 12 1HB ALA 12 -8.058 15.229 5.856 83 2HB ALA 12 2HB ALA 12 -8.406 14.320 4.372 84 3HB ALA 12 3HB ALA 12 -8.042 13.449 5.882 85 H PHE 13 H PHE 13 -5.365 12.409 6.221 86 HA PHE 13 HA PHE 13 -4.716 13.757 8.756 87 1HB PHE 13 1HB PHE 13 -3.745 10.991 7.824 88 2HB PHE 13 2HB PHE 13 -5.343 11.285 8.460 89 HD1 PHE 13 HD1 PHE 13 -5.679 11.619 10.903 90 HD2 PHE 13 HD2 PHE 13 -1.690 11.281 9.319 91 HE1 PHE 13 HE1 PHE 13 -4.802 11.209 13.166 92 HE2 PHE 13 HE2 PHE 13 -0.832 10.889 11.590 93 HZ PHE 13 HZ PHE 13 -2.385 10.816 13.511 94 H LEU 14 H LEU 14 -2.657 12.252 6.245 95 HA LEU 14 HA LEU 14 -0.118 13.410 7.316 96 1HB LEU 14 1HB LEU 14 0.201 11.289 6.345 97 2HB LEU 14 2HB LEU 14 0.896 12.405 5.189 98 HG LEU 14 HG LEU 14 -1.903 11.145 4.898 99 1HD1 LEU 14 1HD1 LEU 14 0.681 10.363 3.404 100 2HD1 LEU 14 2HD1 LEU 14 -0.002 9.448 4.762 101 3HD1 LEU 14 3HD1 LEU 14 -0.921 9.599 3.243 102 1HD2 LEU 14 1HD2 LEU 14 -1.920 12.016 2.598 103 2HD2 LEU 14 2HD2 LEU 14 -1.563 13.385 3.680 104 3HD2 LEU 14 3HD2 LEU 14 -0.255 12.632 2.754 105 H SER 15 H SER 15 1.247 14.828 6.112 106 HA SER 15 HA SER 15 -0.126 17.201 4.975 107 1HB SER 15 1HB SER 15 2.443 17.850 4.538 108 2HB SER 15 2HB SER 15 2.748 16.494 5.627 109 HG SER 15 HG SER 15 2.318 18.755 6.442 110 H GLU 16 H GLU 16 0.772 18.182 2.910 111 HA GLU 16 HA GLU 16 0.243 16.340 0.629 112 1HB GLU 16 1HB GLU 16 1.207 19.165 0.145 113 2HB GLU 16 2HB GLU 16 -0.318 18.961 0.984 114 1HG GLU 16 1HG GLU 16 -1.170 17.544 -0.972 115 2HG GLU 16 2HG GLU 16 0.347 17.828 -1.809 116 H GLU 17 H GLU 17 3.008 17.961 2.067 117 HA GLU 17 HA GLU 17 4.922 17.340 -0.162 118 1HB GLU 17 1HB GLU 17 5.599 18.416 2.625 119 2HB GLU 17 2HB GLU 17 6.679 18.341 1.246 120 1HG GLU 17 1HG GLU 17 5.807 20.257 0.271 121 2HG GLU 17 2HG GLU 17 4.148 19.860 0.685 122 H MET 18 H MET 18 4.025 16.059 2.993 123 HA MET 18 HA MET 18 6.152 14.139 3.459 124 1HB MET 18 1HB MET 18 4.464 14.731 5.196 125 2HB MET 18 2HB MET 18 3.201 13.924 4.285 126 1HG MET 18 1HG MET 18 3.798 11.823 5.037 127 2HG MET 18 2HG MET 18 5.534 12.132 4.872 128 1HE MET 18 1HE MET 18 5.780 10.784 7.685 129 2HE MET 18 2HE MET 18 4.333 11.140 8.673 130 3HE MET 18 3HE MET 18 4.143 10.502 7.013 131 H ILE 19 H ILE 19 3.246 14.031 1.469 132 HA ILE 19 HA ILE 19 3.127 11.235 0.729 133 HB ILE 19 HB ILE 19 2.367 13.670 -0.961 134 1HG1 ILE 19 1HG1 ILE 19 0.780 11.896 0.980 135 2HG1 ILE 19 2HG1 ILE 19 0.898 13.642 0.948 136 1HG2 ILE 19 1HG2 ILE 19 1.065 12.112 -2.427 137 2HG2 ILE 19 2HG2 ILE 19 2.779 11.702 -2.471 138 3HG2 ILE 19 3HG2 ILE 19 1.662 10.709 -1.506 139 1HD1 ILE 19 1HD1 ILE 19 -0.681 11.982 -1.103 140 2HD1 ILE 19 2HD1 ILE 19 -1.325 13.024 0.183 141 3HD1 ILE 19 3HD1 ILE 19 -0.449 13.750 -1.186 142 H ALA 20 H ALA 20 5.029 13.936 -0.590 143 HA ALA 20 HA ALA 20 6.219 12.837 -2.911 144 1HB ALA 20 1HB ALA 20 8.024 14.443 -1.074 145 2HB ALA 20 2HB ALA 20 7.770 14.582 -2.824 146 3HB ALA 20 3HB ALA 20 6.542 15.208 -1.695 147 H GLU 21 H GLU 21 7.123 12.303 0.476 148 HA GLU 21 HA GLU 21 9.619 10.791 -0.081 149 1HB GLU 21 1HB GLU 21 8.239 10.579 2.605 150 2HB GLU 21 2HB GLU 21 8.807 12.156 2.096 151 1HG GLU 21 1HG GLU 21 10.640 11.343 3.338 152 2HG GLU 21 2HG GLU 21 10.410 9.680 2.826 153 H PHE 22 H PHE 22 6.284 9.983 0.829 154 HA PHE 22 HA PHE 22 6.468 7.173 1.348 155 1HB PHE 22 1HB PHE 22 4.024 7.086 0.362 156 2HB PHE 22 2HB PHE 22 4.179 8.807 0.126 157 HD1 PHE 22 HD1 PHE 22 5.877 9.379 2.730 158 HD2 PHE 22 HD2 PHE 22 2.318 7.052 2.060 159 HE1 PHE 22 HE1 PHE 22 5.169 9.774 5.051 160 HE2 PHE 22 HE2 PHE 22 1.626 7.463 4.385 161 HZ PHE 22 HZ PHE 22 3.048 8.817 5.885 162 H LYS 23 H LYS 23 5.751 8.778 -1.765 163 HA LYS 23 HA LYS 23 5.664 6.334 -3.409 164 1HB LYS 23 1HB LYS 23 4.664 8.677 -3.956 165 2HB LYS 23 2HB LYS 23 5.293 7.702 -5.268 166 1HG LYS 23 1HG LYS 23 7.312 9.575 -4.076 167 2HG LYS 23 2HG LYS 23 7.018 9.164 -5.755 168 1HD LYS 23 1HD LYS 23 6.240 11.569 -4.340 169 2HD LYS 23 2HD LYS 23 6.061 11.179 -6.042 170 1HE LYS 23 1HE LYS 23 3.980 10.449 -3.890 171 2HE LYS 23 2HE LYS 23 3.872 11.843 -4.967 172 1HZ LYS 23 1HZ LYS 23 4.238 9.230 -6.247 173 2HZ LYS 23 2HZ LYS 23 2.776 9.505 -5.528 174 3HZ LYS 23 3HZ LYS 23 3.313 10.514 -6.720 175 H ALA 24 H ALA 24 8.182 8.619 -2.475 176 HA ALA 24 HA ALA 24 10.378 8.085 -4.170 177 1HB ALA 24 1HB ALA 24 11.879 8.598 -2.254 178 2HB ALA 24 2HB ALA 24 10.500 9.712 -2.305 179 3HB ALA 24 3HB ALA 24 10.536 8.394 -1.105 180 H ALA 25 H ALA 25 9.461 6.202 -1.269 181 HA ALA 25 HA ALA 25 11.550 4.106 -1.678 182 1HB ALA 25 1HB ALA 25 10.567 3.044 0.346 183 2HB ALA 25 2HB ALA 25 10.878 4.769 0.613 184 3HB ALA 25 3HB ALA 25 9.213 4.199 0.334 185 H PHE 26 H PHE 26 8.120 4.520 -2.330 186 HA PHE 26 HA PHE 26 7.203 1.863 -2.858 187 1HB PHE 26 1HB PHE 26 6.402 4.324 -4.519 188 2HB PHE 26 2HB PHE 26 5.830 4.041 -2.896 189 HD1 PHE 26 HD1 PHE 26 6.336 1.345 -5.507 190 HD2 PHE 26 HD2 PHE 26 3.472 3.748 -3.378 191 HE1 PHE 26 HE1 PHE 26 4.495 0.021 -6.467 192 HE2 PHE 26 HE2 PHE 26 1.642 2.454 -4.398 193 HZ PHE 26 HZ PHE 26 2.150 0.559 -5.900 194 H ASP 27 H ASP 27 9.124 4.055 -4.863 195 HA ASP 27 HA ASP 27 9.028 2.440 -7.344 196 1HB ASP 27 1HB ASP 27 9.539 5.031 -7.056 197 2HB ASP 27 2HB ASP 27 11.196 4.520 -6.831 198 H MET 28 H MET 28 11.199 2.708 -4.585 199 HA MET 28 HA MET 28 13.604 1.466 -5.521 200 1HB MET 28 1HB MET 28 13.671 0.442 -3.020 201 2HB MET 28 2HB MET 28 12.330 1.544 -2.770 202 1HG MET 28 1HG MET 28 15.110 2.403 -3.801 203 2HG MET 28 2HG MET 28 13.749 3.493 -3.491 204 1HE MET 28 1HE MET 28 16.515 1.218 -2.138 205 2HE MET 28 2HE MET 28 16.383 1.310 -0.357 206 3HE MET 28 3HE MET 28 15.254 0.278 -1.282 207 H PHE 29 H PHE 29 10.531 0.024 -4.569 208 HA PHE 29 HA PHE 29 11.493 -2.825 -4.915 209 1HB PHE 29 1HB PHE 29 8.752 -1.656 -4.140 210 2HB PHE 29 2HB PHE 29 8.963 -3.343 -4.521 211 HD1 PHE 29 HD1 PHE 29 11.524 -1.316 -2.638 212 HD2 PHE 29 HD2 PHE 29 8.421 -4.288 -2.366 213 HE1 PHE 29 HE1 PHE 29 12.220 -1.850 -0.338 214 HE2 PHE 29 HE2 PHE 29 9.129 -4.799 -0.065 215 HZ PHE 29 HZ PHE 29 11.022 -3.584 0.952 216 H ASP 30 H ASP 30 9.322 -0.478 -6.468 217 HA ASP 30 HA ASP 30 9.110 -2.267 -8.945 218 1HB ASP 30 1HB ASP 30 6.890 -1.846 -8.159 219 2HB ASP 30 2HB ASP 30 7.201 -0.153 -7.851 220 H ALA 31 H ALA 31 10.997 -1.734 -9.922 221 HA ALA 31 HA ALA 31 12.105 1.000 -10.209 222 1HB ALA 31 1HB ALA 31 13.768 -0.073 -11.734 223 2HB ALA 31 2HB ALA 31 13.582 -0.981 -10.221 224 3HB ALA 31 3HB ALA 31 12.842 -1.592 -11.723 225 H ASP 32 H ASP 32 10.413 -1.257 -12.392 226 HA ASP 32 HA ASP 32 9.303 1.066 -14.009 227 1HB ASP 32 1HB ASP 32 10.274 -1.272 -15.666 228 2HB ASP 32 2HB ASP 32 10.002 0.395 -16.120 229 H GLY 33 H GLY 33 7.209 0.838 -14.110 230 1HA GLY 33 1HA GLY 33 5.612 -1.338 -13.010 231 2HA GLY 33 2HA GLY 33 5.763 -1.653 -14.742 232 H GLY 34 H GLY 34 4.881 0.912 -12.431 233 1HA GLY 34 1HA GLY 34 2.412 1.690 -13.942 234 2HA GLY 34 2HA GLY 34 3.697 2.890 -14.115 235 H GLY 35 H GLY 35 2.883 0.842 -11.321 236 1HA GLY 35 1HA GLY 35 3.326 2.608 -9.144 237 2HA GLY 35 2HA GLY 35 1.734 3.112 -9.720 238 H ASP 36 H ASP 36 3.235 -0.112 -9.541 239 HA ASP 36 HA ASP 36 1.417 -1.029 -7.320 240 1HB ASP 36 1HB ASP 36 0.412 -2.930 -8.544 241 2HB ASP 36 2HB ASP 36 -0.120 -1.381 -9.157 242 H ILE 37 H ILE 37 2.123 -2.932 -6.370 243 HA ILE 37 HA ILE 37 4.725 -4.222 -7.318 244 HB ILE 37 HB ILE 37 5.400 -4.192 -4.754 245 1HG1 ILE 37 1HG1 ILE 37 4.018 -1.435 -4.914 246 2HG1 ILE 37 2HG1 ILE 37 3.301 -2.802 -4.088 247 1HG2 ILE 37 1HG2 ILE 37 6.972 -2.314 -5.246 248 2HG2 ILE 37 2HG2 ILE 37 6.792 -3.348 -6.670 249 3HG2 ILE 37 3HG2 ILE 37 5.961 -1.776 -6.608 250 1HD1 ILE 37 1HD1 ILE 37 5.960 -1.494 -3.272 251 2HD1 ILE 37 2HD1 ILE 37 4.400 -1.409 -2.426 252 3HD1 ILE 37 3HD1 ILE 37 5.271 -2.956 -2.516 253 H SER 38 H SER 38 5.114 -6.202 -5.903 254 HA SER 38 HA SER 38 2.748 -7.970 -5.832 255 1HB SER 38 1HB SER 38 5.275 -8.587 -6.171 256 2HB SER 38 2HB SER 38 5.371 -8.613 -4.409 257 HG SER 38 HG SER 38 4.011 -10.267 -6.168 258 H THR 39 H THR 39 2.009 -9.094 -3.913 259 HA THR 39 HA THR 39 1.359 -7.228 -1.660 260 HB THR 39 HB THR 39 -0.001 -9.213 -0.772 261 HG1 THR 39 HG1 THR 39 0.144 -10.245 -3.351 262 1HG2 THR 39 1HG2 THR 39 -1.869 -8.914 -2.338 263 2HG2 THR 39 2HG2 THR 39 -1.079 -7.339 -2.088 264 3HG2 THR 39 3HG2 THR 39 -0.793 -8.254 -3.592 265 H LYS 40 H LYS 40 3.415 -10.011 -2.274 266 HA LYS 40 HA LYS 40 3.955 -10.857 0.473 267 1HB LYS 40 1HB LYS 40 5.250 -11.352 -2.212 268 2HB LYS 40 2HB LYS 40 6.273 -11.618 -0.816 269 1HG LYS 40 1HG LYS 40 5.048 -13.663 -1.715 270 2HG LYS 40 2HG LYS 40 4.910 -13.405 0.013 271 1HD LYS 40 1HD LYS 40 2.685 -13.951 -0.513 272 2HD LYS 40 2HD LYS 40 2.625 -12.197 -0.561 273 1HE LYS 40 1HE LYS 40 1.507 -12.657 -2.550 274 2HE LYS 40 2HE LYS 40 3.145 -12.482 -3.184 275 1HZ LYS 40 1HZ LYS 40 1.571 -14.621 -3.590 276 2HZ LYS 40 2HZ LYS 40 3.219 -14.669 -3.704 277 3HZ LYS 40 3HZ LYS 40 2.472 -15.179 -2.322 278 H GLU 41 H GLU 41 5.373 -8.432 -1.655 279 HA GLU 41 HA GLU 41 7.623 -7.777 0.254 280 1HB GLU 41 1HB GLU 41 8.649 -6.554 -1.449 281 2HB GLU 41 2HB GLU 41 7.148 -6.171 -2.268 282 1HG GLU 41 1HG GLU 41 6.996 -8.693 -2.930 283 2HG GLU 41 2HG GLU 41 8.217 -7.715 -3.725 284 H LEU 42 H LEU 42 4.588 -6.449 -0.948 285 HA LEU 42 HA LEU 42 4.490 -3.772 -0.261 286 1HB LEU 42 1HB LEU 42 2.482 -4.572 -1.137 287 2HB LEU 42 2HB LEU 42 2.419 -5.965 -0.078 288 HG LEU 42 HG LEU 42 2.009 -4.041 1.824 289 1HD1 LEU 42 1HD1 LEU 42 -0.269 -5.021 -0.009 290 2HD1 LEU 42 2HD1 LEU 42 0.505 -6.033 1.220 291 3HD1 LEU 42 3HD1 LEU 42 -0.387 -4.571 1.711 292 1HD2 LEU 42 1HD2 LEU 42 0.627 -2.173 0.993 293 2HD2 LEU 42 2HD2 LEU 42 2.175 -2.150 0.112 294 3HD2 LEU 42 3HD2 LEU 42 0.719 -2.780 -0.681 295 H GLY 43 H GLY 43 4.059 -6.466 2.049 296 1HA GLY 43 1HA GLY 43 4.105 -6.547 4.488 297 2HA GLY 43 2HA GLY 43 3.603 -4.854 4.466 298 H THR 44 H THR 44 6.529 -6.392 3.097 299 HA THR 44 HA THR 44 8.463 -5.658 5.022 300 HB THR 44 HB THR 44 8.810 -5.985 2.012 301 HG1 THR 44 HG1 THR 44 9.556 -7.559 4.242 302 1HG2 THR 44 1HG2 THR 44 11.271 -6.211 2.392 303 2HG2 THR 44 2HG2 THR 44 10.720 -4.556 2.728 304 3HG2 THR 44 3HG2 THR 44 11.076 -5.666 4.076 305 H VAL 45 H VAL 45 6.892 -3.711 2.578 306 HA VAL 45 HA VAL 45 8.694 -1.335 2.824 307 HB VAL 45 HB VAL 45 7.598 -0.356 1.088 308 1HG1 VAL 45 1HG1 VAL 45 4.906 -1.745 1.663 309 2HG1 VAL 45 2HG1 VAL 45 5.336 -0.156 2.308 310 3HG1 VAL 45 3HG1 VAL 45 5.218 -0.387 0.549 311 1HG2 VAL 45 1HG2 VAL 45 7.001 -1.951 -0.660 312 2HG2 VAL 45 2HG2 VAL 45 8.253 -2.739 0.328 313 3HG2 VAL 45 3HG2 VAL 45 6.558 -3.206 0.527 314 H MET 46 H MET 46 5.623 -2.488 4.120 315 HA MET 46 HA MET 46 4.800 0.073 5.391 316 1HB MET 46 1HB MET 46 3.142 -1.630 6.632 317 2HB MET 46 2HB MET 46 3.709 -2.769 5.423 318 1HG MET 46 1HG MET 46 2.779 -1.504 3.587 319 2HG MET 46 2HG MET 46 2.627 -0.029 4.556 320 1HE MET 46 1HE MET 46 1.946 -3.782 5.294 321 2HE MET 46 2HE MET 46 1.512 -3.095 6.887 322 3HE MET 46 3HE MET 46 0.244 -3.817 5.853 323 NH1 ARG 47 NH1 ARG 47 3.016 -3.659 11.181 324 NH2 ARG 47 NH2 ARG 47 3.198 -1.532 10.403 325 H ARG 47 H ARG 47 6.933 -2.506 6.285 326 HA ARG 47 HA ARG 47 6.740 -1.841 9.282 327 1HB ARG 47 1HB ARG 47 7.217 -4.396 7.771 328 2HB ARG 47 2HB ARG 47 8.301 -4.135 9.130 329 1HG ARG 47 1HG ARG 47 6.565 -5.266 10.195 330 2HG ARG 47 2HG ARG 47 6.127 -3.592 10.540 331 1HD ARG 47 1HD ARG 47 4.992 -4.833 7.994 332 2HD ARG 47 2HD ARG 47 4.323 -5.376 9.531 333 HE ARG 47 HE ARG 47 3.838 -2.746 8.278 334 1HH1 ARG 47 1HH1 ARG 47 2.692 -1.263 11.254 335 2HH1 ARG 47 2HH1 ARG 47 3.539 -0.905 9.667 336 1HH2 ARG 47 1HH2 ARG 47 3.293 -4.642 11.084 337 2HH2 ARG 47 2HH2 ARG 47 2.447 -3.252 11.932 338 H MET 48 H MET 48 8.944 -2.327 6.545 339 HA MET 48 HA MET 48 11.450 -1.646 7.961 340 1HB MET 48 1HB MET 48 11.273 -2.846 5.670 341 2HB MET 48 2HB MET 48 10.973 -1.275 4.949 342 1HG MET 48 1HG MET 48 13.192 -0.537 5.233 343 2HG MET 48 2HG MET 48 13.462 -1.522 6.679 344 1HE MET 48 1HE MET 48 15.750 -1.655 5.397 345 2HE MET 48 2HE MET 48 16.129 -3.021 4.306 346 3HE MET 48 3HE MET 48 15.490 -1.493 3.631 347 H LEU 49 H LEU 49 8.780 0.197 6.918 348 HA LEU 49 HA LEU 49 10.264 2.844 7.388 349 1HB LEU 49 1HB LEU 49 8.248 3.807 6.024 350 2HB LEU 49 2HB LEU 49 7.902 2.159 5.550 351 HG LEU 49 HG LEU 49 10.051 1.912 4.385 352 1HD1 LEU 49 1HD1 LEU 49 10.785 4.789 5.228 353 2HD1 LEU 49 2HD1 LEU 49 11.454 3.328 5.979 354 3HD1 LEU 49 3HD1 LEU 49 11.778 3.668 4.261 355 1HD2 LEU 49 1HD2 LEU 49 9.732 3.482 2.520 356 2HD2 LEU 49 2HD2 LEU 49 8.118 3.098 3.165 357 3HD2 LEU 49 3HD2 LEU 49 8.876 4.646 3.562 358 H GLY 50 H GLY 50 9.117 1.012 9.361 359 1HA GLY 50 1HA GLY 50 7.037 2.821 10.679 360 2HA GLY 50 2HA GLY 50 6.563 1.152 10.363 361 H GLN 51 H GLN 51 7.872 -0.564 11.298 362 HA GLN 51 HA GLN 51 9.404 0.074 13.849 363 1HB GLN 51 1HB GLN 51 7.138 -1.838 14.316 364 2HB GLN 51 2HB GLN 51 7.884 -0.665 15.387 365 1HG GLN 51 1HG GLN 51 6.533 1.141 14.631 366 2HG GLN 51 2HG GLN 51 6.151 0.379 13.100 367 1HE2 GLN 51 1HE2 GLN 51 3.083 0.077 15.249 368 2HE2 GLN 51 2HE2 GLN 51 4.038 1.342 14.324 369 H ASN 52 H ASN 52 8.939 -2.610 14.859 370 HA ASN 52 HA ASN 52 10.091 -4.416 12.702 371 1HB ASN 52 1HB ASN 52 11.363 -4.015 15.465 372 2HB ASN 52 2HB ASN 52 11.981 -3.355 13.966 373 1HD2 ASN 52 1HD2 ASN 52 13.652 -6.694 14.959 374 2HD2 ASN 52 2HD2 ASN 52 13.126 -5.251 15.963 375 HA PRO 53 HA PRO 53 6.958 -6.643 15.579 376 1HB PRO 53 1HB PRO 53 5.065 -7.479 13.766 377 2HB PRO 53 2HB PRO 53 5.145 -5.835 14.419 378 1HG PRO 53 1HG PRO 53 5.232 -5.290 12.143 379 2HG PRO 53 2HG PRO 53 6.086 -6.774 11.661 380 1HD PRO 53 1HD PRO 53 7.183 -4.159 12.706 381 2HD PRO 53 2HD PRO 53 8.026 -5.433 11.773 382 H THR 54 H THR 54 6.604 -8.372 12.544 383 HA THR 54 HA THR 54 8.740 -10.382 12.975 384 HB THR 54 HB THR 54 6.062 -11.726 13.266 385 HG1 THR 54 HG1 THR 54 5.716 -10.612 14.954 386 1HG2 THR 54 1HG2 THR 54 7.337 -13.355 14.622 387 2HG2 THR 54 2HG2 THR 54 8.143 -13.120 13.054 388 3HG2 THR 54 3HG2 THR 54 8.807 -12.356 14.521 389 H LYS 55 H LYS 55 8.528 -12.179 11.386 390 HA LYS 55 HA LYS 55 7.636 -11.142 8.708 391 1HB LYS 55 1HB LYS 55 8.725 -13.939 8.887 392 2HB LYS 55 2HB LYS 55 9.080 -12.669 7.736 393 1HG LYS 55 1HG LYS 55 10.400 -11.514 9.712 394 2HG LYS 55 2HG LYS 55 10.252 -13.049 10.546 395 1HD LYS 55 1HD LYS 55 12.325 -13.408 9.544 396 2HD LYS 55 2HD LYS 55 11.290 -14.051 8.279 397 1HE LYS 55 1HE LYS 55 11.597 -12.204 6.826 398 2HE LYS 55 2HE LYS 55 12.031 -11.089 8.123 399 1HZ LYS 55 1HZ LYS 55 13.790 -12.345 6.510 400 2HZ LYS 55 2HZ LYS 55 14.182 -11.711 7.984 401 3HZ LYS 55 3HZ LYS 55 13.860 -13.325 7.838 402 H GLU 56 H GLU 56 6.804 -13.662 11.032 403 HA GLU 56 HA GLU 56 4.779 -15.159 9.542 404 1HB GLU 56 1HB GLU 56 5.357 -14.749 12.482 405 2HB GLU 56 2HB GLU 56 5.432 -16.208 11.515 406 1HG GLU 56 1HG GLU 56 2.809 -16.089 11.387 407 2HG GLU 56 2HG GLU 56 2.905 -14.835 12.612 408 H GLU 57 H GLU 57 4.772 -12.085 11.254 409 HA GLU 57 HA GLU 57 1.885 -11.566 11.346 410 1HB GLU 57 1HB GLU 57 2.470 -9.157 11.637 411 2HB GLU 57 2HB GLU 57 4.144 -9.497 11.247 412 1HG GLU 57 1HG GLU 57 4.256 -11.044 13.302 413 2HG GLU 57 2HG GLU 57 4.041 -9.336 13.644 414 H LEU 58 H LEU 58 4.402 -11.003 8.925 415 HA LEU 58 HA LEU 58 3.076 -9.395 6.963 416 1HB LEU 58 1HB LEU 58 5.506 -10.351 6.945 417 2HB LEU 58 2HB LEU 58 4.836 -11.793 6.212 418 HG LEU 58 HG LEU 58 3.798 -9.821 4.520 419 1HD1 LEU 58 1HD1 LEU 58 5.692 -8.262 3.964 420 2HD1 LEU 58 2HD1 LEU 58 5.078 -7.976 5.599 421 3HD1 LEU 58 3HD1 LEU 58 6.609 -8.858 5.371 422 1HD2 LEU 58 1HD2 LEU 58 6.506 -11.278 4.188 423 2HD2 LEU 58 2HD2 LEU 58 4.907 -11.944 3.773 424 3HD2 LEU 58 3HD2 LEU 58 5.541 -10.548 2.881 425 H ASP 59 H ASP 59 2.759 -12.832 7.687 426 HA ASP 59 HA ASP 59 1.189 -13.633 5.338 427 1HB ASP 59 1HB ASP 59 1.225 -15.055 8.061 428 2HB ASP 59 2HB ASP 59 0.655 -15.719 6.547 429 H ALA 60 H ALA 60 0.318 -12.626 8.638 430 HA ALA 60 HA ALA 60 -2.556 -13.097 8.573 431 1HB ALA 60 1HB ALA 60 -2.682 -11.503 10.481 432 2HB ALA 60 2HB ALA 60 -1.345 -12.651 10.683 433 3HB ALA 60 3HB ALA 60 -1.009 -10.971 10.189 434 H ILE 61 H ILE 61 -0.736 -10.048 8.064 435 HA ILE 61 HA ILE 61 -2.794 -8.280 7.295 436 HB ILE 61 HB ILE 61 0.123 -8.353 6.459 437 1HG1 ILE 61 1HG1 ILE 61 -0.553 -7.577 8.816 438 2HG1 ILE 61 2HG1 ILE 61 -1.455 -6.262 8.094 439 1HG2 ILE 61 1HG2 ILE 61 -0.124 -6.153 5.281 440 2HG2 ILE 61 2HG2 ILE 61 -1.062 -7.403 4.466 441 3HG2 ILE 61 3HG2 ILE 61 -1.891 -6.215 5.498 442 1HD1 ILE 61 1HD1 ILE 61 0.586 -5.215 7.154 443 2HD1 ILE 61 2HD1 ILE 61 0.770 -5.498 8.898 444 3HD1 ILE 61 3HD1 ILE 61 1.581 -6.577 7.739 445 H ILE 62 H ILE 62 -1.173 -10.819 5.475 446 HA ILE 62 HA ILE 62 -2.087 -10.162 2.763 447 HB ILE 62 HB ILE 62 -0.351 -12.062 3.818 448 1HG1 ILE 62 1HG1 ILE 62 0.235 -12.615 1.518 449 2HG1 ILE 62 2HG1 ILE 62 -1.366 -12.239 0.920 450 1HG2 ILE 62 1HG2 ILE 62 -1.116 -14.318 3.031 451 2HG2 ILE 62 2HG2 ILE 62 -2.200 -13.702 4.277 452 3HG2 ILE 62 3HG2 ILE 62 -2.698 -13.643 2.571 453 1HD1 ILE 62 1HD1 ILE 62 0.647 -10.131 1.899 454 2HD1 ILE 62 2HD1 ILE 62 0.132 -10.454 0.230 455 3HD1 ILE 62 3HD1 ILE 62 -1.030 -9.783 1.397 456 H GLU 63 H GLU 63 -3.346 -12.360 5.277 457 HA GLU 63 HA GLU 63 -5.582 -13.495 3.876 458 1HB GLU 63 1HB GLU 63 -4.881 -14.431 5.987 459 2HB GLU 63 2HB GLU 63 -5.236 -12.956 6.864 460 1HG GLU 63 1HG GLU 63 -6.999 -14.543 7.374 461 2HG GLU 63 2HG GLU 63 -7.718 -13.286 6.382 462 H GLU 64 H GLU 64 -5.219 -10.346 5.387 463 HA GLU 64 HA GLU 64 -8.113 -9.657 5.442 464 1HB GLU 64 1HB GLU 64 -5.879 -7.602 5.707 465 2HB GLU 64 2HB GLU 64 -6.167 -8.775 6.978 466 1HG GLU 64 1HG GLU 64 -7.297 -6.559 7.395 467 2HG GLU 64 2HG GLU 64 -8.249 -6.749 5.932 468 H VAL 65 H VAL 65 -5.308 -8.505 3.546 469 HA VAL 65 HA VAL 65 -6.745 -6.598 1.865 470 HB VAL 65 HB VAL 65 -4.152 -7.962 1.006 471 1HG1 VAL 65 1HG1 VAL 65 -3.683 -5.780 -0.124 472 2HG1 VAL 65 2HG1 VAL 65 -5.202 -6.482 -0.713 473 3HG1 VAL 65 3HG1 VAL 65 -5.241 -5.123 0.436 474 1HG2 VAL 65 1HG2 VAL 65 -4.380 -5.579 2.971 475 2HG2 VAL 65 2HG2 VAL 65 -3.768 -7.206 3.357 476 3HG2 VAL 65 3HG2 VAL 65 -2.876 -6.176 2.228 477 H ASP 66 H ASP 66 -5.398 -9.814 0.987 478 HA ASP 66 HA ASP 66 -7.262 -9.991 -1.390 479 1HB ASP 66 1HB ASP 66 -4.868 -11.744 -0.598 480 2HB ASP 66 2HB ASP 66 -4.890 -10.483 -1.809 481 H GLU 67 H GLU 67 -8.844 -10.049 0.607 482 HA GLU 67 HA GLU 67 -9.455 -12.748 1.758 483 1HB GLU 67 1HB GLU 67 -10.133 -10.904 3.104 484 2HB GLU 67 2HB GLU 67 -10.934 -10.084 1.778 485 1HG GLU 67 1HG GLU 67 -12.863 -10.921 2.687 486 2HG GLU 67 2HG GLU 67 -12.446 -12.411 1.858 487 H ASP 68 H ASP 68 -10.389 -10.762 -0.996 488 HA ASP 68 HA ASP 68 -11.824 -13.165 -2.242 489 1HB ASP 68 1HB ASP 68 -13.444 -11.851 -3.296 490 2HB ASP 68 2HB ASP 68 -12.487 -10.388 -3.243 491 H GLY 69 H GLY 69 -11.959 -11.878 -4.818 492 1HA GLY 69 1HA GLY 69 -10.556 -12.049 -6.853 493 2HA GLY 69 2HA GLY 69 -9.139 -12.267 -5.821 494 H SER 70 H SER 70 -7.792 -10.656 -5.657 495 HA SER 70 HA SER 70 -8.669 -7.800 -6.370 496 1HB SER 70 1HB SER 70 -6.988 -6.905 -4.839 497 2HB SER 70 2HB SER 70 -6.388 -8.518 -4.447 498 HG SER 70 HG SER 70 -8.928 -7.399 -3.896 499 H GLY 71 H GLY 71 -5.497 -9.369 -5.902 500 1HA GLY 71 1HA GLY 71 -4.233 -10.138 -8.122 501 2HA GLY 71 2HA GLY 71 -4.682 -8.545 -8.740 502 H THR 72 H THR 72 -3.682 -6.709 -7.990 503 HA THR 72 HA THR 72 -1.050 -7.158 -6.521 504 HB THR 72 HB THR 72 0.018 -5.432 -7.760 505 HG1 THR 72 HG1 THR 72 -1.984 -4.833 -9.481 506 1HG2 THR 72 1HG2 THR 72 0.225 -7.305 -9.197 507 2HG2 THR 72 2HG2 THR 72 -1.505 -7.342 -9.604 508 3HG2 THR 72 3HG2 THR 72 -0.453 -6.072 -10.283 509 H ILE 73 H ILE 73 -0.439 -4.436 -6.130 510 HA ILE 73 HA ILE 73 -2.687 -3.209 -4.566 511 HB ILE 73 HB ILE 73 -0.914 -4.844 -3.178 512 1HG1 ILE 73 1HG1 ILE 73 -3.008 -4.580 -2.215 513 2HG1 ILE 73 2HG1 ILE 73 -2.003 -3.672 -1.100 514 1HG2 ILE 73 1HG2 ILE 73 0.416 -3.480 -1.610 515 2HG2 ILE 73 2HG2 ILE 73 0.937 -3.122 -3.263 516 3HG2 ILE 73 3HG2 ILE 73 -0.105 -1.970 -2.393 517 1HD1 ILE 73 1HD1 ILE 73 -2.701 -1.546 -2.633 518 2HD1 ILE 73 2HD1 ILE 73 -4.069 -2.604 -3.041 519 3HD1 ILE 73 3HD1 ILE 73 -3.770 -2.163 -1.343 520 H ASP 74 H ASP 74 -2.683 -1.082 -4.736 521 HA ASP 74 HA ASP 74 -0.426 0.240 -6.316 522 1HB ASP 74 1HB ASP 74 -1.873 1.467 -7.478 523 2HB ASP 74 2HB ASP 74 -2.773 1.916 -6.060 524 H PHE 75 H PHE 75 -0.942 2.854 -5.801 525 HA PHE 75 HA PHE 75 0.531 3.155 -3.223 526 1HB PHE 75 1HB PHE 75 -0.212 5.296 -5.305 527 2HB PHE 75 2HB PHE 75 1.237 4.325 -5.354 528 HD1 PHE 75 HD1 PHE 75 -0.534 7.050 -3.493 529 HD2 PHE 75 HD2 PHE 75 3.129 4.809 -3.786 530 HE1 PHE 75 HE1 PHE 75 0.651 8.804 -2.240 531 HE2 PHE 75 HE2 PHE 75 4.296 6.577 -2.529 532 HZ PHE 75 HZ PHE 75 3.057 8.558 -1.730 533 H GLU 76 H GLU 76 -2.666 3.769 -4.511 534 HA GLU 76 HA GLU 76 -3.635 5.735 -2.565 535 1HB GLU 76 1HB GLU 76 -5.136 3.816 -4.410 536 2HB GLU 76 2HB GLU 76 -5.971 4.897 -3.313 537 1HG GLU 76 1HG GLU 76 -4.946 6.896 -4.450 538 2HG GLU 76 2HG GLU 76 -4.007 5.846 -5.497 539 H GLU 77 H GLU 77 -4.741 2.359 -2.883 540 HA GLU 77 HA GLU 77 -5.781 1.923 -0.235 541 1HB GLU 77 1HB GLU 77 -5.837 0.361 -2.355 542 2HB GLU 77 2HB GLU 77 -4.362 -0.332 -1.711 543 1HG GLU 77 1HG GLU 77 -5.453 -1.338 0.133 544 2HG GLU 77 2HG GLU 77 -6.728 -0.133 0.195 545 H PHE 78 H PHE 78 -2.480 1.863 -1.446 546 HA PHE 78 HA PHE 78 -1.063 0.615 0.733 547 1HB PHE 78 1HB PHE 78 0.262 0.951 -1.158 548 2HB PHE 78 2HB PHE 78 -0.284 2.584 -1.432 549 HD1 PHE 78 HD1 PHE 78 0.888 1.589 1.985 550 HD2 PHE 78 HD2 PHE 78 2.039 3.387 -1.750 551 HE1 PHE 78 HE1 PHE 78 2.979 2.397 3.005 552 HE2 PHE 78 HE2 PHE 78 4.193 4.046 -0.756 553 HZ PHE 78 HZ PHE 78 4.653 3.585 1.627 554 H LEU 79 H LEU 79 -1.868 4.053 0.210 555 HA LEU 79 HA LEU 79 -0.788 5.125 2.733 556 1HB LEU 79 1HB LEU 79 -2.354 7.097 2.269 557 2HB LEU 79 2HB LEU 79 -2.983 6.229 0.885 558 HG LEU 79 HG LEU 79 -0.507 6.163 -0.006 559 1HD1 LEU 79 1HD1 LEU 79 -0.744 8.425 -1.041 560 2HD1 LEU 79 2HD1 LEU 79 -2.302 7.577 -1.033 561 3HD1 LEU 79 3HD1 LEU 79 -1.991 8.870 0.151 562 1HD2 LEU 79 1HD2 LEU 79 -0.191 8.408 2.098 563 2HD2 LEU 79 2HD2 LEU 79 0.684 6.856 2.077 564 3HD2 LEU 79 3HD2 LEU 79 0.964 8.041 0.792 565 H VAL 80 H VAL 80 -3.839 3.667 1.752 566 HA VAL 80 HA VAL 80 -5.515 4.461 4.002 567 HB VAL 80 HB VAL 80 -5.749 2.381 1.850 568 1HG1 VAL 80 1HG1 VAL 80 -7.855 4.366 2.912 569 2HG1 VAL 80 2HG1 VAL 80 -6.662 4.794 1.678 570 3HG1 VAL 80 3HG1 VAL 80 -7.847 3.509 1.348 571 1HG2 VAL 80 1HG2 VAL 80 -7.737 1.281 2.771 572 2HG2 VAL 80 2HG2 VAL 80 -6.429 1.071 3.959 573 3HG2 VAL 80 3HG2 VAL 80 -7.691 2.278 4.246 574 H MET 81 H MET 81 -3.236 1.822 3.483 575 HA MET 81 HA MET 81 -3.945 0.232 5.892 576 1HB MET 81 1HB MET 81 -1.297 0.001 4.369 577 2HB MET 81 2HB MET 81 -2.098 -1.214 5.349 578 1HG MET 81 1HG MET 81 -3.854 -0.347 3.108 579 2HG MET 81 2HG MET 81 -2.283 -0.930 2.535 580 1HE MET 81 1HE MET 81 -3.628 -2.593 6.116 581 2HE MET 81 2HE MET 81 -4.846 -1.531 5.349 582 3HE MET 81 3HE MET 81 -5.106 -3.300 5.388 583 H MET 82 H MET 82 -1.635 2.761 5.080 584 HA MET 82 HA MET 82 0.162 2.495 7.389 585 1HB MET 82 1HB MET 82 -0.284 4.645 5.289 586 2HB MET 82 2HB MET 82 0.599 5.084 6.739 587 1HG MET 82 1HG MET 82 1.389 2.784 4.835 588 2HG MET 82 2HG MET 82 2.118 4.397 4.866 589 1HE MET 82 1HE MET 82 2.482 5.282 7.847 590 2HE MET 82 2HE MET 82 1.273 4.099 8.428 591 3HE MET 82 3HE MET 82 2.953 4.026 9.034 592 H VAL 83 H VAL 83 -2.483 4.794 6.675 593 HA VAL 83 HA VAL 83 -2.522 6.144 9.271 594 HB VAL 83 HB VAL 83 -4.909 5.915 7.370 595 1HG1 VAL 83 1HG1 VAL 83 -2.752 8.116 7.287 596 2HG1 VAL 83 2HG1 VAL 83 -2.765 6.732 6.185 597 3HG1 VAL 83 3HG1 VAL 83 -4.121 7.885 6.169 598 1HG2 VAL 83 1HG2 VAL 83 -5.703 8.024 8.310 599 2HG2 VAL 83 2HG2 VAL 83 -5.365 6.957 9.692 600 3HG2 VAL 83 3HG2 VAL 83 -4.222 8.242 9.276 601 NH1 ARG 84 NH1 ARG 84 -9.157 0.177 8.969 602 NH2 ARG 84 NH2 ARG 84 -9.595 -0.037 6.750 603 H ARG 84 H ARG 84 -4.059 3.236 8.003 604 HA ARG 84 HA ARG 84 -5.965 2.652 10.153 605 1HB ARG 84 1HB ARG 84 -4.584 0.903 8.057 606 2HB ARG 84 2HB ARG 84 -6.258 1.437 8.137 607 1HG ARG 84 1HG ARG 84 -4.926 -0.715 9.868 608 2HG ARG 84 2HG ARG 84 -6.465 0.010 10.336 609 1HD ARG 84 1HD ARG 84 -5.854 -1.814 7.975 610 2HD ARG 84 2HD ARG 84 -7.200 -1.879 9.111 611 HE ARG 84 HE ARG 84 -7.066 -0.164 6.634 612 1HH1 ARG 84 1HH1 ARG 84 -10.528 0.322 6.981 613 2HH1 ARG 84 2HH1 ARG 84 -9.265 -0.347 5.830 614 1HH2 ARG 84 1HH2 ARG 84 -8.502 0.015 9.741 615 2HH2 ARG 84 2HH2 ARG 84 -10.113 0.546 9.041 616 H GLN 85 H GLN 85 -2.516 1.956 9.717 617 HA GLN 85 HA GLN 85 -2.231 0.051 11.969 618 1HB GLN 85 1HB GLN 85 0.301 1.380 11.315 619 2HB GLN 85 2HB GLN 85 -0.567 1.014 9.835 620 1HG GLN 85 1HG GLN 85 0.768 -0.903 10.181 621 2HG GLN 85 2HG GLN 85 0.527 -0.920 11.916 622 1HE2 GLN 85 1HE2 GLN 85 -2.071 -3.348 11.601 623 2HE2 GLN 85 2HE2 GLN 85 -0.688 -2.610 12.555 624 H MET 86 H MET 86 -1.297 3.466 11.500 625 HA MET 86 HA MET 86 -0.011 4.036 13.999 626 1HB MET 86 1HB MET 86 -0.750 5.575 11.766 627 2HB MET 86 2HB MET 86 -1.703 6.297 13.050 628 1HG MET 86 1HG MET 86 0.800 6.107 14.304 629 2HG MET 86 2HG MET 86 1.259 6.381 12.616 630 1HE MET 86 1HE MET 86 2.417 8.268 13.803 631 2HE MET 86 2HE MET 86 1.751 9.915 13.598 632 3HE MET 86 3HE MET 86 1.566 9.068 15.161 633 H LYS 87 H LYS 87 -3.455 4.013 13.169 634 HA LYS 87 HA LYS 87 -4.468 5.015 15.787 635 1HB LYS 87 1HB LYS 87 -5.657 4.902 13.370 636 2HB LYS 87 2HB LYS 87 -6.201 3.333 13.924 637 1HG LYS 87 1HG LYS 87 -7.170 4.507 16.012 638 2HG LYS 87 2HG LYS 87 -6.747 6.042 15.280 639 1HD LYS 87 1HD LYS 87 -8.867 4.023 14.351 640 2HD LYS 87 2HD LYS 87 -9.073 5.698 14.835 641 1HE LYS 87 1HE LYS 87 -8.981 6.350 12.669 642 2HE LYS 87 2HE LYS 87 -7.296 5.834 12.575 643 1HZ LYS 87 1HZ LYS 87 -8.572 3.487 12.280 644 2HZ LYS 87 2HZ LYS 87 -9.690 4.498 11.604 645 3HZ LYS 87 3HZ LYS 87 -8.148 4.460 11.014 646 H GLU 88 H GLU 88 -4.077 1.835 14.222 647 HA GLU 88 HA GLU 88 -5.190 0.047 16.134 648 1HB GLU 88 1HB GLU 88 -3.643 -0.274 13.845 649 2HB GLU 88 2HB GLU 88 -2.566 -0.901 15.077 650 1HG GLU 88 1HG GLU 88 -5.153 -2.037 14.033 651 2HG GLU 88 2HG GLU 88 -3.689 -2.862 14.542 652 H ASP 89 H ASP 89 -1.656 0.477 16.016 653 HA ASP 89 HA ASP 89 -1.574 0.645 19.075 654 1HB ASP 89 1HB ASP 89 0.624 -0.764 17.477 655 2HB ASP 89 2HB ASP 89 -0.797 -1.623 18.026 656 H ALA 90 H ALA 90 -0.180 2.088 19.927 657 HA ALA 90 HA ALA 90 1.807 3.617 18.230 658 1HB ALA 90 1HB ALA 90 0.811 5.712 18.259 659 2HB ALA 90 2HB ALA 90 -0.696 4.782 18.381 660 3HB ALA 90 3HB ALA 90 0.041 5.473 19.848 Start of MODEL 13 Raw file had 660 H/Q atoms Start of MODEL 13 1 1H ALA 1 1H ALA 1 -18.898 10.435 6.484 2 2H ALA 1 2H ALA 1 -17.843 11.125 7.597 3 3H ALA 1 3H ALA 1 -17.288 10.690 6.070 4 HA ALA 1 HA ALA 1 -16.494 8.957 7.214 5 1HB ALA 1 1HB ALA 1 -17.942 7.960 9.193 6 2HB ALA 1 2HB ALA 1 -17.094 9.496 9.453 7 3HB ALA 1 3HB ALA 1 -18.845 9.492 9.119 8 H SER 2 H SER 2 -16.672 7.600 5.544 9 HA SER 2 HA SER 2 -18.808 5.545 5.382 10 1HB SER 2 1HB SER 2 -19.832 7.758 4.362 11 2HB SER 2 2HB SER 2 -18.851 7.373 2.946 12 HG SER 2 HG SER 2 -20.451 5.406 4.183 13 H MET 3 H MET 3 -18.380 3.987 3.742 14 HA MET 3 HA MET 3 -15.541 3.522 3.012 15 1HB MET 3 1HB MET 3 -18.135 2.039 2.613 16 2HB MET 3 2HB MET 3 -16.889 1.730 1.418 17 1HG MET 3 1HG MET 3 -15.329 1.418 3.651 18 2HG MET 3 2HG MET 3 -16.256 0.094 2.925 19 1HE MET 3 1HE MET 3 -16.011 2.092 6.602 20 2HE MET 3 2HE MET 3 -16.353 3.117 5.176 21 3HE MET 3 3HE MET 3 -17.634 2.822 6.388 22 H THR 4 H THR 4 -18.393 4.859 1.445 23 HA THR 4 HA THR 4 -17.581 5.098 -1.306 24 HB THR 4 HB THR 4 -19.821 5.806 -0.241 25 HG1 THR 4 HG1 THR 4 -19.142 7.784 -1.997 26 1HG2 THR 4 1HG2 THR 4 -20.207 8.211 0.143 27 2HG2 THR 4 2HG2 THR 4 -19.053 7.609 1.354 28 3HG2 THR 4 3HG2 THR 4 -18.477 8.582 -0.024 29 H ASP 5 H ASP 5 -16.368 6.646 1.569 30 HA ASP 5 HA ASP 5 -14.134 7.948 -0.031 31 1HB ASP 5 1HB ASP 5 -14.326 10.128 1.054 32 2HB ASP 5 2HB ASP 5 -15.784 9.754 0.163 33 H GLN 6 H GLN 6 -13.934 5.645 1.342 34 HA GLN 6 HA GLN 6 -12.676 6.127 4.058 35 1HB GLN 6 1HB GLN 6 -13.854 4.045 3.934 36 2HB GLN 6 2HB GLN 6 -13.176 3.639 2.367 37 1HG GLN 6 1HG GLN 6 -11.107 2.918 3.250 38 2HG GLN 6 2HG GLN 6 -11.229 3.901 4.694 39 1HE2 GLN 6 1HE2 GLN 6 -12.690 0.064 4.721 40 2HE2 GLN 6 2HE2 GLN 6 -11.965 0.843 3.226 41 H GLN 7 H GLN 7 -11.756 5.135 0.761 42 HA GLN 7 HA GLN 7 -8.899 4.852 1.020 43 1HB GLN 7 1HB GLN 7 -10.285 6.062 -1.443 44 2HB GLN 7 2HB GLN 7 -8.701 5.311 -1.378 45 1HG GLN 7 1HG GLN 7 -11.032 3.592 -0.483 46 2HG GLN 7 2HG GLN 7 -10.967 3.998 -2.186 47 1HE2 GLN 7 1HE2 GLN 7 -8.980 0.795 -1.480 48 2HE2 GLN 7 2HE2 GLN 7 -10.673 1.377 -1.076 49 H ALA 8 H ALA 8 -10.839 7.771 0.312 50 HA ALA 8 HA ALA 8 -8.561 9.631 0.029 51 1HB ALA 8 1HB ALA 8 -10.601 11.354 0.443 52 2HB ALA 8 2HB ALA 8 -10.393 10.485 -1.090 53 3HB ALA 8 3HB ALA 8 -11.580 9.906 0.107 54 H GLU 9 H GLU 9 -10.622 8.570 2.678 55 HA GLU 9 HA GLU 9 -10.188 10.569 4.693 56 1HB GLU 9 1HB GLU 9 -11.740 8.499 4.783 57 2HB GLU 9 2HB GLU 9 -10.357 7.591 5.362 58 1HG GLU 9 1HG GLU 9 -10.271 8.773 7.449 59 2HG GLU 9 2HG GLU 9 -11.148 10.161 6.826 60 H ALA 10 H ALA 10 -8.125 7.931 3.594 61 HA ALA 10 HA ALA 10 -6.181 7.779 5.725 62 1HB ALA 10 1HB ALA 10 -4.671 6.709 4.060 63 2HB ALA 10 2HB ALA 10 -6.323 6.074 3.938 64 3HB ALA 10 3HB ALA 10 -5.724 7.232 2.723 65 NH1 ARG 11 NH1 ARG 11 -5.839 12.797 -1.216 66 NH2 ARG 11 NH2 ARG 11 -4.068 13.863 -2.157 67 H ARG 11 H ARG 11 -5.909 9.526 2.609 68 HA ARG 11 HA ARG 11 -3.404 10.994 3.216 69 1HB ARG 11 1HB ARG 11 -5.356 12.134 1.201 70 2HB ARG 11 2HB ARG 11 -3.604 11.991 1.142 71 1HG ARG 11 1HG ARG 11 -4.067 9.354 1.013 72 2HG ARG 11 2HG ARG 11 -5.684 9.846 0.505 73 1HD ARG 11 1HD ARG 11 -3.267 9.735 -1.102 74 2HD ARG 11 2HD ARG 11 -4.904 10.123 -1.625 75 HE ARG 11 HE ARG 11 -2.740 12.116 -0.997 76 1HH1 ARG 11 1HH1 ARG 11 -6.377 13.631 -1.474 77 2HH1 ARG 11 2HH1 ARG 11 -6.194 11.956 -0.747 78 1HH2 ARG 11 1HH2 ARG 11 -3.072 13.839 -2.405 79 2HH2 ARG 11 2HH2 ARG 11 -4.731 14.622 -2.352 80 H ALA 12 H ALA 12 -6.800 11.505 3.876 81 HA ALA 12 HA ALA 12 -7.000 14.336 4.299 82 1HB ALA 12 1HB ALA 12 -8.892 13.864 5.836 83 2HB ALA 12 2HB ALA 12 -8.969 12.833 4.393 84 3HB ALA 12 3HB ALA 12 -8.422 12.150 5.945 85 H PHE 13 H PHE 13 -5.414 11.896 6.257 86 HA PHE 13 HA PHE 13 -4.989 13.862 8.561 87 1HB PHE 13 1HB PHE 13 -4.663 10.805 8.643 88 2HB PHE 13 2HB PHE 13 -6.160 11.618 9.015 89 HD1 PHE 13 HD1 PHE 13 -5.954 13.543 10.946 90 HD2 PHE 13 HD2 PHE 13 -3.051 10.419 10.363 91 HE1 PHE 13 HE1 PHE 13 -5.317 13.677 13.318 92 HE2 PHE 13 HE2 PHE 13 -2.432 10.566 12.739 93 HZ PHE 13 HZ PHE 13 -3.519 12.231 14.205 94 H LEU 14 H LEU 14 -3.545 13.918 6.065 95 HA LEU 14 HA LEU 14 -0.688 13.208 6.928 96 1HB LEU 14 1HB LEU 14 -1.987 12.744 4.181 97 2HB LEU 14 2HB LEU 14 -0.251 12.802 4.399 98 HG LEU 14 HG LEU 14 -1.760 10.502 4.444 99 1HD1 LEU 14 1HD1 LEU 14 -1.262 11.057 7.438 100 2HD1 LEU 14 2HD1 LEU 14 -2.853 11.143 6.659 101 3HD1 LEU 14 3HD1 LEU 14 -1.981 9.591 6.721 102 1HD2 LEU 14 1HD2 LEU 14 0.247 9.326 5.230 103 2HD2 LEU 14 2HD2 LEU 14 0.799 10.736 4.293 104 3HD2 LEU 14 3HD2 LEU 14 0.854 10.780 6.061 105 H SER 15 H SER 15 0.716 14.332 4.975 106 HA SER 15 HA SER 15 -0.170 17.266 4.779 107 1HB SER 15 1HB SER 15 2.518 17.492 4.449 108 2HB SER 15 2HB SER 15 2.502 16.033 5.444 109 HG SER 15 HG SER 15 2.456 18.252 6.428 110 H GLU 16 H GLU 16 0.956 18.366 2.885 111 HA GLU 16 HA GLU 16 0.204 16.935 0.362 112 1HB GLU 16 1HB GLU 16 -0.151 19.482 0.990 113 2HB GLU 16 2HB GLU 16 1.488 19.694 0.408 114 1HG GLU 16 1HG GLU 16 -0.828 18.516 -1.262 115 2HG GLU 16 2HG GLU 16 0.812 18.741 -1.845 116 H GLU 17 H GLU 17 3.127 18.164 1.933 117 HA GLU 17 HA GLU 17 4.947 17.361 -0.337 118 1HB GLU 17 1HB GLU 17 5.111 19.445 1.400 119 2HB GLU 17 2HB GLU 17 6.096 18.300 2.289 120 1HG GLU 17 1HG GLU 17 6.635 19.595 -0.418 121 2HG GLU 17 2HG GLU 17 7.322 18.005 -0.130 122 H MET 18 H MET 18 4.024 16.315 2.898 123 HA MET 18 HA MET 18 5.949 14.269 3.513 124 1HB MET 18 1HB MET 18 2.929 14.141 4.084 125 2HB MET 18 2HB MET 18 4.111 14.991 5.062 126 1HG MET 18 1HG MET 18 4.496 11.993 4.560 127 2HG MET 18 2HG MET 18 3.321 12.552 5.761 128 1HE MET 18 1HE MET 18 4.415 11.321 7.573 129 2HE MET 18 2HE MET 18 5.979 10.778 6.896 130 3HE MET 18 3HE MET 18 5.948 11.761 8.390 131 H ILE 19 H ILE 19 3.212 14.275 1.291 132 HA ILE 19 HA ILE 19 3.070 11.423 0.628 133 HB ILE 19 HB ILE 19 2.216 13.891 -0.952 134 1HG1 ILE 19 1HG1 ILE 19 0.610 13.632 0.767 135 2HG1 ILE 19 2HG1 ILE 19 -0.123 12.753 -0.557 136 1HG2 ILE 19 1HG2 ILE 19 1.101 12.392 -2.620 137 2HG2 ILE 19 2HG2 ILE 19 2.844 12.129 -2.632 138 3HG2 ILE 19 3HG2 ILE 19 1.784 10.955 -1.820 139 1HD1 ILE 19 1HD1 ILE 19 1.310 11.419 1.814 140 2HD1 ILE 19 2HD1 ILE 19 -0.432 11.451 1.472 141 3HD1 ILE 19 3HD1 ILE 19 0.661 10.550 0.396 142 H ALA 20 H ALA 20 4.858 14.162 -0.800 143 HA ALA 20 HA ALA 20 6.131 12.967 -3.040 144 1HB ALA 20 1HB ALA 20 7.868 14.694 -2.859 145 2HB ALA 20 2HB ALA 20 6.291 15.393 -2.443 146 3HB ALA 20 3HB ALA 20 7.463 15.013 -1.156 147 H GLU 21 H GLU 21 6.952 12.700 0.387 148 HA GLU 21 HA GLU 21 9.598 11.395 0.025 149 1HB GLU 21 1HB GLU 21 8.877 12.811 2.037 150 2HB GLU 21 2HB GLU 21 7.928 11.446 2.590 151 1HG GLU 21 1HG GLU 21 10.007 11.365 3.810 152 2HG GLU 21 2HG GLU 21 10.073 10.037 2.664 153 H PHE 22 H PHE 22 6.290 10.349 0.739 154 HA PHE 22 HA PHE 22 6.722 7.524 1.306 155 1HB PHE 22 1HB PHE 22 4.299 8.953 0.076 156 2HB PHE 22 2HB PHE 22 4.298 7.240 0.403 157 HD1 PHE 22 HD1 PHE 22 6.325 8.304 3.006 158 HD2 PHE 22 HD2 PHE 22 2.242 8.752 1.719 159 HE1 PHE 22 HE1 PHE 22 5.635 8.764 5.321 160 HE2 PHE 22 HE2 PHE 22 1.570 9.200 4.044 161 HZ PHE 22 HZ PHE 22 3.260 9.203 5.847 162 H LYS 23 H LYS 23 6.485 9.380 -1.677 163 HA LYS 23 HA LYS 23 6.116 7.298 -3.650 164 1HB LYS 23 1HB LYS 23 7.412 8.924 -5.241 165 2HB LYS 23 2HB LYS 23 7.532 10.014 -3.876 166 1HG LYS 23 1HG LYS 23 4.918 8.986 -5.137 167 2HG LYS 23 2HG LYS 23 4.974 10.005 -3.712 168 1HD LYS 23 1HD LYS 23 5.522 11.947 -4.926 169 2HD LYS 23 2HD LYS 23 6.470 11.059 -6.107 170 1HE LYS 23 1HE LYS 23 3.399 10.894 -6.056 171 2HE LYS 23 2HE LYS 23 4.267 12.113 -6.990 172 1HZ LYS 23 1HZ LYS 23 3.614 9.868 -8.076 173 2HZ LYS 23 2HZ LYS 23 5.101 10.501 -8.420 174 3HZ LYS 23 3HZ LYS 23 4.962 9.259 -7.341 175 H ALA 24 H ALA 24 9.129 8.744 -2.377 176 HA ALA 24 HA ALA 24 11.093 7.357 -3.964 177 1HB ALA 24 1HB ALA 24 12.715 7.884 -2.153 178 2HB ALA 24 2HB ALA 24 11.671 9.274 -2.502 179 3HB ALA 24 3HB ALA 24 11.388 8.296 -1.040 180 H ALA 25 H ALA 25 9.525 6.408 -0.912 181 HA ALA 25 HA ALA 25 11.140 4.010 -0.351 182 1HB ALA 25 1HB ALA 25 9.399 3.479 1.347 183 2HB ALA 25 2HB ALA 25 9.891 5.181 1.441 184 3HB ALA 25 3HB ALA 25 8.332 4.746 0.695 185 H PHE 26 H PHE 26 8.105 4.611 -2.067 186 HA PHE 26 HA PHE 26 7.178 1.836 -2.354 187 1HB PHE 26 1HB PHE 26 6.487 4.114 -4.290 188 2HB PHE 26 2HB PHE 26 5.838 4.068 -2.672 189 HD1 PHE 26 HD1 PHE 26 6.352 1.408 -5.367 190 HD2 PHE 26 HD2 PHE 26 3.583 3.347 -2.707 191 HE1 PHE 26 HE1 PHE 26 4.536 -0.039 -6.185 192 HE2 PHE 26 HE2 PHE 26 1.774 1.908 -3.555 193 HZ PHE 26 HZ PHE 26 2.248 0.209 -5.286 194 H ASP 27 H ASP 27 9.335 3.940 -4.179 195 HA ASP 27 HA ASP 27 9.500 2.317 -6.638 196 1HB ASP 27 1HB ASP 27 11.559 4.403 -5.727 197 2HB ASP 27 2HB ASP 27 10.026 4.822 -6.456 198 H MET 28 H MET 28 11.196 2.355 -3.578 199 HA MET 28 HA MET 28 13.688 1.084 -4.089 200 1HB MET 28 1HB MET 28 11.833 0.745 -1.678 201 2HB MET 28 2HB MET 28 13.356 -0.119 -1.783 202 1HG MET 28 1HG MET 28 14.661 1.962 -1.789 203 2HG MET 28 2HG MET 28 13.208 2.948 -2.025 204 1HE MET 28 1HE MET 28 15.017 0.355 0.084 205 2HE MET 28 2HE MET 28 15.605 1.766 1.014 206 3HE MET 28 3HE MET 28 14.468 0.612 1.771 207 H PHE 29 H PHE 29 10.489 -0.425 -3.738 208 HA PHE 29 HA PHE 29 11.586 -3.206 -4.330 209 1HB PHE 29 1HB PHE 29 9.090 -3.886 -3.923 210 2HB PHE 29 2HB PHE 29 8.823 -2.250 -3.385 211 HD1 PHE 29 HD1 PHE 29 11.074 -1.498 -1.696 212 HD2 PHE 29 HD2 PHE 29 9.140 -5.331 -2.018 213 HE1 PHE 29 HE1 PHE 29 11.899 -2.116 0.539 214 HE2 PHE 29 HE2 PHE 29 9.956 -5.918 0.228 215 HZ PHE 29 HZ PHE 29 11.335 -4.319 1.507 216 H ASP 30 H ASP 30 9.712 -0.599 -5.738 217 HA ASP 30 HA ASP 30 8.395 -2.124 -7.911 218 1HB ASP 30 1HB ASP 30 7.766 0.259 -6.949 219 2HB ASP 30 2HB ASP 30 8.960 0.872 -8.070 220 H ALA 31 H ALA 31 9.149 -2.709 -9.816 221 HA ALA 31 HA ALA 31 12.049 -2.459 -10.511 222 1HB ALA 31 1HB ALA 31 11.476 -3.930 -12.446 223 2HB ALA 31 2HB ALA 31 10.860 -4.587 -10.917 224 3HB ALA 31 3HB ALA 31 9.742 -3.806 -12.065 225 H ASP 32 H ASP 32 9.410 -2.114 -12.824 226 HA ASP 32 HA ASP 32 10.623 0.397 -14.023 227 1HB ASP 32 1HB ASP 32 10.000 -1.299 -15.661 228 2HB ASP 32 2HB ASP 32 8.377 -1.429 -15.024 229 H GLY 33 H GLY 33 7.322 -0.683 -13.121 230 1HA GLY 33 1HA GLY 33 6.229 2.025 -12.592 231 2HA GLY 33 2HA GLY 33 6.797 1.307 -11.083 232 H GLY 34 H GLY 34 4.661 0.766 -13.862 233 1HA GLY 34 1HA GLY 34 2.492 -0.287 -14.049 234 2HA GLY 34 2HA GLY 34 3.153 -1.543 -13.001 235 H GLY 35 H GLY 35 3.186 1.683 -11.748 236 1HA GLY 35 1HA GLY 35 2.103 2.647 -9.797 237 2HA GLY 35 2HA GLY 35 0.645 2.274 -10.714 238 H ASP 36 H ASP 36 2.840 -0.209 -9.545 239 HA ASP 36 HA ASP 36 1.333 -0.906 -7.072 240 1HB ASP 36 1HB ASP 36 0.289 -2.996 -7.750 241 2HB ASP 36 2HB ASP 36 -0.356 -1.671 -8.690 242 H ILE 37 H ILE 37 2.122 -2.978 -6.172 243 HA ILE 37 HA ILE 37 4.894 -3.867 -7.119 244 HB ILE 37 HB ILE 37 5.728 -3.852 -4.750 245 1HG1 ILE 37 1HG1 ILE 37 3.067 -2.496 -4.201 246 2HG1 ILE 37 2HG1 ILE 37 3.993 -3.590 -3.196 247 1HG2 ILE 37 1HG2 ILE 37 6.455 -1.464 -4.809 248 2HG2 ILE 37 2HG2 ILE 37 6.452 -2.141 -6.444 249 3HG2 ILE 37 3HG2 ILE 37 5.139 -1.052 -5.935 250 1HD1 ILE 37 1HD1 ILE 37 4.648 -0.609 -3.559 251 2HD1 ILE 37 2HD1 ILE 37 3.978 -1.410 -2.121 252 3HD1 ILE 37 3HD1 ILE 37 5.644 -1.764 -2.633 253 H SER 38 H SER 38 5.393 -5.679 -5.150 254 HA SER 38 HA SER 38 3.421 -7.877 -5.612 255 1HB SER 38 1HB SER 38 6.028 -7.727 -4.016 256 2HB SER 38 2HB SER 38 5.737 -8.513 -5.570 257 HG SER 38 HG SER 38 5.645 -10.081 -4.103 258 H THR 39 H THR 39 2.115 -8.836 -4.108 259 HA THR 39 HA THR 39 0.965 -7.104 -1.963 260 HB THR 39 HB THR 39 -0.535 -9.178 -1.529 261 HG1 THR 39 HG1 THR 39 1.136 -10.332 -3.016 262 1HG2 THR 39 1HG2 THR 39 -2.038 -8.683 -3.407 263 2HG2 THR 39 2HG2 THR 39 -1.335 -7.156 -2.825 264 3HG2 THR 39 3HG2 THR 39 -0.732 -7.902 -4.329 265 H LYS 40 H LYS 40 3.090 -9.895 -2.198 266 HA LYS 40 HA LYS 40 3.009 -10.674 0.668 267 1HB LYS 40 1HB LYS 40 4.480 -11.579 -1.788 268 2HB LYS 40 2HB LYS 40 5.395 -11.766 -0.307 269 1HG LYS 40 1HG LYS 40 2.581 -12.762 -0.088 270 2HG LYS 40 2HG LYS 40 3.490 -13.549 -1.363 271 1HD LYS 40 1HD LYS 40 4.024 -13.584 1.655 272 2HD LYS 40 2HD LYS 40 3.778 -14.928 0.552 273 1HE LYS 40 1HE LYS 40 6.315 -13.439 1.163 274 2HE LYS 40 2HE LYS 40 6.106 -13.839 -0.543 275 1HZ LYS 40 1HZ LYS 40 6.298 -15.674 1.766 276 2HZ LYS 40 2HZ LYS 40 5.549 -16.190 0.387 277 3HZ LYS 40 3HZ LYS 40 7.128 -15.706 0.338 278 H GLU 41 H GLU 41 4.977 -8.588 -1.371 279 HA GLU 41 HA GLU 41 7.104 -8.132 0.705 280 1HB GLU 41 1HB GLU 41 6.776 -7.483 -2.204 281 2HB GLU 41 2HB GLU 41 7.688 -6.306 -1.278 282 1HG GLU 41 1HG GLU 41 8.925 -8.350 -2.469 283 2HG GLU 41 2HG GLU 41 9.495 -7.750 -0.921 284 H LEU 42 H LEU 42 4.216 -6.565 -0.509 285 HA LEU 42 HA LEU 42 4.415 -3.851 -0.051 286 1HB LEU 42 1HB LEU 42 2.212 -5.783 0.012 287 2HB LEU 42 2HB LEU 42 2.251 -4.148 -0.615 288 HG LEU 42 HG LEU 42 1.941 -4.606 2.400 289 1HD1 LEU 42 1HD1 LEU 42 0.712 -2.419 2.294 290 2HD1 LEU 42 2HD1 LEU 42 2.360 -2.261 1.667 291 3HD1 LEU 42 3HD1 LEU 42 0.986 -2.333 0.535 292 1HD2 LEU 42 1HD2 LEU 42 -0.388 -4.652 0.364 293 2HD2 LEU 42 2HD2 LEU 42 0.173 -6.029 1.344 294 3HD2 LEU 42 3HD2 LEU 42 -0.548 -4.619 2.139 295 H GLY 43 H GLY 43 3.874 -6.275 2.522 296 1HA GLY 43 1HA GLY 43 4.015 -6.108 4.964 297 2HA GLY 43 2HA GLY 43 3.743 -4.374 4.782 298 H THR 44 H THR 44 6.347 -6.488 3.505 299 HA THR 44 HA THR 44 8.513 -5.806 5.156 300 HB THR 44 HB THR 44 8.581 -6.366 2.160 301 HG1 THR 44 HG1 THR 44 8.901 -8.323 2.784 302 1HG2 THR 44 1HG2 THR 44 11.028 -6.809 2.379 303 2HG2 THR 44 2HG2 THR 44 10.665 -5.089 2.634 304 3HG2 THR 44 3HG2 THR 44 11.019 -6.139 4.030 305 H VAL 45 H VAL 45 6.887 -3.863 2.742 306 HA VAL 45 HA VAL 45 8.840 -1.640 2.560 307 HB VAL 45 HB VAL 45 5.861 -1.319 1.996 308 1HG1 VAL 45 1HG1 VAL 45 7.880 -2.443 -0.046 309 2HG1 VAL 45 2HG1 VAL 45 6.732 -3.453 0.842 310 3HG1 VAL 45 3HG1 VAL 45 6.126 -2.201 -0.265 311 1HG2 VAL 45 1HG2 VAL 45 6.529 0.357 0.353 312 2HG2 VAL 45 2HG2 VAL 45 7.410 0.745 1.848 313 3HG2 VAL 45 3HG2 VAL 45 8.256 -0.057 0.517 314 H MET 46 H MET 46 5.763 -2.155 4.320 315 HA MET 46 HA MET 46 5.630 0.348 5.758 316 1HB MET 46 1HB MET 46 4.055 -0.726 7.314 317 2HB MET 46 2HB MET 46 4.592 -2.329 6.843 318 1HG MET 46 1HG MET 46 3.799 -1.459 4.363 319 2HG MET 46 2HG MET 46 2.705 -2.245 5.512 320 1HE MET 46 1HE MET 46 2.177 -0.643 7.731 321 2HE MET 46 2HE MET 46 1.400 0.953 7.513 322 3HE MET 46 3HE MET 46 0.563 -0.528 6.963 323 NH1 ARG 47 NH1 ARG 47 12.780 -6.010 11.268 324 NH2 ARG 47 NH2 ARG 47 13.880 -4.314 10.231 325 H ARG 47 H ARG 47 7.619 -2.475 6.298 326 HA ARG 47 HA ARG 47 8.343 -1.726 9.160 327 1HB ARG 47 1HB ARG 47 7.938 -4.198 8.010 328 2HB ARG 47 2HB ARG 47 9.676 -4.054 7.788 329 1HG ARG 47 1HG ARG 47 8.176 -4.616 10.259 330 2HG ARG 47 2HG ARG 47 9.241 -3.230 10.501 331 1HD ARG 47 1HD ARG 47 10.376 -5.711 9.111 332 2HD ARG 47 2HD ARG 47 10.141 -5.757 10.857 333 HE ARG 47 HE ARG 47 11.619 -3.311 10.014 334 1HH1 ARG 47 1HH1 ARG 47 13.713 -6.373 11.492 335 2HH1 ARG 47 2HH1 ARG 47 11.879 -6.436 11.515 336 1HH2 ARG 47 1HH2 ARG 47 13.821 -3.476 9.643 337 2HH2 ARG 47 2HH2 ARG 47 14.735 -4.767 10.573 338 H MET 48 H MET 48 9.685 -1.888 5.904 339 HA MET 48 HA MET 48 12.522 -1.496 6.652 340 1HB MET 48 1HB MET 48 11.635 -2.509 4.431 341 2HB MET 48 2HB MET 48 11.345 -0.864 3.891 342 1HG MET 48 1HG MET 48 13.474 -1.139 2.999 343 2HG MET 48 2HG MET 48 13.960 -0.534 4.590 344 1HE MET 48 1HE MET 48 14.123 -2.810 6.832 345 2HE MET 48 2HE MET 48 15.764 -3.297 6.314 346 3HE MET 48 3HE MET 48 15.270 -1.582 6.210 347 H LEU 49 H LEU 49 9.924 0.622 6.778 348 HA LEU 49 HA LEU 49 11.433 3.177 6.245 349 1HB LEU 49 1HB LEU 49 8.831 3.217 7.779 350 2HB LEU 49 2HB LEU 49 9.435 4.317 6.557 351 HG LEU 49 HG LEU 49 8.138 1.568 6.096 352 1HD1 LEU 49 1HD1 LEU 49 6.434 2.882 4.822 353 2HD1 LEU 49 2HD1 LEU 49 6.546 3.459 6.494 354 3HD1 LEU 49 3HD1 LEU 49 7.297 4.399 5.180 355 1HD2 LEU 49 1HD2 LEU 49 9.461 3.367 3.955 356 2HD2 LEU 49 2HD2 LEU 49 10.015 1.750 4.456 357 3HD2 LEU 49 3HD2 LEU 49 8.461 1.929 3.628 358 H GLY 50 H GLY 50 10.235 1.248 8.977 359 1HA GLY 50 1HA GLY 50 12.282 1.251 10.836 360 2HA GLY 50 2HA GLY 50 11.775 2.937 10.985 361 H GLN 51 H GLN 51 10.252 -0.286 10.820 362 HA GLN 51 HA GLN 51 8.591 0.335 13.317 363 1HB GLN 51 1HB GLN 51 7.481 -0.628 10.629 364 2HB GLN 51 2HB GLN 51 6.680 -1.020 12.141 365 1HG GLN 51 1HG GLN 51 5.519 0.899 11.531 366 2HG GLN 51 2HG GLN 51 6.701 1.577 12.631 367 1HE2 GLN 51 1HE2 GLN 51 6.735 3.786 9.610 368 2HE2 GLN 51 2HE2 GLN 51 5.514 3.256 10.873 369 H ASN 52 H ASN 52 7.328 -1.979 13.645 370 HA ASN 52 HA ASN 52 9.582 -4.012 13.895 371 1HB ASN 52 1HB ASN 52 7.300 -3.905 15.900 372 2HB ASN 52 2HB ASN 52 8.528 -2.658 15.968 373 1HD2 ASN 52 1HD2 ASN 52 9.385 -5.770 18.105 374 2HD2 ASN 52 2HD2 ASN 52 7.999 -4.572 18.002 375 HA PRO 53 HA PRO 53 4.950 -6.081 12.580 376 1HB PRO 53 1HB PRO 53 4.346 -5.576 10.267 377 2HB PRO 53 2HB PRO 53 6.014 -5.091 9.887 378 1HG PRO 53 1HG PRO 53 5.070 -2.961 10.277 379 2HG PRO 53 2HG PRO 53 3.992 -3.511 11.585 380 1HD PRO 53 1HD PRO 53 5.756 -2.759 12.980 381 2HD PRO 53 2HD PRO 53 6.950 -2.825 11.640 382 H THR 54 H THR 54 5.197 -8.212 12.302 383 HA THR 54 HA THR 54 7.983 -9.321 11.851 384 HB THR 54 HB THR 54 5.800 -11.198 12.679 385 HG1 THR 54 HG1 THR 54 6.567 -8.924 14.098 386 1HG2 THR 54 1HG2 THR 54 7.510 -12.047 14.252 387 2HG2 THR 54 2HG2 THR 54 8.194 -11.960 12.613 388 3HG2 THR 54 3HG2 THR 54 8.623 -10.726 13.824 389 H LYS 55 H LYS 55 7.763 -11.705 10.889 390 HA LYS 55 HA LYS 55 6.782 -11.367 8.049 391 1HB LYS 55 1HB LYS 55 8.506 -13.527 9.394 392 2HB LYS 55 2HB LYS 55 7.942 -13.675 7.743 393 1HG LYS 55 1HG LYS 55 9.107 -11.165 7.619 394 2HG LYS 55 2HG LYS 55 9.896 -12.665 7.174 395 1HD LYS 55 1HD LYS 55 10.569 -12.711 9.817 396 2HD LYS 55 2HD LYS 55 11.519 -11.888 8.590 397 1HE LYS 55 1HE LYS 55 9.853 -9.806 9.216 398 2HE LYS 55 2HE LYS 55 9.783 -10.660 10.758 399 1HZ LYS 55 1HZ LYS 55 12.378 -10.032 9.447 400 2HZ LYS 55 2HZ LYS 55 11.620 -8.959 10.449 401 3HZ LYS 55 3HZ LYS 55 12.108 -10.427 11.028 402 H GLU 56 H GLU 56 6.335 -13.508 10.857 403 HA GLU 56 HA GLU 56 4.395 -15.370 9.642 404 1HB GLU 56 1HB GLU 56 5.536 -16.216 11.523 405 2HB GLU 56 2HB GLU 56 5.240 -14.794 12.503 406 1HG GLU 56 1HG GLU 56 2.634 -15.591 12.217 407 2HG GLU 56 2HG GLU 56 3.396 -17.145 11.928 408 H GLU 57 H GLU 57 4.196 -12.268 11.288 409 HA GLU 57 HA GLU 57 1.201 -12.206 11.430 410 1HB GLU 57 1HB GLU 57 1.417 -9.953 12.327 411 2HB GLU 57 2HB GLU 57 3.095 -9.835 11.838 412 1HG GLU 57 1HG GLU 57 3.407 -11.973 13.475 413 2HG GLU 57 2HG GLU 57 3.425 -10.324 14.078 414 H LEU 58 H LEU 58 3.760 -11.142 9.271 415 HA LEU 58 HA LEU 58 2.271 -9.307 7.552 416 1HB LEU 58 1HB LEU 58 4.911 -10.284 7.623 417 2HB LEU 58 2HB LEU 58 4.301 -10.975 6.135 418 HG LEU 58 HG LEU 58 5.393 -8.875 5.597 419 1HD1 LEU 58 1HD1 LEU 58 3.517 -7.372 7.530 420 2HD1 LEU 58 2HD1 LEU 58 5.174 -7.839 7.943 421 3HD1 LEU 58 3HD1 LEU 58 4.884 -6.698 6.607 422 1HD2 LEU 58 1HD2 LEU 58 3.626 -7.622 4.410 423 2HD2 LEU 58 2HD2 LEU 58 3.223 -9.355 4.338 424 3HD2 LEU 58 3HD2 LEU 58 2.363 -8.296 5.471 425 H ASP 59 H ASP 59 2.578 -12.816 7.669 426 HA ASP 59 HA ASP 59 1.293 -13.443 5.101 427 1HB ASP 59 1HB ASP 59 2.782 -15.060 6.317 428 2HB ASP 59 2HB ASP 59 1.286 -15.739 5.720 429 H ALA 60 H ALA 60 0.118 -12.829 8.360 430 HA ALA 60 HA ALA 60 -2.718 -13.564 7.974 431 1HB ALA 60 1HB ALA 60 -3.135 -12.206 10.019 432 2HB ALA 60 2HB ALA 60 -1.754 -13.298 10.238 433 3HB ALA 60 3HB ALA 60 -1.478 -11.559 9.967 434 H ILE 61 H ILE 61 -0.911 -10.486 7.745 435 HA ILE 61 HA ILE 61 -2.939 -8.631 7.110 436 HB ILE 61 HB ILE 61 -0.222 -8.424 7.247 437 1HG1 ILE 61 1HG1 ILE 61 -1.728 -6.166 5.824 438 2HG1 ILE 61 2HG1 ILE 61 -2.224 -6.625 7.439 439 1HG2 ILE 61 1HG2 ILE 61 0.690 -7.544 5.082 440 2HG2 ILE 61 2HG2 ILE 61 0.184 -9.224 4.907 441 3HG2 ILE 61 3HG2 ILE 61 -0.844 -7.924 4.261 442 1HD1 ILE 61 1HD1 ILE 61 0.589 -5.611 6.725 443 2HD1 ILE 61 2HD1 ILE 61 -0.681 -4.756 7.626 444 3HD1 ILE 61 3HD1 ILE 61 0.093 -6.190 8.339 445 H ILE 62 H ILE 62 -1.340 -11.052 5.104 446 HA ILE 62 HA ILE 62 -2.173 -10.224 2.433 447 HB ILE 62 HB ILE 62 -1.138 -12.777 3.614 448 1HG1 ILE 62 1HG1 ILE 62 0.607 -11.485 2.663 449 2HG1 ILE 62 2HG1 ILE 62 -0.381 -10.884 1.349 450 1HG2 ILE 62 1HG2 ILE 62 -1.626 -14.155 1.576 451 2HG2 ILE 62 2HG2 ILE 62 -3.126 -13.675 2.367 452 3HG2 ILE 62 3HG2 ILE 62 -2.603 -12.832 0.891 453 1HD1 ILE 62 1HD1 ILE 62 -0.254 -13.026 0.110 454 2HD1 ILE 62 2HD1 ILE 62 1.372 -12.445 0.526 455 3HD1 ILE 62 3HD1 ILE 62 0.647 -13.778 1.455 456 H GLU 63 H GLU 63 -3.674 -12.444 4.792 457 HA GLU 63 HA GLU 63 -5.998 -13.323 3.437 458 1HB GLU 63 1HB GLU 63 -5.158 -13.744 5.923 459 2HB GLU 63 2HB GLU 63 -6.284 -12.467 6.339 460 1HG GLU 63 1HG GLU 63 -7.089 -14.974 6.455 461 2HG GLU 63 2HG GLU 63 -7.194 -14.909 4.704 462 H GLU 64 H GLU 64 -5.548 -10.247 5.174 463 HA GLU 64 HA GLU 64 -8.273 -9.215 4.806 464 1HB GLU 64 1HB GLU 64 -5.888 -7.372 5.230 465 2HB GLU 64 2HB GLU 64 -6.375 -8.481 6.497 466 1HG GLU 64 1HG GLU 64 -7.342 -6.177 6.787 467 2HG GLU 64 2HG GLU 64 -8.174 -6.307 5.247 468 H VAL 65 H VAL 65 -5.250 -8.903 2.996 469 HA VAL 65 HA VAL 65 -6.051 -6.770 1.141 470 HB VAL 65 HB VAL 65 -3.810 -8.825 1.054 471 1HG1 VAL 65 1HG1 VAL 65 -3.652 -5.743 1.138 472 2HG1 VAL 65 2HG1 VAL 65 -3.656 -6.768 2.585 473 3HG1 VAL 65 3HG1 VAL 65 -2.330 -6.907 1.405 474 1HG2 VAL 65 1HG2 VAL 65 -2.911 -7.937 -1.040 475 2HG2 VAL 65 2HG2 VAL 65 -4.602 -8.382 -1.369 476 3HG2 VAL 65 3HG2 VAL 65 -4.170 -6.682 -1.141 477 H ASP 66 H ASP 66 -5.321 -10.113 0.122 478 HA ASP 66 HA ASP 66 -7.701 -10.046 -1.792 479 1HB ASP 66 1HB ASP 66 -5.195 -10.579 -2.551 480 2HB ASP 66 2HB ASP 66 -5.539 -12.182 -1.943 481 H GLU 67 H GLU 67 -9.098 -10.373 0.013 482 HA GLU 67 HA GLU 67 -9.123 -12.958 1.542 483 1HB GLU 67 1HB GLU 67 -10.131 -11.444 2.897 484 2HB GLU 67 2HB GLU 67 -10.707 -10.438 1.583 485 1HG GLU 67 1HG GLU 67 -12.677 -11.884 1.221 486 2HG GLU 67 2HG GLU 67 -12.043 -13.124 2.291 487 H ASP 68 H ASP 68 -11.233 -11.420 -0.910 488 HA ASP 68 HA ASP 68 -11.467 -13.959 -2.495 489 1HB ASP 68 1HB ASP 68 -14.103 -13.792 -2.389 490 2HB ASP 68 2HB ASP 68 -13.851 -12.949 -0.878 491 H GLY 69 H GLY 69 -10.459 -11.280 -2.845 492 1HA GLY 69 1HA GLY 69 -11.652 -10.542 -5.458 493 2HA GLY 69 2HA GLY 69 -12.164 -9.385 -4.224 494 H SER 70 H SER 70 -10.934 -7.973 -5.717 495 HA SER 70 HA SER 70 -9.088 -6.470 -6.098 496 1HB SER 70 1HB SER 70 -8.925 -6.985 -3.432 497 2HB SER 70 2HB SER 70 -7.383 -7.687 -3.928 498 HG SER 70 HG SER 70 -7.064 -5.563 -3.548 499 H GLY 71 H GLY 71 -6.385 -6.881 -6.025 500 1HA GLY 71 1HA GLY 71 -5.529 -8.143 -8.381 501 2HA GLY 71 2HA GLY 71 -5.652 -9.528 -7.291 502 H THR 72 H THR 72 -4.063 -6.442 -7.826 503 HA THR 72 HA THR 72 -1.615 -7.419 -6.339 504 HB THR 72 HB THR 72 -1.378 -4.843 -7.823 505 HG1 THR 72 HG1 THR 72 -1.442 -5.806 -9.776 506 1HG2 THR 72 1HG2 THR 72 0.815 -5.393 -8.047 507 2HG2 THR 72 2HG2 THR 72 0.525 -6.725 -6.907 508 3HG2 THR 72 3HG2 THR 72 0.453 -7.020 -8.664 509 H ILE 73 H ILE 73 -0.587 -4.719 -5.930 510 HA ILE 73 HA ILE 73 -2.538 -3.477 -3.983 511 HB ILE 73 HB ILE 73 -0.945 -5.058 -2.767 512 1HG1 ILE 73 1HG1 ILE 73 -2.397 -3.074 -1.826 513 2HG1 ILE 73 2HG1 ILE 73 -1.234 -3.892 -0.798 514 1HG2 ILE 73 1HG2 ILE 73 1.305 -4.306 -2.090 515 2HG2 ILE 73 2HG2 ILE 73 1.242 -4.404 -3.855 516 3HG2 ILE 73 3HG2 ILE 73 1.159 -2.817 -3.053 517 1HD1 ILE 73 1HD1 ILE 73 -0.585 -1.748 -0.237 518 2HD1 ILE 73 2HD1 ILE 73 0.398 -1.869 -1.712 519 3HD1 ILE 73 3HD1 ILE 73 -1.179 -1.045 -1.768 520 H ASP 74 H ASP 74 -2.703 -1.381 -4.252 521 HA ASP 74 HA ASP 74 -0.806 0.015 -6.193 522 1HB ASP 74 1HB ASP 74 -3.128 1.610 -5.840 523 2HB ASP 74 2HB ASP 74 -3.646 -0.083 -6.096 524 H PHE 75 H PHE 75 -0.892 2.515 -5.781 525 HA PHE 75 HA PHE 75 0.525 2.995 -3.213 526 1HB PHE 75 1HB PHE 75 -0.315 5.292 -5.019 527 2HB PHE 75 2HB PHE 75 0.793 4.115 -5.674 528 HD1 PHE 75 HD1 PHE 75 1.070 4.579 -2.026 529 HD2 PHE 75 HD2 PHE 75 2.423 6.097 -5.820 530 HE1 PHE 75 HE1 PHE 75 2.821 5.884 -0.892 531 HE2 PHE 75 HE2 PHE 75 4.125 7.447 -4.659 532 HZ PHE 75 HZ PHE 75 4.331 7.340 -2.201 533 H GLU 76 H GLU 76 -2.680 3.570 -4.543 534 HA GLU 76 HA GLU 76 -3.744 5.451 -2.585 535 1HB GLU 76 1HB GLU 76 -5.230 5.406 -4.277 536 2HB GLU 76 2HB GLU 76 -6.028 4.213 -3.273 537 1HG GLU 76 1HG GLU 76 -4.312 3.705 -5.775 538 2HG GLU 76 2HG GLU 76 -4.699 2.402 -4.664 539 H GLU 77 H GLU 77 -4.478 1.963 -2.829 540 HA GLU 77 HA GLU 77 -5.502 1.480 -0.182 541 1HB GLU 77 1HB GLU 77 -5.747 -0.225 -1.869 542 2HB GLU 77 2HB GLU 77 -4.015 -0.415 -2.061 543 1HG GLU 77 1HG GLU 77 -4.651 -2.323 -0.795 544 2HG GLU 77 2HG GLU 77 -3.954 -1.257 0.413 545 H PHE 78 H PHE 78 -2.198 1.776 -1.353 546 HA PHE 78 HA PHE 78 -0.736 0.631 0.877 547 1HB PHE 78 1HB PHE 78 0.012 2.604 -1.317 548 2HB PHE 78 2HB PHE 78 0.533 0.954 -1.093 549 HD1 PHE 78 HD1 PHE 78 2.158 3.700 -1.474 550 HD2 PHE 78 HD2 PHE 78 1.365 1.163 1.910 551 HE1 PHE 78 HE1 PHE 78 4.171 4.558 -0.344 552 HE2 PHE 78 HE2 PHE 78 3.459 1.922 2.956 553 HZ PHE 78 HZ PHE 78 4.831 3.663 1.864 554 H LEU 79 H LEU 79 -1.892 3.933 0.241 555 HA LEU 79 HA LEU 79 -0.767 5.200 2.691 556 1HB LEU 79 1HB LEU 79 -3.162 6.264 1.104 557 2HB LEU 79 2HB LEU 79 -2.052 7.164 2.115 558 HG LEU 79 HG LEU 79 -0.641 5.799 -0.132 559 1HD1 LEU 79 1HD1 LEU 79 -0.800 8.787 0.621 560 2HD1 LEU 79 2HD1 LEU 79 0.337 7.635 1.345 561 3HD1 LEU 79 3HD1 LEU 79 0.437 8.003 -0.395 562 1HD2 LEU 79 1HD2 LEU 79 -1.539 7.124 -1.997 563 2HD2 LEU 79 2HD2 LEU 79 -2.914 6.281 -1.243 564 3HD2 LEU 79 3HD2 LEU 79 -2.655 8.001 -0.920 565 H VAL 80 H VAL 80 -3.760 3.596 1.747 566 HA VAL 80 HA VAL 80 -5.479 4.312 3.978 567 HB VAL 80 HB VAL 80 -5.533 1.817 2.213 568 1HG1 VAL 80 1HG1 VAL 80 -7.845 1.378 3.065 569 2HG1 VAL 80 2HG1 VAL 80 -6.659 1.229 4.368 570 3HG1 VAL 80 3HG1 VAL 80 -7.673 2.686 4.264 571 1HG2 VAL 80 1HG2 VAL 80 -7.368 4.303 2.191 572 2HG2 VAL 80 2HG2 VAL 80 -6.096 3.956 0.997 573 3HG2 VAL 80 3HG2 VAL 80 -7.498 2.884 1.122 574 H MET 81 H MET 81 -2.991 1.851 3.547 575 HA MET 81 HA MET 81 -3.502 0.357 6.064 576 1HB MET 81 1HB MET 81 -0.880 0.267 4.478 577 2HB MET 81 2HB MET 81 -1.537 -0.947 5.561 578 1HG MET 81 1HG MET 81 -2.252 -0.385 2.676 579 2HG MET 81 2HG MET 81 -3.588 -0.898 3.721 580 1HE MET 81 1HE MET 81 -3.492 -4.461 3.496 581 2HE MET 81 2HE MET 81 -4.307 -2.883 3.293 582 3HE MET 81 3HE MET 81 -3.424 -3.611 1.920 583 H MET 82 H MET 82 -1.428 3.009 5.031 584 HA MET 82 HA MET 82 0.467 3.073 7.249 585 1HB MET 82 1HB MET 82 -0.335 5.032 5.094 586 2HB MET 82 2HB MET 82 0.438 5.710 6.515 587 1HG MET 82 1HG MET 82 1.968 5.031 4.505 588 2HG MET 82 2HG MET 82 1.716 3.353 5.012 589 1HE MET 82 1HE MET 82 3.923 2.754 5.352 590 2HE MET 82 2HE MET 82 5.004 3.248 6.688 591 3HE MET 82 3HE MET 82 3.559 2.253 7.033 592 H VAL 83 H VAL 83 -2.459 5.045 6.648 593 HA VAL 83 HA VAL 83 -2.546 6.394 9.240 594 HB VAL 83 HB VAL 83 -5.107 5.890 7.693 595 1HG1 VAL 83 1HG1 VAL 83 -3.048 7.999 6.793 596 2HG1 VAL 83 2HG1 VAL 83 -3.260 6.444 5.977 597 3HG1 VAL 83 3HG1 VAL 83 -4.610 7.602 6.031 598 1HG2 VAL 83 1HG2 VAL 83 -5.731 8.146 8.388 599 2HG2 VAL 83 2HG2 VAL 83 -5.103 7.332 9.839 600 3HG2 VAL 83 3HG2 VAL 83 -4.088 8.501 8.983 601 NH1 ARG 84 NH1 ARG 84 -9.199 -1.301 8.151 602 NH2 ARG 84 NH2 ARG 84 -10.299 0.337 7.025 603 H ARG 84 H ARG 84 -3.894 3.355 8.023 604 HA ARG 84 HA ARG 84 -5.662 2.578 10.229 605 1HB ARG 84 1HB ARG 84 -4.399 1.208 7.900 606 2HB ARG 84 2HB ARG 84 -4.547 0.166 9.308 607 1HG ARG 84 1HG ARG 84 -6.938 0.373 9.421 608 2HG ARG 84 2HG ARG 84 -6.968 1.798 8.379 609 1HD ARG 84 1HD ARG 84 -5.894 0.158 6.539 610 2HD ARG 84 2HD ARG 84 -6.518 -1.127 7.571 611 HE ARG 84 HE ARG 84 -8.143 0.606 5.817 612 1HH1 ARG 84 1HH1 ARG 84 -10.120 -1.550 8.530 613 2HH1 ARG 84 2HH1 ARG 84 -8.302 -1.746 8.374 614 1HH2 ARG 84 1HH2 ARG 84 -10.248 1.118 6.361 615 2HH2 ARG 84 2HH2 ARG 84 -11.136 -0.004 7.510 616 H GLN 85 H GLN 85 -2.166 2.394 9.752 617 HA GLN 85 HA GLN 85 -1.619 0.553 12.051 618 1HB GLN 85 1HB GLN 85 0.648 2.205 10.964 619 2HB GLN 85 2HB GLN 85 -0.201 1.234 9.774 620 1HG GLN 85 1HG GLN 85 0.793 -0.041 12.377 621 2HG GLN 85 2HG GLN 85 1.889 0.219 11.036 622 1HE2 GLN 85 1HE2 GLN 85 0.128 -3.232 10.883 623 2HE2 GLN 85 2HE2 GLN 85 0.981 -2.303 12.216 624 H MET 86 H MET 86 -1.366 4.028 11.367 625 HA MET 86 HA MET 86 0.098 4.952 13.681 626 1HB MET 86 1HB MET 86 -1.750 6.264 11.702 627 2HB MET 86 2HB MET 86 -1.599 7.088 13.244 628 1HG MET 86 1HG MET 86 0.544 6.614 11.128 629 2HG MET 86 2HG MET 86 1.055 6.775 12.816 630 1HE MET 86 1HE MET 86 1.740 9.951 10.682 631 2HE MET 86 2HE MET 86 2.182 9.893 12.414 632 3HE MET 86 3HE MET 86 2.374 8.435 11.397 633 H LYS 87 H LYS 87 -3.292 4.115 13.242 634 HA LYS 87 HA LYS 87 -4.343 5.099 15.813 635 1HB LYS 87 1HB LYS 87 -6.007 4.678 14.176 636 2HB LYS 87 2HB LYS 87 -5.380 3.099 13.754 637 1HG LYS 87 1HG LYS 87 -6.919 3.862 16.302 638 2HG LYS 87 2HG LYS 87 -6.117 2.314 16.130 639 1HD LYS 87 1HD LYS 87 -8.724 3.220 15.021 640 2HD LYS 87 2HD LYS 87 -7.690 2.564 13.761 641 1HE LYS 87 1HE LYS 87 -7.311 0.491 15.326 642 2HE LYS 87 2HE LYS 87 -8.670 1.091 16.278 643 1HZ LYS 87 1HZ LYS 87 -9.829 -0.141 14.799 644 2HZ LYS 87 2HZ LYS 87 -9.701 1.164 13.795 645 3HZ LYS 87 3HZ LYS 87 -8.662 -0.109 13.631 646 H GLU 88 H GLU 88 -3.695 1.732 14.749 647 HA GLU 88 HA GLU 88 -3.711 0.613 17.510 648 1HB GLU 88 1HB GLU 88 -4.125 -0.515 15.053 649 2HB GLU 88 2HB GLU 88 -2.450 -0.974 15.286 650 1HG GLU 88 1HG GLU 88 -2.939 -2.352 17.186 651 2HG GLU 88 2HG GLU 88 -4.444 -1.522 17.542 652 H ASP 89 H ASP 89 -1.701 -0.834 18.034 653 HA ASP 89 HA ASP 89 0.532 -0.864 18.921 654 1HB ASP 89 1HB ASP 89 2.348 -0.600 17.315 655 2HB ASP 89 2HB ASP 89 1.349 0.329 16.220 656 H ALA 90 H ALA 90 -1.025 1.277 19.700 657 HA ALA 90 HA ALA 90 0.522 3.861 19.554 658 1HB ALA 90 1HB ALA 90 -1.846 4.227 19.787 659 2HB ALA 90 2HB ALA 90 -2.020 3.003 21.060 660 3HB ALA 90 3HB ALA 90 -1.218 4.551 21.422 Start of MODEL 14 Raw file had 660 H/Q atoms Start of MODEL 14 1 1H ALA 1 1H ALA 1 -22.987 -2.498 0.236 2 2H ALA 1 2H ALA 1 -22.621 -0.875 -0.006 3 3H ALA 1 3H ALA 1 -22.348 -1.990 -1.234 4 HA ALA 1 HA ALA 1 -20.842 -1.444 1.203 5 1HB ALA 1 1HB ALA 1 -19.750 -3.834 0.794 6 2HB ALA 1 2HB ALA 1 -21.246 -3.718 1.741 7 3HB ALA 1 3HB ALA 1 -21.309 -4.244 0.039 8 H SER 2 H SER 2 -19.657 0.063 0.172 9 HA SER 2 HA SER 2 -17.678 -0.762 -1.948 10 1HB SER 2 1HB SER 2 -19.155 1.669 -2.852 11 2HB SER 2 2HB SER 2 -18.500 0.316 -3.777 12 HG SER 2 HG SER 2 -20.752 0.361 -3.779 13 H MET 3 H MET 3 -15.844 0.305 -1.663 14 HA MET 3 HA MET 3 -15.658 2.660 0.267 15 1HB MET 3 1HB MET 3 -13.484 0.853 -0.931 16 2HB MET 3 2HB MET 3 -13.123 2.316 -0.035 17 1HG MET 3 1HG MET 3 -14.725 1.142 1.847 18 2HG MET 3 2HG MET 3 -12.986 0.828 1.731 19 1HE MET 3 1HE MET 3 -11.992 -1.041 1.718 20 2HE MET 3 2HE MET 3 -13.028 -2.242 2.545 21 3HE MET 3 3HE MET 3 -12.410 -2.580 0.901 22 H THR 4 H THR 4 -16.856 3.892 -1.380 23 HA THR 4 HA THR 4 -15.526 4.637 -3.956 24 HB THR 4 HB THR 4 -17.396 5.956 -4.491 25 HG1 THR 4 HG1 THR 4 -18.880 6.642 -3.016 26 1HG2 THR 4 1HG2 THR 4 -19.417 4.601 -4.093 27 2HG2 THR 4 2HG2 THR 4 -18.057 3.518 -4.465 28 3HG2 THR 4 3HG2 THR 4 -18.630 3.691 -2.785 29 H ASP 5 H ASP 5 -15.181 5.582 -0.704 30 HA ASP 5 HA ASP 5 -13.432 7.908 -1.447 31 1HB ASP 5 1HB ASP 5 -14.697 9.322 0.470 32 2HB ASP 5 2HB ASP 5 -15.076 9.452 -1.232 33 H GLN 6 H GLN 6 -13.138 5.277 -0.321 34 HA GLN 6 HA GLN 6 -12.290 5.659 2.568 35 1HB GLN 6 1HB GLN 6 -13.258 3.444 1.485 36 2HB GLN 6 2HB GLN 6 -11.635 3.219 0.858 37 1HG GLN 6 1HG GLN 6 -11.313 2.056 2.797 38 2HG GLN 6 2HG GLN 6 -10.938 3.633 3.461 39 1HE2 GLN 6 1HE2 GLN 6 -13.729 1.648 5.383 40 2HE2 GLN 6 2HE2 GLN 6 -12.099 1.160 4.696 41 H GLN 7 H GLN 7 -10.963 5.455 -0.692 42 HA GLN 7 HA GLN 7 -8.113 5.176 -0.043 43 1HB GLN 7 1HB GLN 7 -7.822 6.244 -2.446 44 2HB GLN 7 2HB GLN 7 -8.461 4.622 -2.243 45 1HG GLN 7 1HG GLN 7 -10.510 5.140 -3.123 46 2HG GLN 7 2HG GLN 7 -10.637 6.661 -2.264 47 1HE2 GLN 7 1HE2 GLN 7 -10.197 8.267 -5.440 48 2HE2 GLN 7 2HE2 GLN 7 -11.271 7.934 -3.991 49 H ALA 8 H ALA 8 -10.290 7.935 -0.397 50 HA ALA 8 HA ALA 8 -8.199 10.046 -0.465 51 1HB ALA 8 1HB ALA 8 -10.463 11.451 0.140 52 2HB ALA 8 2HB ALA 8 -10.060 10.901 -1.499 53 3HB ALA 8 3HB ALA 8 -11.214 9.973 -0.507 54 H GLU 9 H GLU 9 -10.180 8.479 1.986 55 HA GLU 9 HA GLU 9 -10.082 10.340 4.175 56 1HB GLU 9 1HB GLU 9 -11.557 8.594 4.550 57 2HB GLU 9 2HB GLU 9 -10.440 7.347 4.031 58 1HG GLU 9 1HG GLU 9 -10.837 8.550 6.760 59 2HG GLU 9 2HG GLU 9 -9.152 8.291 6.340 60 H ALA 10 H ALA 10 -7.679 8.047 3.000 61 HA ALA 10 HA ALA 10 -5.852 8.127 5.317 62 1HB ALA 10 1HB ALA 10 -4.254 6.923 3.834 63 2HB ALA 10 2HB ALA 10 -5.875 6.208 3.750 64 3HB ALA 10 3HB ALA 10 -5.286 7.233 2.417 65 NH1 ARG 11 NH1 ARG 11 -6.432 11.816 -3.809 66 NH2 ARG 11 NH2 ARG 11 -5.998 13.937 -3.120 67 H ARG 11 H ARG 11 -5.912 9.759 2.150 68 HA ARG 11 HA ARG 11 -3.296 11.094 2.263 69 1HB ARG 11 1HB ARG 11 -5.827 11.575 0.615 70 2HB ARG 11 2HB ARG 11 -4.524 12.755 0.593 71 1HG ARG 11 1HG ARG 11 -2.951 11.274 -0.405 72 2HG ARG 11 2HG ARG 11 -3.833 9.824 0.078 73 1HD ARG 11 1HD ARG 11 -4.189 10.099 -2.319 74 2HD ARG 11 2HD ARG 11 -5.722 10.456 -1.527 75 HE ARG 11 HE ARG 11 -3.926 12.818 -2.182 76 1HH1 ARG 11 1HH1 ARG 11 -6.785 14.208 -3.720 77 2HH1 ARG 11 2HH1 ARG 11 -5.411 14.562 -2.557 78 1HH2 ARG 11 1HH2 ARG 11 -6.269 10.812 -3.675 79 2HH2 ARG 11 2HH2 ARG 11 -7.091 12.249 -4.467 80 H ALA 12 H ALA 12 -6.536 11.941 3.380 81 HA ALA 12 HA ALA 12 -6.078 14.802 3.953 82 1HB ALA 12 1HB ALA 12 -8.215 14.701 5.218 83 2HB ALA 12 2HB ALA 12 -8.365 13.899 3.642 84 3HB ALA 12 3HB ALA 12 -8.224 12.923 5.126 85 H PHE 13 H PHE 13 -5.510 11.814 5.705 86 HA PHE 13 HA PHE 13 -5.320 12.927 8.424 87 1HB PHE 13 1HB PHE 13 -4.071 10.296 7.442 88 2HB PHE 13 2HB PHE 13 -5.778 10.469 7.753 89 HD1 PHE 13 HD1 PHE 13 -4.687 12.602 10.203 90 HD2 PHE 13 HD2 PHE 13 -4.296 8.427 9.232 91 HE1 PHE 13 HE1 PHE 13 -4.381 12.065 12.585 92 HE2 PHE 13 HE2 PHE 13 -4.011 7.909 11.619 93 HZ PHE 13 HZ PHE 13 -4.057 9.721 13.299 94 H LEU 14 H LEU 14 -3.004 12.225 5.840 95 HA LEU 14 HA LEU 14 -0.654 13.211 7.536 96 1HB LEU 14 1HB LEU 14 -0.209 11.012 6.692 97 2HB LEU 14 2HB LEU 14 0.805 12.131 5.808 98 HG LEU 14 HG LEU 14 -1.676 10.640 4.786 99 1HD1 LEU 14 1HD1 LEU 14 -1.491 11.878 2.623 100 2HD1 LEU 14 2HD1 LEU 14 -1.880 12.990 3.949 101 3HD1 LEU 14 3HD1 LEU 14 -0.221 12.929 3.302 102 1HD2 LEU 14 1HD2 LEU 14 1.245 10.718 3.772 103 2HD2 LEU 14 2HD2 LEU 14 0.475 9.376 4.652 104 3HD2 LEU 14 3HD2 LEU 14 -0.089 9.800 3.029 105 H SER 15 H SER 15 0.993 14.446 6.292 106 HA SER 15 HA SER 15 -0.286 16.809 4.950 107 1HB SER 15 1HB SER 15 2.544 16.263 5.975 108 2HB SER 15 2HB SER 15 2.147 17.714 5.051 109 HG SER 15 HG SER 15 0.240 17.498 6.807 110 H GLU 16 H GLU 16 0.547 17.705 2.973 111 HA GLU 16 HA GLU 16 0.766 15.734 0.773 112 1HB GLU 16 1HB GLU 16 1.322 18.648 0.227 113 2HB GLU 16 2HB GLU 16 -0.251 18.252 0.888 114 1HG GLU 16 1HG GLU 16 -0.283 16.419 -1.115 115 2HG GLU 16 2HG GLU 16 -0.784 18.084 -1.357 116 H GLU 17 H GLU 17 2.952 17.878 2.490 117 HA GLU 17 HA GLU 17 5.244 17.827 0.655 118 1HB GLU 17 1HB GLU 17 5.519 19.539 2.156 119 2HB GLU 17 2HB GLU 17 4.901 18.637 3.525 120 1HG GLU 17 1HG GLU 17 7.569 17.696 2.423 121 2HG GLU 17 2HG GLU 17 6.997 17.735 4.082 122 H MET 18 H MET 18 4.154 15.697 3.244 123 HA MET 18 HA MET 18 6.605 14.025 3.401 124 1HB MET 18 1HB MET 18 3.794 13.728 4.570 125 2HB MET 18 2HB MET 18 5.297 14.102 5.396 126 1HG MET 18 1HG MET 18 5.039 11.383 4.013 127 2HG MET 18 2HG MET 18 4.229 11.659 5.564 128 1HE MET 18 1HE MET 18 6.635 11.061 8.124 129 2HE MET 18 2HE MET 18 5.009 10.913 7.393 130 3HE MET 18 3HE MET 18 6.265 9.696 7.024 131 H ILE 19 H ILE 19 3.527 13.900 1.686 132 HA ILE 19 HA ILE 19 3.608 11.249 0.487 133 HB ILE 19 HB ILE 19 2.512 13.833 -0.735 134 1HG1 ILE 19 1HG1 ILE 19 1.249 11.692 1.062 135 2HG1 ILE 19 2HG1 ILE 19 1.185 13.434 1.221 136 1HG2 ILE 19 1HG2 ILE 19 1.220 12.384 -2.319 137 2HG2 ILE 19 2HG2 ILE 19 2.952 12.137 -2.539 138 3HG2 ILE 19 3HG2 ILE 19 1.998 10.926 -1.654 139 1HD1 ILE 19 1HD1 ILE 19 -0.375 11.837 -0.893 140 2HD1 ILE 19 2HD1 ILE 19 -1.017 12.659 0.544 141 3HD1 ILE 19 3HD1 ILE 19 -0.333 13.618 -0.790 142 H ALA 20 H ALA 20 5.153 14.324 -0.393 143 HA ALA 20 HA ALA 20 6.261 13.854 -2.937 144 1HB ALA 20 1HB ALA 20 7.680 15.661 -2.553 145 2HB ALA 20 2HB ALA 20 6.489 15.915 -1.263 146 3HB ALA 20 3HB ALA 20 8.073 15.192 -0.882 147 H GLU 21 H GLU 21 8.098 13.270 0.091 148 HA GLU 21 HA GLU 21 10.265 11.782 -1.260 149 1HB GLU 21 1HB GLU 21 10.727 13.171 0.696 150 2HB GLU 21 2HB GLU 21 11.285 11.525 0.918 151 1HG GLU 21 1HG GLU 21 9.123 11.104 2.328 152 2HG GLU 21 2HG GLU 21 8.829 12.833 2.239 153 H PHE 22 H PHE 22 7.274 10.897 0.316 154 HA PHE 22 HA PHE 22 7.805 8.187 1.186 155 1HB PHE 22 1HB PHE 22 5.613 9.807 1.357 156 2HB PHE 22 2HB PHE 22 5.057 8.795 0.051 157 HD1 PHE 22 HD1 PHE 22 7.227 7.753 2.995 158 HD2 PHE 22 HD2 PHE 22 3.371 7.450 1.104 159 HE1 PHE 22 HE1 PHE 22 6.557 6.026 4.613 160 HE2 PHE 22 HE2 PHE 22 2.722 5.721 2.731 161 HZ PHE 22 HZ PHE 22 4.299 5.025 4.501 162 H LYS 23 H LYS 23 6.245 9.286 -1.841 163 HA LYS 23 HA LYS 23 5.904 6.835 -3.234 164 1HB LYS 23 1HB LYS 23 5.047 9.005 -4.090 165 2HB LYS 23 2HB LYS 23 6.666 9.553 -4.468 166 1HG LYS 23 1HG LYS 23 5.498 8.843 -6.503 167 2HG LYS 23 2HG LYS 23 6.900 7.826 -6.235 168 1HD LYS 23 1HD LYS 23 5.425 5.973 -5.360 169 2HD LYS 23 2HD LYS 23 4.024 7.022 -5.499 170 1HE LYS 23 1HE LYS 23 5.602 5.697 -7.746 171 2HE LYS 23 2HE LYS 23 3.861 5.681 -7.461 172 1HZ LYS 23 1HZ LYS 23 5.513 7.796 -8.678 173 2HZ LYS 23 2HZ LYS 23 4.068 7.175 -9.183 174 3HZ LYS 23 3HZ LYS 23 4.113 8.240 -7.921 175 H ALA 24 H ALA 24 8.836 8.726 -2.761 176 HA ALA 24 HA ALA 24 10.714 7.750 -4.624 177 1HB ALA 24 1HB ALA 24 12.488 8.123 -2.923 178 2HB ALA 24 2HB ALA 24 11.297 9.437 -2.908 179 3HB ALA 24 3HB ALA 24 11.272 8.200 -1.625 180 H ALA 25 H ALA 25 10.213 6.274 -1.397 181 HA ALA 25 HA ALA 25 11.859 3.924 -1.763 182 1HB ALA 25 1HB ALA 25 10.704 2.996 0.236 183 2HB ALA 25 2HB ALA 25 11.135 4.700 0.476 184 3HB ALA 25 3HB ALA 25 9.445 4.250 0.130 185 H PHE 26 H PHE 26 8.485 4.562 -2.544 186 HA PHE 26 HA PHE 26 7.481 1.876 -2.945 187 1HB PHE 26 1HB PHE 26 6.568 4.391 -4.464 188 2HB PHE 26 2HB PHE 26 6.093 4.019 -2.828 189 HD1 PHE 26 HD1 PHE 26 5.672 0.955 -3.133 190 HD2 PHE 26 HD2 PHE 26 4.487 4.248 -5.635 191 HE1 PHE 26 HE1 PHE 26 3.798 -0.376 -4.017 192 HE2 PHE 26 HE2 PHE 26 2.622 2.900 -6.511 193 HZ PHE 26 HZ PHE 26 2.242 0.611 -5.664 194 H ASP 27 H ASP 27 9.092 4.147 -5.156 195 HA ASP 27 HA ASP 27 8.853 2.551 -7.608 196 1HB ASP 27 1HB ASP 27 9.517 5.140 -7.243 197 2HB ASP 27 2HB ASP 27 11.148 4.512 -7.301 198 H MET 28 H MET 28 11.255 2.757 -5.034 199 HA MET 28 HA MET 28 13.523 1.412 -6.147 200 1HB MET 28 1HB MET 28 12.540 1.819 -3.362 201 2HB MET 28 2HB MET 28 13.493 0.358 -3.548 202 1HG MET 28 1HG MET 28 14.624 2.935 -4.734 203 2HG MET 28 2HG MET 28 14.650 2.720 -2.976 204 1HE MET 28 1HE MET 28 16.044 0.854 -1.658 205 2HE MET 28 2HE MET 28 14.986 -0.355 -2.443 206 3HE MET 28 3HE MET 28 16.760 -0.577 -2.466 207 H PHE 29 H PHE 29 10.465 0.103 -4.990 208 HA PHE 29 HA PHE 29 11.261 -2.791 -5.191 209 1HB PHE 29 1HB PHE 29 8.466 -1.535 -4.812 210 2HB PHE 29 2HB PHE 29 8.787 -3.247 -4.835 211 HD1 PHE 29 HD1 PHE 29 10.723 -4.078 -3.091 212 HD2 PHE 29 HD2 PHE 29 8.396 -0.483 -2.655 213 HE1 PHE 29 HE1 PHE 29 11.180 -4.061 -0.673 214 HE2 PHE 29 HE2 PHE 29 8.853 -0.495 -0.237 215 HZ PHE 29 HZ PHE 29 10.249 -2.273 0.756 216 H ASP 30 H ASP 30 9.202 -0.496 -6.984 217 HA ASP 30 HA ASP 30 9.318 -2.321 -9.449 218 1HB ASP 30 1HB ASP 30 7.116 -0.757 -9.988 219 2HB ASP 30 2HB ASP 30 6.997 -0.831 -8.245 220 H ALA 31 H ALA 31 11.331 -1.262 -9.895 221 HA ALA 31 HA ALA 31 11.796 1.564 -10.307 222 1HB ALA 31 1HB ALA 31 13.734 0.864 -11.718 223 2HB ALA 31 2HB ALA 31 13.636 -0.083 -10.221 224 3HB ALA 31 3HB ALA 31 13.131 -0.810 -11.769 225 H ASP 32 H ASP 32 10.710 -0.954 -12.585 226 HA ASP 32 HA ASP 32 9.742 1.194 -14.545 227 1HB ASP 32 1HB ASP 32 10.038 -0.651 -16.360 228 2HB ASP 32 2HB ASP 32 11.022 -1.509 -15.197 229 H GLY 33 H GLY 33 7.704 1.291 -13.720 230 1HA GLY 33 1HA GLY 33 5.793 -0.929 -14.495 231 2HA GLY 33 2HA GLY 33 5.849 -0.576 -12.766 232 H GLY 34 H GLY 34 5.411 1.619 -12.056 233 1HA GLY 34 1HA GLY 34 3.015 2.796 -13.441 234 2HA GLY 34 2HA GLY 34 4.420 3.867 -13.482 235 H GLY 35 H GLY 35 2.494 1.903 -11.221 236 1HA GLY 35 1HA GLY 35 3.320 3.360 -8.745 237 2HA GLY 35 2HA GLY 35 1.766 3.949 -9.346 238 H ASP 36 H ASP 36 3.221 0.695 -9.286 239 HA ASP 36 HA ASP 36 1.186 -0.356 -7.318 240 1HB ASP 36 1HB ASP 36 0.250 -2.100 -8.747 241 2HB ASP 36 2HB ASP 36 -0.101 -0.517 -9.402 242 H ILE 37 H ILE 37 1.756 -2.377 -6.487 243 HA ILE 37 HA ILE 37 4.355 -3.728 -7.307 244 HB ILE 37 HB ILE 37 5.397 -3.639 -5.135 245 1HG1 ILE 37 1HG1 ILE 37 3.204 -1.714 -4.117 246 2HG1 ILE 37 2HG1 ILE 37 3.226 -3.423 -3.737 247 1HG2 ILE 37 1HG2 ILE 37 6.131 -1.251 -5.103 248 2HG2 ILE 37 2HG2 ILE 37 5.937 -1.807 -6.771 249 3HG2 ILE 37 3HG2 ILE 37 4.699 -0.760 -6.039 250 1HD1 ILE 37 1HD1 ILE 37 5.410 -1.436 -2.882 251 2HD1 ILE 37 2HD1 ILE 37 4.188 -2.219 -1.856 252 3HD1 ILE 37 3HD1 ILE 37 5.472 -3.198 -2.603 253 H SER 38 H SER 38 4.622 -5.685 -5.764 254 HA SER 38 HA SER 38 2.110 -7.302 -5.752 255 1HB SER 38 1HB SER 38 4.682 -8.016 -6.132 256 2HB SER 38 2HB SER 38 4.619 -8.310 -4.392 257 HG SER 38 HG SER 38 3.256 -9.876 -4.677 258 H THR 39 H THR 39 1.285 -8.359 -3.872 259 HA THR 39 HA THR 39 1.018 -6.549 -1.488 260 HB THR 39 HB THR 39 -0.941 -7.767 -2.608 261 HG1 THR 39 HG1 THR 39 -1.843 -8.186 -0.473 262 1HG2 THR 39 1HG2 THR 39 -1.581 -9.992 -1.790 263 2HG2 THR 39 2HG2 THR 39 -0.019 -10.124 -2.630 264 3HG2 THR 39 3HG2 THR 39 -0.080 -10.146 -0.848 265 H LYS 40 H LYS 40 2.501 -9.618 -2.360 266 HA LYS 40 HA LYS 40 3.076 -10.743 0.254 267 1HB LYS 40 1HB LYS 40 4.102 -11.155 -2.523 268 2HB LYS 40 2HB LYS 40 3.585 -12.327 -1.331 269 1HG LYS 40 1HG LYS 40 6.330 -10.945 -1.469 270 2HG LYS 40 2HG LYS 40 5.847 -11.966 -0.128 271 1HD LYS 40 1HD LYS 40 6.012 -13.966 -1.384 272 2HD LYS 40 2HD LYS 40 5.577 -13.171 -2.888 273 1HE LYS 40 1HE LYS 40 7.799 -13.452 -3.402 274 2HE LYS 40 2HE LYS 40 8.005 -11.939 -2.518 275 1HZ LYS 40 1HZ LYS 40 8.208 -13.629 -0.496 276 2HZ LYS 40 2HZ LYS 40 8.674 -14.672 -1.690 277 3HZ LYS 40 3HZ LYS 40 9.507 -13.266 -1.451 278 H GLU 41 H GLU 41 4.661 -8.253 -1.666 279 HA GLU 41 HA GLU 41 6.961 -7.973 0.298 280 1HB GLU 41 1HB GLU 41 8.064 -6.576 -1.363 281 2HB GLU 41 2HB GLU 41 6.623 -6.487 -2.355 282 1HG GLU 41 1HG GLU 41 6.873 -8.709 -3.187 283 2HG GLU 41 2HG GLU 41 7.810 -9.247 -1.804 284 H LEU 42 H LEU 42 4.092 -6.331 -0.880 285 HA LEU 42 HA LEU 42 4.248 -3.654 -0.248 286 1HB LEU 42 1HB LEU 42 2.023 -5.654 -0.042 287 2HB LEU 42 2HB LEU 42 2.131 -4.177 -0.976 288 HG LEU 42 HG LEU 42 1.855 -2.948 1.387 289 1HD1 LEU 42 1HD1 LEU 42 -0.639 -2.968 1.096 290 2HD1 LEU 42 2HD1 LEU 42 0.188 -2.778 -0.457 291 3HD1 LEU 42 3HD1 LEU 42 -0.513 -4.355 -0.016 292 1HD2 LEU 42 1HD2 LEU 42 0.606 -5.703 2.038 293 2HD2 LEU 42 2HD2 LEU 42 2.035 -4.989 2.827 294 3HD2 LEU 42 3HD2 LEU 42 0.448 -4.223 3.019 295 H GLY 43 H GLY 43 3.618 -6.218 2.174 296 1HA GLY 43 1HA GLY 43 3.615 -4.745 4.651 297 2HA GLY 43 2HA GLY 43 4.263 -6.383 4.496 298 H THR 44 H THR 44 6.459 -6.462 3.330 299 HA THR 44 HA THR 44 8.566 -5.531 4.846 300 HB THR 44 HB THR 44 8.521 -6.129 1.869 301 HG1 THR 44 HG1 THR 44 8.330 -7.847 3.163 302 1HG2 THR 44 1HG2 THR 44 11.021 -6.210 1.857 303 2HG2 THR 44 2HG2 THR 44 10.434 -4.549 2.087 304 3HG2 THR 44 3HG2 THR 44 11.066 -5.469 3.477 305 H VAL 45 H VAL 45 6.852 -3.704 2.390 306 HA VAL 45 HA VAL 45 8.555 -1.395 2.037 307 HB VAL 45 HB VAL 45 5.514 -1.154 2.098 308 1HG1 VAL 45 1HG1 VAL 45 7.129 -2.142 -0.337 309 2HG1 VAL 45 2HG1 VAL 45 6.218 -3.222 0.725 310 3HG1 VAL 45 3HG1 VAL 45 5.360 -1.969 -0.200 311 1HG2 VAL 45 1HG2 VAL 45 5.781 0.587 0.410 312 2HG2 VAL 45 2HG2 VAL 45 6.925 0.976 1.715 313 3HG2 VAL 45 3HG2 VAL 45 7.520 0.244 0.218 314 H MET 46 H MET 46 5.683 -1.588 4.181 315 HA MET 46 HA MET 46 6.673 0.726 5.852 316 1HB MET 46 1HB MET 46 4.318 0.077 7.062 317 2HB MET 46 2HB MET 46 4.024 -0.704 5.518 318 1HG MET 46 1HG MET 46 4.629 1.587 4.387 319 2HG MET 46 2HG MET 46 3.087 1.473 5.249 320 1HE MET 46 1HE MET 46 3.139 1.651 7.955 321 2HE MET 46 2HE MET 46 4.821 1.595 8.560 322 3HE MET 46 3HE MET 46 3.860 3.092 8.740 323 NH1 ARG 47 NH1 ARG 47 11.360 -8.434 7.815 324 NH2 ARG 47 NH2 ARG 47 12.027 -7.984 9.939 325 H ARG 47 H ARG 47 7.938 -2.035 5.912 326 HA ARG 47 HA ARG 47 7.587 -2.703 8.898 327 1HB ARG 47 1HB ARG 47 6.885 -4.511 7.208 328 2HB ARG 47 2HB ARG 47 8.560 -4.591 6.682 329 1HG ARG 47 1HG ARG 47 8.762 -4.852 9.507 330 2HG ARG 47 2HG ARG 47 7.315 -5.776 9.097 331 1HD ARG 47 1HD ARG 47 9.331 -6.429 7.095 332 2HD ARG 47 2HD ARG 47 8.577 -7.498 8.276 333 HE ARG 47 HE ARG 47 10.733 -5.853 9.510 334 1HH1 ARG 47 1HH1 ARG 47 12.679 -8.766 9.815 335 2HH1 ARG 47 2HH1 ARG 47 11.909 -7.410 10.781 336 1HH2 ARG 47 1HH2 ARG 47 10.683 -8.256 7.065 337 2HH2 ARG 47 2HH2 ARG 47 12.116 -9.128 7.808 338 H MET 48 H MET 48 9.807 -2.169 6.205 339 HA MET 48 HA MET 48 12.274 -2.679 7.867 340 1HB MET 48 1HB MET 48 12.391 -1.547 5.031 341 2HB MET 48 2HB MET 48 11.878 -3.209 5.264 342 1HG MET 48 1HG MET 48 14.116 -3.522 6.649 343 2HG MET 48 2HG MET 48 14.611 -1.986 5.920 344 1HE MET 48 1HE MET 48 16.793 -3.388 4.328 345 2HE MET 48 2HE MET 48 16.218 -4.412 5.677 346 3HE MET 48 3HE MET 48 16.363 -5.102 4.034 347 H LEU 49 H LEU 49 10.261 -0.064 6.943 348 HA LEU 49 HA LEU 49 12.079 1.926 8.390 349 1HB LEU 49 1HB LEU 49 12.540 2.837 6.363 350 2HB LEU 49 2HB LEU 49 10.960 3.586 6.550 351 HG LEU 49 HG LEU 49 11.077 0.886 5.146 352 1HD1 LEU 49 1HD1 LEU 49 11.815 3.508 3.699 353 2HD1 LEU 49 2HD1 LEU 49 12.984 2.253 4.147 354 3HD1 LEU 49 3HD1 LEU 49 11.694 1.884 2.976 355 1HD2 LEU 49 1HD2 LEU 49 9.159 1.757 3.875 356 2HD2 LEU 49 2HD2 LEU 49 8.862 2.120 5.593 357 3HD2 LEU 49 3HD2 LEU 49 9.411 3.404 4.507 358 H GLY 50 H GLY 50 9.713 0.328 9.162 359 1HA GLY 50 1HA GLY 50 7.116 1.010 9.209 360 2HA GLY 50 2HA GLY 50 7.718 2.569 9.784 361 H GLN 51 H GLN 51 8.499 -0.830 10.551 362 HA GLN 51 HA GLN 51 8.330 -0.294 13.550 363 1HB GLN 51 1HB GLN 51 6.684 -2.584 12.351 364 2HB GLN 51 2HB GLN 51 6.699 -1.991 14.003 365 1HG GLN 51 1HG GLN 51 5.906 0.306 12.584 366 2HG GLN 51 2HG GLN 51 5.172 -0.972 11.637 367 1HE2 GLN 51 1HE2 GLN 51 2.627 -0.152 14.224 368 2HE2 GLN 51 2HE2 GLN 51 3.482 0.719 12.854 369 H ASN 52 H ASN 52 8.257 -3.108 14.142 370 HA ASN 52 HA ASN 52 10.626 -4.394 12.843 371 1HB ASN 52 1HB ASN 52 11.498 -2.578 14.501 372 2HB ASN 52 2HB ASN 52 10.992 -3.643 15.795 373 1HD2 ASN 52 1HD2 ASN 52 14.333 -4.981 15.495 374 2HD2 ASN 52 2HD2 ASN 52 13.171 -3.937 16.457 375 HA PRO 53 HA PRO 53 7.683 -7.004 15.705 376 1HB PRO 53 1HB PRO 53 5.695 -5.842 15.103 377 2HB PRO 53 2HB PRO 53 5.389 -7.424 14.358 378 1HG PRO 53 1HG PRO 53 5.989 -6.755 12.180 379 2HG PRO 53 2HG PRO 53 5.317 -5.212 12.764 380 1HD PRO 53 1HD PRO 53 7.983 -5.632 11.852 381 2HD PRO 53 2HD PRO 53 7.452 -4.246 12.852 382 H THR 54 H THR 54 6.159 -9.125 14.737 383 HA THR 54 HA THR 54 8.276 -11.084 14.054 384 HB THR 54 HB THR 54 5.465 -11.242 14.983 385 HG1 THR 54 HG1 THR 54 7.351 -11.634 16.191 386 1HG2 THR 54 1HG2 THR 54 5.074 -13.594 14.325 387 2HG2 THR 54 2HG2 THR 54 5.161 -12.571 12.872 388 3HG2 THR 54 3HG2 THR 54 6.543 -13.603 13.319 389 H LYS 55 H LYS 55 8.307 -12.481 12.256 390 HA LYS 55 HA LYS 55 7.869 -11.126 9.633 391 1HB LYS 55 1HB LYS 55 9.835 -12.434 9.663 392 2HB LYS 55 2HB LYS 55 9.089 -13.783 10.494 393 1HG LYS 55 1HG LYS 55 7.694 -14.146 8.295 394 2HG LYS 55 2HG LYS 55 8.786 -13.002 7.540 395 1HD LYS 55 1HD LYS 55 10.666 -14.482 7.669 396 2HD LYS 55 2HD LYS 55 9.992 -15.364 9.030 397 1HE LYS 55 1HE LYS 55 8.442 -15.559 6.431 398 2HE LYS 55 2HE LYS 55 9.997 -16.390 6.491 399 1HZ LYS 55 1HZ LYS 55 8.736 -18.006 7.408 400 2HZ LYS 55 2HZ LYS 55 8.896 -17.166 8.822 401 3HZ LYS 55 3HZ LYS 55 7.532 -16.991 7.906 402 H GLU 56 H GLU 56 6.403 -13.741 11.505 403 HA GLU 56 HA GLU 56 4.436 -14.709 9.556 404 1HB GLU 56 1HB GLU 56 5.189 -15.583 12.017 405 2HB GLU 56 2HB GLU 56 3.720 -14.750 12.487 406 1HG GLU 56 1HG GLU 56 4.034 -17.200 10.686 407 2HG GLU 56 2HG GLU 56 2.623 -16.178 10.464 408 H GLU 57 H GLU 57 4.530 -12.016 11.821 409 HA GLU 57 HA GLU 57 1.717 -11.217 11.822 410 1HB GLU 57 1HB GLU 57 2.449 -8.996 12.597 411 2HB GLU 57 2HB GLU 57 4.110 -9.334 12.153 412 1HG GLU 57 1HG GLU 57 3.879 -11.390 13.871 413 2HG GLU 57 2HG GLU 57 4.223 -9.765 14.438 414 H LEU 58 H LEU 58 4.412 -10.595 9.632 415 HA LEU 58 HA LEU 58 3.206 -8.509 7.932 416 1HB LEU 58 1HB LEU 58 5.657 -9.012 7.951 417 2HB LEU 58 2HB LEU 58 5.364 -10.592 7.257 418 HG LEU 58 HG LEU 58 4.358 -8.179 5.696 419 1HD1 LEU 58 1HD1 LEU 58 5.734 -10.759 4.717 420 2HD1 LEU 58 2HD1 LEU 58 3.983 -10.604 4.921 421 3HD1 LEU 58 3HD1 LEU 58 4.829 -9.578 3.737 422 1HD2 LEU 58 1HD2 LEU 58 6.563 -7.739 4.672 423 2HD2 LEU 58 2HD2 LEU 58 6.722 -7.554 6.437 424 3HD2 LEU 58 3HD2 LEU 58 7.328 -9.021 5.646 425 H ASP 59 H ASP 59 3.203 -12.047 7.936 426 HA ASP 59 HA ASP 59 1.767 -12.487 5.404 427 1HB ASP 59 1HB ASP 59 2.027 -14.341 7.840 428 2HB ASP 59 2HB ASP 59 1.242 -14.796 6.346 429 H ALA 60 H ALA 60 0.803 -11.859 8.730 430 HA ALA 60 HA ALA 60 -2.013 -12.623 8.592 431 1HB ALA 60 1HB ALA 60 -2.280 -11.305 10.688 432 2HB ALA 60 2HB ALA 60 -0.834 -12.331 10.749 433 3HB ALA 60 3HB ALA 60 -0.670 -10.578 10.474 434 H ILE 61 H ILE 61 -0.371 -9.474 8.175 435 HA ILE 61 HA ILE 61 -2.534 -7.708 7.759 436 HB ILE 61 HB ILE 61 0.315 -7.679 6.884 437 1HG1 ILE 61 1HG1 ILE 61 -1.585 -5.721 8.304 438 2HG1 ILE 61 2HG1 ILE 61 -0.054 -5.158 7.668 439 1HG2 ILE 61 1HG2 ILE 61 0.073 -5.719 5.338 440 2HG2 ILE 61 2HG2 ILE 61 -0.743 -7.135 4.679 441 3HG2 ILE 61 3HG2 ILE 61 -1.701 -5.840 5.432 442 1HD1 ILE 61 1HD1 ILE 61 1.251 -6.690 9.115 443 2HD1 ILE 61 2HD1 ILE 61 0.122 -5.718 10.083 444 3HD1 ILE 61 3HD1 ILE 61 -0.254 -7.421 9.736 445 H ILE 62 H ILE 62 -1.048 -10.072 5.596 446 HA ILE 62 HA ILE 62 -2.499 -9.277 3.110 447 HB ILE 62 HB ILE 62 -0.679 -11.605 3.823 448 1HG1 ILE 62 1HG1 ILE 62 -0.284 -9.919 1.331 449 2HG1 ILE 62 2HG1 ILE 62 0.906 -10.637 2.396 450 1HG2 ILE 62 1HG2 ILE 62 -0.981 -12.585 1.534 451 2HG2 ILE 62 2HG2 ILE 62 -2.498 -12.640 2.430 452 3HG2 ILE 62 3HG2 ILE 62 -2.263 -11.402 1.175 453 1HD1 ILE 62 1HD1 ILE 62 0.621 -8.867 4.107 454 2HD1 ILE 62 2HD1 ILE 62 0.959 -8.153 2.517 455 3HD1 ILE 62 3HD1 ILE 62 -0.700 -8.129 3.159 456 H GLU 63 H GLU 63 -2.858 -11.666 5.694 457 HA GLU 63 HA GLU 63 -5.194 -13.130 4.790 458 1HB GLU 63 1HB GLU 63 -3.743 -13.559 6.888 459 2HB GLU 63 2HB GLU 63 -4.723 -12.361 7.711 460 1HG GLU 63 1HG GLU 63 -6.809 -13.787 7.144 461 2HG GLU 63 2HG GLU 63 -5.683 -14.471 8.304 462 H GLU 64 H GLU 64 -4.810 -9.896 6.101 463 HA GLU 64 HA GLU 64 -7.840 -9.437 6.087 464 1HB GLU 64 1HB GLU 64 -5.819 -7.768 7.658 465 2HB GLU 64 2HB GLU 64 -6.518 -9.238 8.307 466 1HG GLU 64 1HG GLU 64 -8.758 -7.656 7.382 467 2HG GLU 64 2HG GLU 64 -8.327 -8.069 9.033 468 H VAL 65 H VAL 65 -6.146 -9.372 3.769 469 HA VAL 65 HA VAL 65 -6.772 -6.530 2.845 470 HB VAL 65 HB VAL 65 -4.087 -7.742 2.887 471 1HG1 VAL 65 1HG1 VAL 65 -3.329 -6.996 0.623 472 2HG1 VAL 65 2HG1 VAL 65 -4.543 -8.282 0.489 473 3HG1 VAL 65 3HG1 VAL 65 -5.002 -6.593 0.164 474 1HG2 VAL 65 1HG2 VAL 65 -5.026 -4.859 2.255 475 2HG2 VAL 65 2HG2 VAL 65 -4.533 -5.480 3.849 476 3HG2 VAL 65 3HG2 VAL 65 -3.344 -5.367 2.544 477 H ASP 66 H ASP 66 -5.492 -9.604 1.494 478 HA ASP 66 HA ASP 66 -7.538 -9.526 -0.737 479 1HB ASP 66 1HB ASP 66 -5.078 -11.319 -0.344 480 2HB ASP 66 2HB ASP 66 -5.220 -9.946 -1.416 481 H GLU 67 H GLU 67 -8.664 -9.864 1.699 482 HA GLU 67 HA GLU 67 -9.285 -12.454 2.743 483 1HB GLU 67 1HB GLU 67 -10.333 -10.688 3.865 484 2HB GLU 67 2HB GLU 67 -10.995 -9.975 2.407 485 1HG GLU 67 1HG GLU 67 -12.918 -10.870 3.437 486 2HG GLU 67 2HG GLU 67 -12.535 -12.117 2.262 487 H ASP 68 H ASP 68 -10.745 -10.831 -0.084 488 HA ASP 68 HA ASP 68 -11.939 -13.461 -1.049 489 1HB ASP 68 1HB ASP 68 -12.595 -10.554 -1.706 490 2HB ASP 68 2HB ASP 68 -13.044 -11.825 -2.819 491 H GLY 69 H GLY 69 -10.911 -10.708 -3.028 492 1HA GLY 69 1HA GLY 69 -8.573 -12.187 -4.252 493 2HA GLY 69 2HA GLY 69 -9.952 -11.991 -5.339 494 H SER 70 H SER 70 -7.266 -10.854 -5.464 495 HA SER 70 HA SER 70 -7.924 -7.988 -6.106 496 1HB SER 70 1HB SER 70 -6.279 -8.696 -3.645 497 2HB SER 70 2HB SER 70 -5.916 -7.224 -4.549 498 HG SER 70 HG SER 70 -7.536 -7.166 -2.803 499 H GLY 71 H GLY 71 -4.900 -9.638 -5.145 500 1HA GLY 71 1HA GLY 71 -3.215 -10.665 -6.717 501 2HA GLY 71 2HA GLY 71 -3.943 -9.746 -8.038 502 H THR 72 H THR 72 -3.696 -7.420 -8.038 503 HA THR 72 HA THR 72 -0.967 -6.577 -6.997 504 HB THR 72 HB THR 72 -1.375 -6.585 -9.500 505 HG1 THR 72 HG1 THR 72 0.290 -5.475 -9.263 506 1HG2 THR 72 1HG2 THR 72 -3.363 -5.489 -10.118 507 2HG2 THR 72 2HG2 THR 72 -3.210 -4.227 -8.875 508 3HG2 THR 72 3HG2 THR 72 -2.181 -4.179 -10.331 509 H ILE 73 H ILE 73 -0.731 -4.330 -6.312 510 HA ILE 73 HA ILE 73 -3.246 -3.014 -5.256 511 HB ILE 73 HB ILE 73 -1.858 -4.528 -3.535 512 1HG1 ILE 73 1HG1 ILE 73 -3.864 -3.789 -2.688 513 2HG1 ILE 73 2HG1 ILE 73 -3.630 -2.136 -3.228 514 1HG2 ILE 73 1HG2 ILE 73 -0.362 -3.274 -2.027 515 2HG2 ILE 73 2HG2 ILE 73 0.302 -3.220 -3.665 516 3HG2 ILE 73 3HG2 ILE 73 -0.529 -1.794 -2.999 517 1HD1 ILE 73 1HD1 ILE 73 -2.244 -3.313 -0.735 518 2HD1 ILE 73 2HD1 ILE 73 -2.104 -1.642 -1.322 519 3HD1 ILE 73 3HD1 ILE 73 -3.674 -2.244 -0.740 520 H ASP 74 H ASP 74 -2.753 -0.755 -4.454 521 HA ASP 74 HA ASP 74 -0.787 0.614 -6.371 522 1HB ASP 74 1HB ASP 74 -2.946 2.397 -5.913 523 2HB ASP 74 2HB ASP 74 -3.623 0.817 -6.406 524 H PHE 75 H PHE 75 -0.818 3.105 -5.616 525 HA PHE 75 HA PHE 75 0.617 3.035 -2.985 526 1HB PHE 75 1HB PHE 75 0.250 5.302 -5.030 527 2HB PHE 75 2HB PHE 75 1.612 4.218 -4.935 528 HD1 PHE 75 HD1 PHE 75 1.604 4.333 -1.677 529 HD2 PHE 75 HD2 PHE 75 1.659 7.309 -4.785 530 HE1 PHE 75 HE1 PHE 75 2.736 5.908 -0.163 531 HE2 PHE 75 HE2 PHE 75 2.798 8.868 -3.255 532 HZ PHE 75 HZ PHE 75 3.343 8.171 -0.950 533 H GLU 76 H GLU 76 -2.366 4.297 -4.366 534 HA GLU 76 HA GLU 76 -3.213 6.070 -2.198 535 1HB GLU 76 1HB GLU 76 -5.595 5.597 -3.157 536 2HB GLU 76 2HB GLU 76 -4.791 4.640 -4.384 537 1HG GLU 76 1HG GLU 76 -5.348 7.069 -5.028 538 2HG GLU 76 2HG GLU 76 -4.148 7.613 -3.868 539 H GLU 77 H GLU 77 -4.380 2.794 -3.028 540 HA GLU 77 HA GLU 77 -5.760 2.159 -0.534 541 1HB GLU 77 1HB GLU 77 -5.167 -0.326 -1.237 542 2HB GLU 77 2HB GLU 77 -4.581 0.402 -2.719 543 1HG GLU 77 1HG GLU 77 -7.459 0.487 -1.623 544 2HG GLU 77 2HG GLU 77 -6.942 1.525 -2.940 545 H PHE 78 H PHE 78 -2.382 2.104 -1.477 546 HA PHE 78 HA PHE 78 -1.304 0.355 0.595 547 1HB PHE 78 1HB PHE 78 -0.152 2.305 -1.381 548 2HB PHE 78 2HB PHE 78 0.229 0.625 -1.113 549 HD1 PHE 78 HD1 PHE 78 2.326 0.111 -0.100 550 HD2 PHE 78 HD2 PHE 78 0.616 3.992 0.624 551 HE1 PHE 78 HE1 PHE 78 4.297 0.743 1.234 552 HE2 PHE 78 HE2 PHE 78 2.613 4.621 1.916 553 HZ PHE 78 HZ PHE 78 4.443 2.994 2.245 554 H LEU 79 H LEU 79 -1.831 3.865 0.433 555 HA LEU 79 HA LEU 79 -0.781 4.490 3.156 556 1HB LEU 79 1HB LEU 79 -1.988 6.726 2.783 557 2HB LEU 79 2HB LEU 79 -2.536 6.124 1.233 558 HG LEU 79 HG LEU 79 0.101 5.718 0.793 559 1HD1 LEU 79 1HD1 LEU 79 0.213 7.966 -0.293 560 2HD1 LEU 79 2HD1 LEU 79 -1.367 7.213 -0.579 561 3HD1 LEU 79 3HD1 LEU 79 -1.211 8.513 0.629 562 1HD2 LEU 79 1HD2 LEU 79 0.145 7.988 2.894 563 2HD2 LEU 79 2HD2 LEU 79 0.907 6.387 3.061 564 3HD2 LEU 79 3HD2 LEU 79 1.506 7.523 1.842 565 H VAL 80 H VAL 80 -3.847 3.564 1.719 566 HA VAL 80 HA VAL 80 -5.664 4.292 3.882 567 HB VAL 80 HB VAL 80 -5.869 2.599 1.444 568 1HG1 VAL 80 1HG1 VAL 80 -7.995 1.459 2.113 569 2HG1 VAL 80 2HG1 VAL 80 -6.636 0.868 3.078 570 3HG1 VAL 80 3HG1 VAL 80 -7.789 2.018 3.793 571 1HG2 VAL 80 1HG2 VAL 80 -7.918 4.469 2.804 572 2HG2 VAL 80 2HG2 VAL 80 -6.790 4.949 1.515 573 3HG2 VAL 80 3HG2 VAL 80 -8.056 3.758 1.178 574 H MET 81 H MET 81 -3.587 1.507 3.279 575 HA MET 81 HA MET 81 -4.700 -0.285 5.369 576 1HB MET 81 1HB MET 81 -3.183 -1.879 4.682 577 2HB MET 81 2HB MET 81 -3.276 -0.901 3.229 578 1HG MET 81 1HG MET 81 -1.050 -0.340 3.309 579 2HG MET 81 2HG MET 81 -1.097 0.045 5.037 580 1HE MET 81 1HE MET 81 -0.121 -1.914 7.025 581 2HE MET 81 2HE MET 81 -1.881 -1.942 6.707 582 3HE MET 81 3HE MET 81 -0.961 -3.474 6.760 583 H MET 82 H MET 82 -2.127 2.115 5.159 584 HA MET 82 HA MET 82 -0.722 1.482 7.664 585 1HB MET 82 1HB MET 82 0.353 3.730 7.446 586 2HB MET 82 2HB MET 82 -0.778 4.171 6.179 587 1HG MET 82 1HG MET 82 0.169 2.112 4.826 588 2HG MET 82 2HG MET 82 1.468 2.082 6.029 589 1HE MET 82 1HE MET 82 1.801 6.363 5.510 590 2HE MET 82 2HE MET 82 0.124 5.770 5.690 591 3HE MET 82 3HE MET 82 1.386 5.230 6.835 592 H VAL 83 H VAL 83 -3.043 4.067 6.810 593 HA VAL 83 HA VAL 83 -3.438 5.284 9.378 594 HB VAL 83 HB VAL 83 -5.611 4.948 7.246 595 1HG1 VAL 83 1HG1 VAL 83 -3.681 7.333 7.547 596 2HG1 VAL 83 2HG1 VAL 83 -3.426 6.022 6.387 597 3HG1 VAL 83 3HG1 VAL 83 -4.873 7.047 6.253 598 1HG2 VAL 83 1HG2 VAL 83 -6.714 6.917 8.176 599 2HG2 VAL 83 2HG2 VAL 83 -6.447 5.804 9.538 600 3HG2 VAL 83 3HG2 VAL 83 -5.391 7.208 9.335 601 NH1 ARG 84 NH1 ARG 84 -10.074 -2.076 6.945 602 NH2 ARG 84 NH2 ARG 84 -9.284 -2.201 4.819 603 H ARG 84 H ARG 84 -4.760 2.316 8.004 604 HA ARG 84 HA ARG 84 -6.817 1.593 9.909 605 1HB ARG 84 1HB ARG 84 -5.058 -0.650 8.906 606 2HB ARG 84 2HB ARG 84 -5.774 0.383 7.677 607 1HG ARG 84 1HG ARG 84 -7.411 -1.021 9.875 608 2HG ARG 84 2HG ARG 84 -8.074 -0.041 8.565 609 1HD ARG 84 1HD ARG 84 -6.277 -2.392 7.806 610 2HD ARG 84 2HD ARG 84 -7.907 -2.749 8.373 611 HE ARG 84 HE ARG 84 -7.270 -1.100 5.885 612 1HH1 ARG 84 1HH1 ARG 84 -10.261 -2.363 4.550 613 2HH1 ARG 84 2HH1 ARG 84 -8.468 -2.190 4.198 614 1HH2 ARG 84 1HH2 ARG 84 -9.857 -2.007 7.946 615 2HH2 ARG 84 2HH2 ARG 84 -11.001 -2.204 6.524 616 H GLN 85 H GLN 85 -3.464 0.323 9.880 617 HA GLN 85 HA GLN 85 -3.609 -0.941 12.525 618 1HB GLN 85 1HB GLN 85 -0.848 -0.446 12.017 619 2HB GLN 85 2HB GLN 85 -1.569 -0.575 10.422 620 1HG GLN 85 1HG GLN 85 -1.003 -2.799 10.822 621 2HG GLN 85 2HG GLN 85 -2.690 -2.804 11.293 622 1HE2 GLN 85 1HE2 GLN 85 0.230 -3.490 14.140 623 2HE2 GLN 85 2HE2 GLN 85 0.636 -2.950 12.434 624 H MET 86 H MET 86 -2.988 2.325 11.510 625 HA MET 86 HA MET 86 -1.244 3.294 13.649 626 1HB MET 86 1HB MET 86 -3.082 5.390 12.675 627 2HB MET 86 2HB MET 86 -2.466 4.432 11.341 628 1HG MET 86 1HG MET 86 -0.364 5.302 13.335 629 2HG MET 86 2HG MET 86 -0.288 5.211 11.568 630 1HE MET 86 1HE MET 86 -0.247 8.235 14.283 631 2HE MET 86 2HE MET 86 0.906 7.233 13.353 632 3HE MET 86 3HE MET 86 0.494 8.877 12.783 633 H LYS 87 H LYS 87 -4.766 3.769 13.200 634 HA LYS 87 HA LYS 87 -5.297 4.781 15.930 635 1HB LYS 87 1HB LYS 87 -6.997 3.989 13.568 636 2HB LYS 87 2HB LYS 87 -7.778 3.848 15.129 637 1HG LYS 87 1HG LYS 87 -8.118 6.052 13.881 638 2HG LYS 87 2HG LYS 87 -6.419 6.417 14.106 639 1HD LYS 87 1HD LYS 87 -8.684 6.716 16.016 640 2HD LYS 87 2HD LYS 87 -7.356 5.815 16.730 641 1HE LYS 87 1HE LYS 87 -5.963 7.637 16.873 642 2HE LYS 87 2HE LYS 87 -6.403 8.262 15.283 643 1HZ LYS 87 1HZ LYS 87 -7.129 9.448 17.515 644 2HZ LYS 87 2HZ LYS 87 -8.094 9.500 16.175 645 3HZ LYS 87 3HZ LYS 87 -8.435 8.444 17.398 646 H GLU 88 H GLU 88 -5.307 1.618 14.363 647 HA GLU 88 HA GLU 88 -6.521 0.046 16.526 648 1HB GLU 88 1HB GLU 88 -6.331 -0.742 14.158 649 2HB GLU 88 2HB GLU 88 -4.596 -0.916 14.343 650 1HG GLU 88 1HG GLU 88 -5.245 -3.122 14.711 651 2HG GLU 88 2HG GLU 88 -5.242 -2.557 16.373 652 H ASP 89 H ASP 89 -5.713 -0.657 18.366 653 HA ASP 89 HA ASP 89 -2.692 -0.594 18.876 654 1HB ASP 89 1HB ASP 89 -4.146 1.296 20.043 655 2HB ASP 89 2HB ASP 89 -4.650 0.022 21.130 656 H ALA 90 H ALA 90 -3.508 -2.807 17.919 657 HA ALA 90 HA ALA 90 -3.987 -4.743 20.258 658 1HB ALA 90 1HB ALA 90 -5.423 -6.088 18.956 659 2HB ALA 90 2HB ALA 90 -5.846 -4.485 18.326 660 3HB ALA 90 3HB ALA 90 -4.751 -5.540 17.400 Start of MODEL 15 Raw file had 660 H/Q atoms Start of MODEL 15 1 1H ALA 1 1H ALA 1 -23.737 5.089 6.218 2 2H ALA 1 2H ALA 1 -22.833 6.491 6.433 3 3H ALA 1 3H ALA 1 -23.960 6.400 5.188 4 HA ALA 1 HA ALA 1 -21.940 4.334 5.209 5 1HB ALA 1 1HB ALA 1 -23.705 5.774 3.266 6 2HB ALA 1 2HB ALA 1 -22.082 5.438 2.635 7 3HB ALA 1 3HB ALA 1 -23.102 4.100 3.220 8 H SER 2 H SER 2 -20.257 5.251 6.386 9 HA SER 2 HA SER 2 -18.868 7.724 5.220 10 1HB SER 2 1HB SER 2 -18.098 8.320 7.351 11 2HB SER 2 2HB SER 2 -19.730 7.730 7.675 12 HG SER 2 HG SER 2 -18.736 6.524 9.031 13 H MET 3 H MET 3 -18.553 4.351 6.144 14 HA MET 3 HA MET 3 -15.637 4.032 5.677 15 1HB MET 3 1HB MET 3 -17.843 2.303 6.490 16 2HB MET 3 2HB MET 3 -16.985 1.525 5.173 17 1HG MET 3 1HG MET 3 -15.018 2.603 7.098 18 2HG MET 3 2HG MET 3 -15.227 0.949 6.502 19 1HE MET 3 1HE MET 3 -14.713 0.864 10.106 20 2HE MET 3 2HE MET 3 -14.380 2.329 9.137 21 3HE MET 3 3HE MET 3 -15.556 2.400 10.481 22 H THR 4 H THR 4 -18.568 3.951 3.736 23 HA THR 4 HA THR 4 -17.603 2.918 1.211 24 HB THR 4 HB THR 4 -19.510 5.268 1.187 25 HG1 THR 4 HG1 THR 4 -21.043 3.375 1.599 26 1HG2 THR 4 1HG2 THR 4 -20.754 3.939 -0.476 27 2HG2 THR 4 2HG2 THR 4 -19.067 4.102 -1.010 28 3HG2 THR 4 3HG2 THR 4 -19.639 2.566 -0.311 29 H ASP 5 H ASP 5 -16.807 5.814 2.935 30 HA ASP 5 HA ASP 5 -14.922 6.660 0.689 31 1HB ASP 5 1HB ASP 5 -17.119 8.377 1.878 32 2HB ASP 5 2HB ASP 5 -15.589 9.149 1.531 33 H GLN 6 H GLN 6 -14.247 5.180 2.889 34 HA GLN 6 HA GLN 6 -12.890 6.960 4.936 35 1HB GLN 6 1HB GLN 6 -12.787 5.140 6.251 36 2HB GLN 6 2HB GLN 6 -13.876 4.388 5.095 37 1HG GLN 6 1HG GLN 6 -10.901 4.093 4.527 38 2HG GLN 6 2HG GLN 6 -11.537 3.253 5.926 39 1HE2 GLN 6 1HE2 GLN 6 -12.016 1.509 2.359 40 2HE2 GLN 6 2HE2 GLN 6 -10.681 2.628 2.937 41 H GLN 7 H GLN 7 -12.199 5.053 2.052 42 HA GLN 7 HA GLN 7 -9.346 4.853 2.017 43 1HB GLN 7 1HB GLN 7 -11.009 5.522 -0.480 44 2HB GLN 7 2HB GLN 7 -9.424 4.771 -0.426 45 1HG GLN 7 1HG GLN 7 -10.290 2.703 0.512 46 2HG GLN 7 2HG GLN 7 -11.839 3.420 0.907 47 1HE2 GLN 7 1HE2 GLN 7 -12.699 3.491 -2.794 48 2HE2 GLN 7 2HE2 GLN 7 -12.712 4.629 -1.355 49 H ALA 8 H ALA 8 -11.429 7.613 1.224 50 HA ALA 8 HA ALA 8 -9.339 9.374 0.105 51 1HB ALA 8 1HB ALA 8 -11.032 10.955 -0.195 52 2HB ALA 8 2HB ALA 8 -11.979 9.455 -0.161 53 3HB ALA 8 3HB ALA 8 -11.920 10.502 1.280 54 H GLU 9 H GLU 9 -10.787 8.915 3.303 55 HA GLU 9 HA GLU 9 -9.757 11.155 4.779 56 1HB GLU 9 1HB GLU 9 -10.824 8.492 5.495 57 2HB GLU 9 2HB GLU 9 -9.605 9.032 6.631 58 1HG GLU 9 1HG GLU 9 -10.953 11.269 6.823 59 2HG GLU 9 2HG GLU 9 -11.634 9.832 7.567 60 H ALA 10 H ALA 10 -8.177 8.204 3.695 61 HA ALA 10 HA ALA 10 -5.785 8.112 5.270 62 1HB ALA 10 1HB ALA 10 -4.746 6.868 3.379 63 2HB ALA 10 2HB ALA 10 -6.404 6.315 3.684 64 3HB ALA 10 3HB ALA 10 -6.060 7.368 2.288 65 NH1 ARG 11 NH1 ARG 11 -5.538 12.353 -4.009 66 NH2 ARG 11 NH2 ARG 11 -4.125 14.045 -3.457 67 H ARG 11 H ARG 11 -6.242 9.721 2.104 68 HA ARG 11 HA ARG 11 -3.599 11.053 2.015 69 1HB ARG 11 1HB ARG 11 -4.174 11.742 -0.092 70 2HB ARG 11 2HB ARG 11 -5.383 10.479 0.089 71 1HG ARG 11 1HG ARG 11 -7.079 12.219 0.860 72 2HG ARG 11 2HG ARG 11 -5.886 13.482 0.547 73 1HD ARG 11 1HD ARG 11 -7.712 12.730 -1.330 74 2HD ARG 11 2HD ARG 11 -6.487 11.526 -1.720 75 HE ARG 11 HE ARG 11 -5.851 14.522 -1.718 76 1HH1 ARG 11 1HH1 ARG 11 -4.929 12.214 -4.823 77 2HH1 ARG 11 2HH1 ARG 11 -6.401 11.843 -3.792 78 1HH2 ARG 11 1HH2 ARG 11 -3.850 14.756 -2.770 79 2HH2 ARG 11 2HH2 ARG 11 -3.676 13.856 -4.360 80 H ALA 12 H ALA 12 -6.825 11.936 3.123 81 HA ALA 12 HA ALA 12 -6.452 14.799 3.618 82 1HB ALA 12 1HB ALA 12 -8.407 14.626 5.140 83 2HB ALA 12 2HB ALA 12 -8.699 13.754 3.623 84 3HB ALA 12 3HB ALA 12 -8.319 12.848 5.109 85 H PHE 13 H PHE 13 -5.424 11.930 5.345 86 HA PHE 13 HA PHE 13 -4.680 13.509 7.844 87 1HB PHE 13 1HB PHE 13 -6.108 11.354 7.964 88 2HB PHE 13 2HB PHE 13 -4.684 10.451 7.519 89 HD1 PHE 13 HD1 PHE 13 -3.450 13.182 9.430 90 HD2 PHE 13 HD2 PHE 13 -5.565 9.464 9.914 91 HE1 PHE 13 HE1 PHE 13 -2.838 13.130 11.814 92 HE2 PHE 13 HE2 PHE 13 -4.952 9.437 12.296 93 HZ PHE 13 HZ PHE 13 -3.590 11.265 13.251 94 H LEU 14 H LEU 14 -3.254 13.750 5.349 95 HA LEU 14 HA LEU 14 -0.447 13.301 6.336 96 1HB LEU 14 1HB LEU 14 -1.402 11.936 3.750 97 2HB LEU 14 2HB LEU 14 0.281 12.165 4.172 98 HG LEU 14 HG LEU 14 -1.729 10.501 5.816 99 1HD1 LEU 14 1HD1 LEU 14 1.329 10.688 6.182 100 2HD1 LEU 14 2HD1 LEU 14 0.150 11.533 7.201 101 3HD1 LEU 14 3HD1 LEU 14 0.186 9.752 7.179 102 1HD2 LEU 14 1HD2 LEU 14 -0.615 8.492 4.938 103 2HD2 LEU 14 2HD2 LEU 14 -1.085 9.490 3.540 104 3HD2 LEU 14 3HD2 LEU 14 0.602 9.468 4.076 105 H SER 15 H SER 15 0.710 14.993 5.791 106 HA SER 15 HA SER 15 -0.366 17.300 4.332 107 1HB SER 15 1HB SER 15 2.059 18.187 4.578 108 2HB SER 15 2HB SER 15 1.140 17.856 6.049 109 HG SER 15 HG SER 15 2.676 15.796 4.930 110 H GLU 16 H GLU 16 0.882 18.354 2.532 111 HA GLU 16 HA GLU 16 0.922 16.605 0.150 112 1HB GLU 16 1HB GLU 16 1.289 19.559 0.633 113 2HB GLU 16 2HB GLU 16 1.961 18.911 -0.850 114 1HG GLU 16 1HG GLU 16 -0.950 18.268 -0.138 115 2HG GLU 16 2HG GLU 16 -0.187 18.284 -1.719 116 H GLU 17 H GLU 17 3.332 18.066 2.243 117 HA GLU 17 HA GLU 17 5.687 17.513 0.482 118 1HB GLU 17 1HB GLU 17 6.976 18.053 2.746 119 2HB GLU 17 2HB GLU 17 6.289 19.304 1.729 120 1HG GLU 17 1HG GLU 17 5.918 19.263 4.407 121 2HG GLU 17 2HG GLU 17 4.580 18.197 4.010 122 H MET 18 H MET 18 4.052 15.993 3.205 123 HA MET 18 HA MET 18 6.081 13.993 3.917 124 1HB MET 18 1HB MET 18 3.046 13.790 4.372 125 2HB MET 18 2HB MET 18 4.147 14.687 5.401 126 1HG MET 18 1HG MET 18 4.872 11.776 4.944 127 2HG MET 18 2HG MET 18 3.413 12.097 5.894 128 1HE MET 18 1HE MET 18 7.042 11.203 6.676 129 2HE MET 18 2HE MET 18 7.153 12.469 5.418 130 3HE MET 18 3HE MET 18 7.799 12.782 7.055 131 H ILE 19 H ILE 19 3.397 14.082 1.627 132 HA ILE 19 HA ILE 19 3.243 11.283 0.817 133 HB ILE 19 HB ILE 19 2.599 13.831 -0.737 134 1HG1 ILE 19 1HG1 ILE 19 0.828 11.707 0.640 135 2HG1 ILE 19 2HG1 ILE 19 1.000 13.389 1.092 136 1HG2 ILE 19 1HG2 ILE 19 1.536 12.422 -2.515 137 2HG2 ILE 19 2HG2 ILE 19 3.262 12.082 -2.417 138 3HG2 ILE 19 3HG2 ILE 19 2.100 10.938 -1.709 139 1HD1 ILE 19 1HD1 ILE 19 -0.379 12.428 -1.482 140 2HD1 ILE 19 2HD1 ILE 19 -1.137 13.129 -0.037 141 3HD1 ILE 19 3HD1 ILE 19 -0.088 14.138 -1.061 142 H ALA 20 H ALA 20 5.260 13.999 -0.288 143 HA ALA 20 HA ALA 20 6.607 12.981 -2.543 144 1HB ALA 20 1HB ALA 20 8.305 14.450 -0.499 145 2HB ALA 20 2HB ALA 20 8.188 14.680 -2.254 146 3HB ALA 20 3HB ALA 20 6.891 15.281 -1.190 147 H GLU 21 H GLU 21 7.281 12.273 0.869 148 HA GLU 21 HA GLU 21 9.772 10.733 0.416 149 1HB GLU 21 1HB GLU 21 8.892 11.976 2.596 150 2HB GLU 21 2HB GLU 21 8.127 10.441 2.955 151 1HG GLU 21 1HG GLU 21 10.372 9.284 2.887 152 2HG GLU 21 2HG GLU 21 11.153 10.795 2.452 153 H PHE 22 H PHE 22 6.369 9.922 1.038 154 HA PHE 22 HA PHE 22 6.500 7.082 1.361 155 1HB PHE 22 1HB PHE 22 4.111 7.048 0.346 156 2HB PHE 22 2HB PHE 22 4.271 8.763 0.074 157 HD1 PHE 22 HD1 PHE 22 5.122 10.133 2.343 158 HD2 PHE 22 HD2 PHE 22 3.105 6.331 2.360 159 HE1 PHE 22 HE1 PHE 22 4.396 10.517 4.661 160 HE2 PHE 22 HE2 PHE 22 2.344 6.758 4.661 161 HZ PHE 22 HZ PHE 22 2.983 8.849 5.814 162 H LYS 23 H LYS 23 5.712 8.800 -1.680 163 HA LYS 23 HA LYS 23 5.794 6.632 -3.542 164 1HB LYS 23 1HB LYS 23 5.176 8.331 -4.876 165 2HB LYS 23 2HB LYS 23 6.873 8.710 -5.080 166 1HG LYS 23 1HG LYS 23 4.997 9.972 -2.991 167 2HG LYS 23 2HG LYS 23 6.705 10.343 -3.125 168 1HD LYS 23 1HD LYS 23 6.408 11.412 -5.319 169 2HD LYS 23 2HD LYS 23 5.237 12.066 -4.186 170 1HE LYS 23 1HE LYS 23 4.679 10.083 -6.460 171 2HE LYS 23 2HE LYS 23 3.508 10.338 -5.164 172 1HZ LYS 23 1HZ LYS 23 3.501 11.781 -7.354 173 2HZ LYS 23 2HZ LYS 23 3.056 12.446 -5.909 174 3HZ LYS 23 3HZ LYS 23 4.566 12.726 -6.517 175 H ALA 24 H ALA 24 8.422 8.518 -2.131 176 HA ALA 24 HA ALA 24 10.650 7.866 -3.822 177 1HB ALA 24 1HB ALA 24 12.106 8.383 -1.872 178 2HB ALA 24 2HB ALA 24 10.793 9.566 -2.024 179 3HB ALA 24 3HB ALA 24 10.711 8.304 -0.769 180 H ALA 25 H ALA 25 9.397 6.120 -0.970 181 HA ALA 25 HA ALA 25 11.423 3.949 -1.047 182 1HB ALA 25 1HB ALA 25 10.099 2.943 0.804 183 2HB ALA 25 2HB ALA 25 10.404 4.666 1.096 184 3HB ALA 25 3HB ALA 25 8.793 4.127 0.557 185 H PHE 26 H PHE 26 8.168 4.436 -2.274 186 HA PHE 26 HA PHE 26 7.354 1.728 -2.886 187 1HB PHE 26 1HB PHE 26 5.965 3.929 -3.013 188 2HB PHE 26 2HB PHE 26 6.615 4.157 -4.615 189 HD1 PHE 26 HD1 PHE 26 6.548 1.432 -5.834 190 HD2 PHE 26 HD2 PHE 26 3.708 3.275 -3.179 191 HE1 PHE 26 HE1 PHE 26 4.746 0.046 -6.781 192 HE2 PHE 26 HE2 PHE 26 1.922 1.871 -4.130 193 HZ PHE 26 HZ PHE 26 2.443 0.234 -5.905 194 H ASP 27 H ASP 27 9.441 4.008 -4.574 195 HA ASP 27 HA ASP 27 9.586 2.637 -7.176 196 1HB ASP 27 1HB ASP 27 10.274 5.140 -6.476 197 2HB ASP 27 2HB ASP 27 11.856 4.428 -6.249 198 H MET 28 H MET 28 11.211 2.225 -4.121 199 HA MET 28 HA MET 28 13.620 0.803 -4.876 200 1HB MET 28 1HB MET 28 13.310 -0.461 -2.597 201 2HB MET 28 2HB MET 28 11.893 0.547 -2.365 202 1HG MET 28 1HG MET 28 13.631 2.570 -2.890 203 2HG MET 28 2HG MET 28 13.459 1.872 -1.272 204 1HE MET 28 1HE MET 28 16.696 3.153 -1.705 205 2HE MET 28 2HE MET 28 17.167 2.573 -3.329 206 3HE MET 28 3HE MET 28 15.616 3.434 -3.107 207 H PHE 29 H PHE 29 10.266 -0.272 -4.571 208 HA PHE 29 HA PHE 29 11.021 -3.105 -5.507 209 1HB PHE 29 1HB PHE 29 8.599 -2.215 -3.814 210 2HB PHE 29 2HB PHE 29 8.747 -3.791 -4.542 211 HD1 PHE 29 HD1 PHE 29 12.069 -2.917 -3.650 212 HD2 PHE 29 HD2 PHE 29 8.360 -4.194 -1.874 213 HE1 PHE 29 HE1 PHE 29 13.282 -3.728 -1.668 214 HE2 PHE 29 HE2 PHE 29 9.597 -5.013 0.090 215 HZ PHE 29 HZ PHE 29 12.051 -4.775 0.201 216 H ASP 30 H ASP 30 10.741 -0.804 -7.181 217 HA ASP 30 HA ASP 30 8.576 -1.714 -9.072 218 1HB ASP 30 1HB ASP 30 8.431 1.249 -8.469 219 2HB ASP 30 2HB ASP 30 7.714 0.162 -7.302 220 H ALA 31 H ALA 31 10.575 -2.253 -10.132 221 HA ALA 31 HA ALA 31 12.749 -0.463 -10.845 222 1HB ALA 31 1HB ALA 31 13.309 -2.140 -12.611 223 2HB ALA 31 2HB ALA 31 12.934 -2.918 -11.061 224 3HB ALA 31 3HB ALA 31 11.739 -2.947 -12.384 225 H ASP 32 H ASP 32 9.663 -1.189 -12.432 226 HA ASP 32 HA ASP 32 9.710 1.394 -13.987 227 1HB ASP 32 1HB ASP 32 9.341 -1.144 -15.651 228 2HB ASP 32 2HB ASP 32 10.931 -0.466 -15.389 229 H GLY 33 H GLY 33 7.665 1.989 -14.726 230 1HA GLY 33 1HA GLY 33 5.185 1.534 -15.073 231 2HA GLY 33 2HA GLY 33 5.283 0.307 -13.805 232 H GLY 34 H GLY 34 6.445 1.431 -11.716 233 1HA GLY 34 1HA GLY 34 5.874 2.720 -9.735 234 2HA GLY 34 2HA GLY 34 5.925 4.098 -10.841 235 H GLY 35 H GLY 35 3.750 1.295 -10.395 236 1HA GLY 35 1HA GLY 35 1.330 3.142 -10.046 237 2HA GLY 35 2HA GLY 35 1.298 1.978 -11.372 238 H ASP 36 H ASP 36 2.586 -0.187 -10.152 239 HA ASP 36 HA ASP 36 1.007 -1.001 -7.706 240 1HB ASP 36 1HB ASP 36 0.143 -1.743 -10.462 241 2HB ASP 36 2HB ASP 36 -0.769 -1.637 -8.975 242 H ILE 37 H ILE 37 1.664 -3.032 -6.875 243 HA ILE 37 HA ILE 37 4.088 -4.454 -8.028 244 HB ILE 37 HB ILE 37 5.562 -4.168 -6.186 245 1HG1 ILE 37 1HG1 ILE 37 4.164 -2.060 -4.606 246 2HG1 ILE 37 2HG1 ILE 37 3.289 -3.576 -4.563 247 1HG2 ILE 37 1HG2 ILE 37 6.156 -1.748 -6.358 248 2HG2 ILE 37 2HG2 ILE 37 5.624 -2.358 -7.931 249 3HG2 ILE 37 3HG2 ILE 37 4.526 -1.353 -6.955 250 1HD1 ILE 37 1HD1 ILE 37 6.216 -3.248 -3.684 251 2HD1 ILE 37 2HD1 ILE 37 4.794 -3.520 -2.655 252 3HD1 ILE 37 3HD1 ILE 37 5.344 -4.803 -3.757 253 H SER 38 H SER 38 4.696 -6.109 -6.048 254 HA SER 38 HA SER 38 2.279 -7.832 -5.654 255 1HB SER 38 1HB SER 38 4.661 -8.738 -4.183 256 2HB SER 38 2HB SER 38 5.072 -8.296 -5.842 257 HG SER 38 HG SER 38 3.951 -9.892 -6.554 258 H THR 39 H THR 39 1.276 -8.294 -3.766 259 HA THR 39 HA THR 39 1.300 -6.247 -1.591 260 HB THR 39 HB THR 39 -0.850 -7.083 -2.279 261 HG1 THR 39 HG1 THR 39 -1.649 -7.436 -0.311 262 1HG2 THR 39 1HG2 THR 39 -1.688 -9.360 -1.899 263 2HG2 THR 39 2HG2 THR 39 -0.271 -9.449 -2.970 264 3HG2 THR 39 3HG2 THR 39 -0.121 -9.896 -1.250 265 H LYS 40 H LYS 40 2.482 -9.520 -2.099 266 HA LYS 40 HA LYS 40 2.980 -10.376 0.629 267 1HB LYS 40 1HB LYS 40 3.816 -11.264 -2.071 268 2HB LYS 40 2HB LYS 40 3.359 -12.209 -0.670 269 1HG LYS 40 1HG LYS 40 6.139 -10.958 -1.104 270 2HG LYS 40 2HG LYS 40 5.689 -11.954 0.266 271 1HD LYS 40 1HD LYS 40 6.635 -13.654 -0.985 272 2HD LYS 40 2HD LYS 40 5.036 -13.717 -1.708 273 1HE LYS 40 1HE LYS 40 7.173 -13.622 -3.284 274 2HE LYS 40 2HE LYS 40 7.151 -11.886 -2.968 275 1HZ LYS 40 1HZ LYS 40 4.672 -13.246 -3.850 276 2HZ LYS 40 2HZ LYS 40 5.110 -11.664 -4.042 277 3HZ LYS 40 3HZ LYS 40 5.830 -12.838 -4.955 278 H GLU 41 H GLU 41 4.794 -8.326 -1.589 279 HA GLU 41 HA GLU 41 7.227 -8.152 0.173 280 1HB GLU 41 1HB GLU 41 6.563 -6.935 -2.550 281 2HB GLU 41 2HB GLU 41 7.995 -6.470 -1.654 282 1HG GLU 41 1HG GLU 41 8.677 -8.161 -3.247 283 2HG GLU 41 2HG GLU 41 7.330 -9.216 -2.854 284 H LEU 42 H LEU 42 4.616 -6.026 -0.985 285 HA LEU 42 HA LEU 42 5.163 -3.491 -0.040 286 1HB LEU 42 1HB LEU 42 3.077 -3.744 -1.109 287 2HB LEU 42 2HB LEU 42 2.558 -5.052 -0.067 288 HG LEU 42 HG LEU 42 2.935 -2.450 1.386 289 1HD1 LEU 42 1HD1 LEU 42 0.497 -4.336 1.267 290 2HD1 LEU 42 2HD1 LEU 42 1.864 -4.566 2.369 291 3HD1 LEU 42 3HD1 LEU 42 0.851 -3.107 2.508 292 1HD2 LEU 42 1HD2 LEU 42 0.934 -1.315 0.490 293 2HD2 LEU 42 2HD2 LEU 42 2.042 -1.635 -0.867 294 3HD2 LEU 42 3HD2 LEU 42 0.612 -2.658 -0.637 295 H GLY 43 H GLY 43 3.962 -6.189 1.950 296 1HA GLY 43 1HA GLY 43 3.736 -5.123 4.580 297 2HA GLY 43 2HA GLY 43 4.382 -6.738 4.268 298 H THR 44 H THR 44 6.713 -6.737 3.437 299 HA THR 44 HA THR 44 8.585 -6.094 5.356 300 HB THR 44 HB THR 44 8.935 -6.369 2.365 301 HG1 THR 44 HG1 THR 44 9.722 -8.244 2.947 302 1HG2 THR 44 1HG2 THR 44 11.423 -6.384 2.614 303 2HG2 THR 44 2HG2 THR 44 10.759 -4.765 2.915 304 3HG2 THR 44 3HG2 THR 44 11.274 -5.783 4.284 305 H VAL 45 H VAL 45 7.633 -3.954 2.679 306 HA VAL 45 HA VAL 45 9.548 -1.815 3.001 307 HB VAL 45 HB VAL 45 6.698 -1.204 2.124 308 1HG1 VAL 45 1HG1 VAL 45 8.784 -2.516 0.272 309 2HG1 VAL 45 2HG1 VAL 45 7.447 -3.405 1.012 310 3HG1 VAL 45 3HG1 VAL 45 7.101 -2.078 -0.120 311 1HG2 VAL 45 1HG2 VAL 45 7.712 0.410 0.600 312 2HG2 VAL 45 2HG2 VAL 45 8.469 0.678 2.187 313 3HG2 VAL 45 3HG2 VAL 45 9.357 -0.194 0.930 314 H MET 46 H MET 46 6.262 -2.171 4.378 315 HA MET 46 HA MET 46 6.009 0.204 5.928 316 1HB MET 46 1HB MET 46 5.042 -2.291 7.315 317 2HB MET 46 2HB MET 46 4.470 -2.065 5.672 318 1HG MET 46 1HG MET 46 4.078 0.500 6.880 319 2HG MET 46 2HG MET 46 2.841 -0.706 6.490 320 1HE MET 46 1HE MET 46 3.213 -3.104 8.014 321 2HE MET 46 2HE MET 46 2.902 -2.971 9.770 322 3HE MET 46 3HE MET 46 1.663 -2.426 8.602 323 NH1 ARG 47 NH1 ARG 47 11.734 -8.109 11.091 324 NH2 ARG 47 NH2 ARG 47 12.581 -6.795 12.739 325 H ARG 47 H ARG 47 7.697 -2.813 6.752 326 HA ARG 47 HA ARG 47 8.389 -2.149 9.542 327 1HB ARG 47 1HB ARG 47 8.369 -4.497 8.765 328 2HB ARG 47 2HB ARG 47 9.639 -4.166 7.596 329 1HG ARG 47 1HG ARG 47 11.346 -3.925 9.250 330 2HG ARG 47 2HG ARG 47 10.196 -3.650 10.559 331 1HD ARG 47 1HD ARG 47 9.362 -6.165 9.873 332 2HD ARG 47 2HD ARG 47 11.012 -6.288 9.265 333 HE ARG 47 HE ARG 47 10.580 -5.366 12.141 334 1HH1 ARG 47 1HH1 ARG 47 13.229 -7.570 12.915 335 2HH1 ARG 47 2HH1 ARG 47 12.521 -5.913 13.259 336 1HH2 ARG 47 1HH2 ARG 47 11.149 -8.175 10.251 337 2HH2 ARG 47 2HH2 ARG 47 12.318 -8.853 11.493 338 H MET 48 H MET 48 10.032 -1.760 6.423 339 HA MET 48 HA MET 48 12.512 -0.554 7.640 340 1HB MET 48 1HB MET 48 12.222 -0.317 4.681 341 2HB MET 48 2HB MET 48 12.018 -1.962 5.259 342 1HG MET 48 1HG MET 48 14.483 -0.657 4.759 343 2HG MET 48 2HG MET 48 14.382 -0.672 6.527 344 1HE MET 48 1HE MET 48 16.583 -2.482 6.667 345 2HE MET 48 2HE MET 48 15.251 -2.415 7.859 346 3HE MET 48 3HE MET 48 15.846 -3.997 7.275 347 H LEU 49 H LEU 49 9.581 0.667 7.526 348 HA LEU 49 HA LEU 49 10.401 3.478 6.619 349 1HB LEU 49 1HB LEU 49 7.819 3.891 6.948 350 2HB LEU 49 2HB LEU 49 7.663 2.148 6.961 351 HG LEU 49 HG LEU 49 8.563 1.963 4.660 352 1HD1 LEU 49 1HD1 LEU 49 6.716 3.094 3.414 353 2HD1 LEU 49 2HD1 LEU 49 6.104 2.361 4.908 354 3HD1 LEU 49 3HD1 LEU 49 6.356 4.122 4.824 355 1HD2 LEU 49 1HD2 LEU 49 8.885 5.040 4.702 356 2HD2 LEU 49 2HD2 LEU 49 10.205 3.846 4.635 357 3HD2 LEU 49 3HD2 LEU 49 9.085 3.994 3.274 358 H GLY 50 H GLY 50 9.165 1.463 9.240 359 1HA GLY 50 1HA GLY 50 10.528 2.445 11.465 360 2HA GLY 50 2HA GLY 50 9.308 3.708 11.274 361 H GLN 51 H GLN 51 9.658 0.184 11.550 362 HA GLN 51 HA GLN 51 7.363 0.074 13.555 363 1HB GLN 51 1HB GLN 51 7.332 -1.253 10.839 364 2HB GLN 51 2HB GLN 51 6.815 -2.237 12.196 365 1HG GLN 51 1HG GLN 51 5.526 0.295 11.097 366 2HG GLN 51 2HG GLN 51 4.803 -1.279 11.364 367 1HE2 GLN 51 1HE2 GLN 51 3.878 1.316 14.107 368 2HE2 GLN 51 2HE2 GLN 51 4.161 1.548 12.309 369 H ASN 52 H ASN 52 7.299 -2.589 13.994 370 HA ASN 52 HA ASN 52 10.041 -3.718 14.380 371 1HB ASN 52 1HB ASN 52 8.647 -3.260 17.020 372 2HB ASN 52 2HB ASN 52 10.356 -3.424 16.679 373 1HD2 ASN 52 1HD2 ASN 52 10.748 0.160 16.394 374 2HD2 ASN 52 2HD2 ASN 52 11.520 -1.503 16.331 375 HA PRO 53 HA PRO 53 6.237 -6.626 14.961 376 1HB PRO 53 1HB PRO 53 4.907 -5.527 13.330 377 2HB PRO 53 2HB PRO 53 5.185 -7.076 12.510 378 1HG PRO 53 1HG PRO 53 6.805 -6.262 11.054 379 2HG PRO 53 2HG PRO 53 5.937 -4.727 11.287 380 1HD PRO 53 1HD PRO 53 8.686 -5.325 12.005 381 2HD PRO 53 2HD PRO 53 7.775 -3.851 12.449 382 H THR 54 H THR 54 5.650 -8.802 13.422 383 HA THR 54 HA THR 54 8.264 -10.396 13.306 384 HB THR 54 HB THR 54 5.533 -11.227 14.357 385 HG1 THR 54 HG1 THR 54 7.034 -12.010 16.001 386 1HG2 THR 54 1HG2 THR 54 6.317 -13.563 14.573 387 2HG2 THR 54 2HG2 THR 54 6.268 -13.103 12.855 388 3HG2 THR 54 3HG2 THR 54 7.828 -13.182 13.712 389 H LYS 55 H LYS 55 8.126 -12.310 11.871 390 HA LYS 55 HA LYS 55 7.363 -11.513 9.117 391 1HB LYS 55 1HB LYS 55 8.096 -14.391 9.756 392 2HB LYS 55 2HB LYS 55 8.499 -13.430 8.349 393 1HG LYS 55 1HG LYS 55 9.917 -13.700 10.978 394 2HG LYS 55 2HG LYS 55 9.868 -12.054 10.377 395 1HD LYS 55 1HD LYS 55 10.846 -12.954 8.129 396 2HD LYS 55 2HD LYS 55 11.901 -12.904 9.533 397 1HE LYS 55 1HE LYS 55 10.952 -15.474 9.835 398 2HE LYS 55 2HE LYS 55 10.823 -15.333 8.081 399 1HZ LYS 55 1HZ LYS 55 13.278 -14.358 8.446 400 2HZ LYS 55 2HZ LYS 55 13.211 -15.354 9.762 401 3HZ LYS 55 3HZ LYS 55 12.982 -15.971 8.247 402 H GLU 56 H GLU 56 6.085 -13.653 11.612 403 HA GLU 56 HA GLU 56 4.034 -15.063 10.100 404 1HB GLU 56 1HB GLU 56 3.415 -16.020 12.047 405 2HB GLU 56 2HB GLU 56 4.935 -15.355 12.610 406 1HG GLU 56 1HG GLU 56 2.095 -14.373 13.203 407 2HG GLU 56 2HG GLU 56 3.436 -13.250 13.355 408 H GLU 57 H GLU 57 4.141 -11.890 11.622 409 HA GLU 57 HA GLU 57 1.250 -11.242 11.396 410 1HB GLU 57 1HB GLU 57 1.810 -8.986 12.069 411 2HB GLU 57 2HB GLU 57 3.506 -9.198 11.682 412 1HG GLU 57 1HG GLU 57 3.812 -10.773 13.583 413 2HG GLU 57 2HG GLU 57 2.086 -10.805 13.900 414 H LEU 58 H LEU 58 4.137 -10.832 9.418 415 HA LEU 58 HA LEU 58 3.076 -9.049 7.350 416 1HB LEU 58 1HB LEU 58 5.534 -9.610 7.724 417 2HB LEU 58 2HB LEU 58 5.257 -11.191 7.027 418 HG LEU 58 HG LEU 58 4.562 -8.698 5.392 419 1HD1 LEU 58 1HD1 LEU 58 6.896 -8.684 4.453 420 2HD1 LEU 58 2HD1 LEU 58 6.889 -8.271 6.173 421 3HD1 LEU 58 3HD1 LEU 58 7.398 -9.897 5.657 422 1HD2 LEU 58 1HD2 LEU 58 5.543 -11.507 4.548 423 2HD2 LEU 58 2HD2 LEU 58 3.862 -10.922 4.466 424 3HD2 LEU 58 3HD2 LEU 58 5.108 -10.174 3.449 425 H ASP 59 H ASP 59 2.999 -12.537 7.855 426 HA ASP 59 HA ASP 59 1.857 -13.313 5.253 427 1HB ASP 59 1HB ASP 59 2.272 -14.754 7.882 428 2HB ASP 59 2HB ASP 59 1.077 -15.415 6.790 429 H ALA 60 H ALA 60 0.529 -12.318 8.359 430 HA ALA 60 HA ALA 60 -2.295 -12.957 7.906 431 1HB ALA 60 1HB ALA 60 -2.748 -11.418 9.811 432 2HB ALA 60 2HB ALA 60 -1.402 -12.515 10.172 433 3HB ALA 60 3HB ALA 60 -1.075 -10.812 9.761 434 H ILE 61 H ILE 61 -0.360 -10.006 7.378 435 HA ILE 61 HA ILE 61 -2.266 -8.104 6.557 436 HB ILE 61 HB ILE 61 0.621 -8.495 5.818 437 1HG1 ILE 61 1HG1 ILE 61 -0.536 -5.799 6.612 438 2HG1 ILE 61 2HG1 ILE 61 1.010 -6.513 7.015 439 1HG2 ILE 61 1HG2 ILE 61 0.634 -6.564 4.217 440 2HG2 ILE 61 2HG2 ILE 61 -0.346 -7.887 3.588 441 3HG2 ILE 61 3HG2 ILE 61 -1.142 -6.463 4.296 442 1HD1 ILE 61 1HD1 ILE 61 0.017 -7.992 8.739 443 2HD1 ILE 61 2HD1 ILE 61 -0.438 -6.298 9.025 444 3HD1 ILE 61 3HD1 ILE 61 -1.621 -7.422 8.316 445 H ILE 62 H ILE 62 -0.930 -10.879 4.844 446 HA ILE 62 HA ILE 62 -1.982 -10.282 2.135 447 HB ILE 62 HB ILE 62 -0.853 -12.818 3.394 448 1HG1 ILE 62 1HG1 ILE 62 0.750 -10.942 2.680 449 2HG1 ILE 62 2HG1 ILE 62 1.055 -12.506 1.955 450 1HG2 ILE 62 1HG2 ILE 62 -1.048 -13.985 1.183 451 2HG2 ILE 62 2HG2 ILE 62 -2.646 -13.579 1.806 452 3HG2 ILE 62 3HG2 ILE 62 -1.935 -12.597 0.506 453 1HD1 ILE 62 1HD1 ILE 62 -0.291 -10.160 0.491 454 2HD1 ILE 62 2HD1 ILE 62 1.342 -10.811 0.237 455 3HD1 ILE 62 3HD1 ILE 62 -0.077 -11.797 -0.188 456 H GLU 63 H GLU 63 -3.024 -12.355 4.844 457 HA GLU 63 HA GLU 63 -5.417 -13.504 3.759 458 1HB GLU 63 1HB GLU 63 -6.138 -13.077 6.427 459 2HB GLU 63 2HB GLU 63 -4.389 -13.031 6.510 460 1HG GLU 63 1HG GLU 63 -6.116 -15.353 5.446 461 2HG GLU 63 2HG GLU 63 -4.372 -15.310 5.248 462 H GLU 64 H GLU 64 -4.817 -10.292 5.062 463 HA GLU 64 HA GLU 64 -7.599 -9.395 5.350 464 1HB GLU 64 1HB GLU 64 -5.497 -8.395 6.458 465 2HB GLU 64 2HB GLU 64 -5.191 -7.553 4.952 466 1HG GLU 64 1HG GLU 64 -7.032 -6.080 5.220 467 2HG GLU 64 2HG GLU 64 -7.951 -7.210 6.200 468 H VAL 65 H VAL 65 -5.099 -8.620 2.908 469 HA VAL 65 HA VAL 65 -6.656 -6.951 1.151 470 HB VAL 65 HB VAL 65 -4.121 -8.523 0.793 471 1HG1 VAL 65 1HG1 VAL 65 -4.764 -5.592 0.066 472 2HG1 VAL 65 2HG1 VAL 65 -4.227 -6.112 1.674 473 3HG1 VAL 65 3HG1 VAL 65 -3.157 -6.335 0.269 474 1HG2 VAL 65 1HG2 VAL 65 -3.896 -8.149 -1.614 475 2HG2 VAL 65 2HG2 VAL 65 -5.443 -8.999 -1.380 476 3HG2 VAL 65 3HG2 VAL 65 -5.436 -7.259 -1.699 477 H ASP 66 H ASP 66 -6.324 -10.477 1.343 478 HA ASP 66 HA ASP 66 -8.274 -10.875 -0.973 479 1HB ASP 66 1HB ASP 66 -6.829 -13.238 0.257 480 2HB ASP 66 2HB ASP 66 -5.876 -12.104 -0.672 481 H GLU 67 H GLU 67 -9.598 -9.882 0.974 482 HA GLU 67 HA GLU 67 -10.690 -11.849 2.968 483 1HB GLU 67 1HB GLU 67 -10.821 -9.755 3.899 484 2HB GLU 67 2HB GLU 67 -11.126 -8.938 2.379 485 1HG GLU 67 1HG GLU 67 -13.483 -9.340 2.464 486 2HG GLU 67 2HG GLU 67 -13.324 -10.726 3.530 487 H ASP 68 H ASP 68 -11.524 -10.476 -0.174 488 HA ASP 68 HA ASP 68 -13.389 -12.797 -0.737 489 1HB ASP 68 1HB ASP 68 -15.119 -11.413 0.008 490 2HB ASP 68 2HB ASP 68 -14.346 -9.935 -0.517 491 H GLY 69 H GLY 69 -12.404 -9.627 -2.105 492 1HA GLY 69 1HA GLY 69 -12.211 -10.693 -4.916 493 2HA GLY 69 2HA GLY 69 -11.853 -9.039 -4.408 494 H SER 70 H SER 70 -10.357 -10.979 -6.069 495 HA SER 70 HA SER 70 -7.680 -11.041 -4.565 496 1HB SER 70 1HB SER 70 -8.270 -12.856 -6.944 497 2HB SER 70 2HB SER 70 -8.808 -13.294 -5.320 498 HG SER 70 HG SER 70 -6.392 -13.464 -6.394 499 H GLY 71 H GLY 71 -6.959 -9.041 -5.164 500 1HA GLY 71 1HA GLY 71 -7.035 -7.213 -7.121 501 2HA GLY 71 2HA GLY 71 -6.454 -8.532 -8.143 502 H THR 72 H THR 72 -5.150 -6.057 -7.650 503 HA THR 72 HA THR 72 -2.505 -7.083 -6.552 504 HB THR 72 HB THR 72 -1.285 -5.925 -8.104 505 HG1 THR 72 HG1 THR 72 -3.329 -4.279 -8.999 506 1HG2 THR 72 1HG2 THR 72 -2.183 -7.406 -9.678 507 2HG2 THR 72 2HG2 THR 72 -3.845 -6.800 -9.503 508 3HG2 THR 72 3HG2 THR 72 -2.642 -5.858 -10.422 509 H ILE 73 H ILE 73 -1.227 -4.569 -6.376 510 HA ILE 73 HA ILE 73 -2.855 -2.991 -4.359 511 HB ILE 73 HB ILE 73 -1.199 -4.653 -3.274 512 1HG1 ILE 73 1HG1 ILE 73 -1.532 -1.722 -2.477 513 2HG1 ILE 73 2HG1 ILE 73 -0.592 -2.816 -1.479 514 1HG2 ILE 73 1HG2 ILE 73 1.126 -3.940 -2.860 515 2HG2 ILE 73 2HG2 ILE 73 0.877 -4.091 -4.605 516 3HG2 ILE 73 3HG2 ILE 73 0.915 -2.479 -3.853 517 1HD1 ILE 73 1HD1 ILE 73 -2.758 -4.398 -1.547 518 2HD1 ILE 73 2HD1 ILE 73 -2.686 -2.996 -0.459 519 3HD1 ILE 73 3HD1 ILE 73 -3.593 -2.883 -1.986 520 H ASP 74 H ASP 74 -2.371 -0.797 -4.236 521 HA ASP 74 HA ASP 74 -0.467 0.366 -6.329 522 1HB ASP 74 1HB ASP 74 -2.272 2.249 -6.633 523 2HB ASP 74 2HB ASP 74 -2.391 0.754 -7.533 524 H PHE 75 H PHE 75 -0.458 2.896 -5.895 525 HA PHE 75 HA PHE 75 0.941 3.160 -3.293 526 1HB PHE 75 1HB PHE 75 0.359 5.211 -5.507 527 2HB PHE 75 2HB PHE 75 1.820 4.279 -5.311 528 HD1 PHE 75 HD1 PHE 75 0.133 7.366 -4.469 529 HD2 PHE 75 HD2 PHE 75 3.184 4.690 -3.037 530 HE1 PHE 75 HE1 PHE 75 1.181 9.211 -3.224 531 HE2 PHE 75 HE2 PHE 75 4.204 6.546 -1.779 532 HZ PHE 75 HZ PHE 75 3.213 8.805 -1.875 533 H GLU 76 H GLU 76 -2.148 4.160 -4.669 534 HA GLU 76 HA GLU 76 -2.980 6.088 -2.608 535 1HB GLU 76 1HB GLU 76 -4.011 5.256 -5.081 536 2HB GLU 76 2HB GLU 76 -4.643 6.498 -4.018 537 1HG GLU 76 1HG GLU 76 -5.614 3.624 -4.386 538 2HG GLU 76 2HG GLU 76 -5.928 4.416 -2.851 539 H GLU 77 H GLU 77 -4.168 2.778 -3.253 540 HA GLU 77 HA GLU 77 -5.449 2.199 -0.726 541 1HB GLU 77 1HB GLU 77 -4.636 -0.296 -1.306 542 2HB GLU 77 2HB GLU 77 -4.221 0.423 -2.850 543 1HG GLU 77 1HG GLU 77 -6.997 0.142 -1.575 544 2HG GLU 77 2HG GLU 77 -6.734 1.351 -2.821 545 H PHE 78 H PHE 78 -2.065 2.241 -1.653 546 HA PHE 78 HA PHE 78 -0.927 0.686 0.541 547 1HB PHE 78 1HB PHE 78 0.650 0.865 -1.106 548 2HB PHE 78 2HB PHE 78 0.137 2.449 -1.625 549 HD1 PHE 78 HD1 PHE 78 2.300 0.599 0.799 550 HD2 PHE 78 HD2 PHE 78 1.151 4.506 -0.588 551 HE1 PHE 78 HE1 PHE 78 4.311 1.569 1.834 552 HE2 PHE 78 HE2 PHE 78 3.166 5.459 0.455 553 HZ PHE 78 HZ PHE 78 4.722 4.004 1.708 554 H LEU 79 H LEU 79 -1.666 4.129 0.135 555 HA LEU 79 HA LEU 79 -0.552 5.063 2.743 556 1HB LEU 79 1HB LEU 79 -2.653 6.429 0.958 557 2HB LEU 79 2HB LEU 79 -1.812 7.168 2.304 558 HG LEU 79 HG LEU 79 -0.652 6.357 -0.419 559 1HD1 LEU 79 1HD1 LEU 79 1.039 7.275 1.993 560 2HD1 LEU 79 2HD1 LEU 79 0.960 5.602 1.409 561 3HD1 LEU 79 3HD1 LEU 79 1.631 6.875 0.360 562 1HD2 LEU 79 1HD2 LEU 79 -0.051 8.731 -0.625 563 2HD2 LEU 79 2HD2 LEU 79 -1.758 8.664 -0.121 564 3HD2 LEU 79 3HD2 LEU 79 -0.506 9.058 1.066 565 H VAL 80 H VAL 80 -3.607 3.827 1.508 566 HA VAL 80 HA VAL 80 -5.389 4.612 3.672 567 HB VAL 80 HB VAL 80 -5.594 2.411 1.582 568 1HG1 VAL 80 1HG1 VAL 80 -7.930 1.916 2.332 569 2HG1 VAL 80 2HG1 VAL 80 -6.762 1.466 3.581 570 3HG1 VAL 80 3HG1 VAL 80 -7.712 2.959 3.762 571 1HG2 VAL 80 1HG2 VAL 80 -7.321 4.932 2.043 572 2HG2 VAL 80 2HG2 VAL 80 -6.055 4.768 0.804 573 3HG2 VAL 80 3HG2 VAL 80 -7.503 3.755 0.719 574 H MET 81 H MET 81 -3.298 1.796 3.166 575 HA MET 81 HA MET 81 -4.244 0.263 5.550 576 1HB MET 81 1HB MET 81 -2.936 -1.485 4.829 577 2HB MET 81 2HB MET 81 -3.137 -0.636 3.308 578 1HG MET 81 1HG MET 81 -0.849 -0.911 3.167 579 2HG MET 81 2HG MET 81 -0.805 0.573 4.132 580 1HE MET 81 1HE MET 81 -0.110 -3.782 5.411 581 2HE MET 81 2HE MET 81 -1.764 -3.278 5.868 582 3HE MET 81 3HE MET 81 -1.244 -3.185 4.160 583 H MET 82 H MET 82 -1.629 2.480 4.742 584 HA MET 82 HA MET 82 0.175 2.017 6.979 585 1HB MET 82 1HB MET 82 -0.218 4.344 5.064 586 2HB MET 82 2HB MET 82 0.749 4.608 6.503 587 1HG MET 82 1HG MET 82 1.888 2.230 5.568 588 2HG MET 82 2HG MET 82 1.398 3.004 4.052 589 1HE MET 82 1HE MET 82 4.191 4.814 7.303 590 2HE MET 82 2HE MET 82 2.847 3.659 7.545 591 3HE MET 82 3HE MET 82 4.382 3.099 6.821 592 H VAL 83 H VAL 83 -2.337 4.525 6.528 593 HA VAL 83 HA VAL 83 -2.180 5.759 9.178 594 HB VAL 83 HB VAL 83 -4.766 6.293 8.572 595 1HG1 VAL 83 1HG1 VAL 83 -3.557 5.908 5.763 596 2HG1 VAL 83 2HG1 VAL 83 -4.701 4.770 6.488 597 3HG1 VAL 83 3HG1 VAL 83 -5.203 6.449 6.179 598 1HG2 VAL 83 1HG2 VAL 83 -4.050 8.404 7.577 599 2HG2 VAL 83 2HG2 VAL 83 -2.815 7.977 8.783 600 3HG2 VAL 83 3HG2 VAL 83 -2.485 7.722 7.064 601 NH1 ARG 84 NH1 ARG 84 -7.917 -2.878 6.613 602 NH2 ARG 84 NH2 ARG 84 -8.527 -1.873 4.670 603 H ARG 84 H ARG 84 -4.254 3.185 7.821 604 HA ARG 84 HA ARG 84 -5.974 2.519 10.040 605 1HB ARG 84 1HB ARG 84 -4.892 0.988 7.676 606 2HB ARG 84 2HB ARG 84 -5.428 0.013 9.037 607 1HG ARG 84 1HG ARG 84 -7.589 1.702 8.893 608 2HG ARG 84 2HG ARG 84 -7.078 1.764 7.205 609 1HD ARG 84 1HD ARG 84 -7.210 -1.002 8.458 610 2HD ARG 84 2HD ARG 84 -8.752 -0.189 8.197 611 HE ARG 84 HE ARG 84 -7.303 0.079 5.713 612 1HH1 ARG 84 1HH1 ARG 84 -8.708 -2.823 4.327 613 2HH1 ARG 84 2HH1 ARG 84 -8.675 -0.996 4.159 614 1HH2 ARG 84 1HH2 ARG 84 -7.644 -2.767 7.596 615 2HH2 ARG 84 2HH2 ARG 84 -8.094 -3.761 6.120 616 H GLN 85 H GLN 85 -2.582 1.700 9.422 617 HA GLN 85 HA GLN 85 -2.260 -0.340 11.542 618 1HB GLN 85 1HB GLN 85 0.195 1.187 10.726 619 2HB GLN 85 2HB GLN 85 -0.713 0.493 9.394 620 1HG GLN 85 1HG GLN 85 1.225 -0.878 10.662 621 2HG GLN 85 2HG GLN 85 -0.137 -1.677 9.905 622 1HE2 GLN 85 1HE2 GLN 85 -1.377 -2.981 13.016 623 2HE2 GLN 85 2HE2 GLN 85 -1.678 -2.719 11.225 624 H MET 86 H MET 86 -1.233 3.074 11.269 625 HA MET 86 HA MET 86 0.004 3.447 13.839 626 1HB MET 86 1HB MET 86 -0.993 5.237 11.709 627 2HB MET 86 2HB MET 86 -1.264 5.935 13.296 628 1HG MET 86 1HG MET 86 1.065 6.283 11.942 629 2HG MET 86 2HG MET 86 1.502 4.782 12.773 630 1HE MET 86 1HE MET 86 -0.733 8.102 14.030 631 2HE MET 86 2HE MET 86 0.718 8.937 14.660 632 3HE MET 86 3HE MET 86 0.630 8.487 12.932 633 H LYS 87 H LYS 87 -3.383 3.506 12.877 634 HA LYS 87 HA LYS 87 -4.627 4.601 15.290 635 1HB LYS 87 1HB LYS 87 -5.649 3.833 12.879 636 2HB LYS 87 2HB LYS 87 -6.077 2.397 13.786 637 1HG LYS 87 1HG LYS 87 -7.588 3.559 15.198 638 2HG LYS 87 2HG LYS 87 -7.848 4.261 13.613 639 1HD LYS 87 1HD LYS 87 -6.172 5.553 15.869 640 2HD LYS 87 2HD LYS 87 -6.377 6.224 14.259 641 1HE LYS 87 1HE LYS 87 -8.636 6.827 14.588 642 2HE LYS 87 2HE LYS 87 -8.920 5.610 15.834 643 1HZ LYS 87 1HZ LYS 87 -7.604 8.237 16.088 644 2HZ LYS 87 2HZ LYS 87 -8.766 7.552 17.042 645 3HZ LYS 87 3HZ LYS 87 -7.198 7.046 17.159 646 H GLU 88 H GLU 88 -4.004 1.219 14.283 647 HA GLU 88 HA GLU 88 -4.931 -0.179 16.653 648 1HB GLU 88 1HB GLU 88 -4.275 -1.219 14.415 649 2HB GLU 88 2HB GLU 88 -2.594 -1.071 14.887 650 1HG GLU 88 1HG GLU 88 -2.829 -2.694 16.684 651 2HG GLU 88 2HG GLU 88 -4.581 -2.595 16.668 652 H ASP 89 H ASP 89 -1.480 0.167 15.839 653 HA ASP 89 HA ASP 89 0.471 0.624 17.156 654 1HB ASP 89 1HB ASP 89 -0.889 2.826 17.455 655 2HB ASP 89 2HB ASP 89 -1.342 2.223 19.032 656 H ALA 90 H ALA 90 -0.104 -1.780 17.500 657 HA ALA 90 HA ALA 90 -0.909 -2.610 20.279 658 1HB ALA 90 1HB ALA 90 -0.157 -4.965 19.384 659 2HB ALA 90 2HB ALA 90 -1.579 -4.221 18.626 660 3HB ALA 90 3HB ALA 90 -0.009 -4.189 17.787 Start of MODEL 16 Raw file had 660 H/Q atoms Start of MODEL 16 1 1H ALA 1 1H ALA 1 -20.809 4.083 7.952 2 2H ALA 1 2H ALA 1 -20.337 2.542 8.432 3 3H ALA 1 3H ALA 1 -19.218 3.585 7.732 4 HA ALA 1 HA ALA 1 -20.351 1.667 6.398 5 1HB ALA 1 1HB ALA 1 -22.480 3.738 6.775 6 2HB ALA 1 2HB ALA 1 -22.258 3.250 5.085 7 3HB ALA 1 3HB ALA 1 -22.638 2.024 6.322 8 H SER 2 H SER 2 -20.279 2.064 3.993 9 HA SER 2 HA SER 2 -19.190 2.917 2.017 10 1HB SER 2 1HB SER 2 -18.519 5.515 3.454 11 2HB SER 2 2HB SER 2 -18.894 5.237 1.751 12 HG SER 2 HG SER 2 -21.004 4.402 2.847 13 H MET 3 H MET 3 -17.542 1.438 2.116 14 HA MET 3 HA MET 3 -15.056 1.864 3.760 15 1HB MET 3 1HB MET 3 -14.469 -0.213 1.956 16 2HB MET 3 2HB MET 3 -16.203 -0.372 2.166 17 1HG MET 3 1HG MET 3 -14.806 0.006 4.781 18 2HG MET 3 2HG MET 3 -14.226 -1.408 3.887 19 1HE MET 3 1HE MET 3 -15.926 -2.323 6.677 20 2HE MET 3 2HE MET 3 -16.038 -0.543 6.545 21 3HE MET 3 3HE MET 3 -17.529 -1.522 6.663 22 H THR 4 H THR 4 -16.064 1.939 0.351 23 HA THR 4 HA THR 4 -13.627 2.649 -1.008 24 HB THR 4 HB THR 4 -16.527 3.111 -1.577 25 HG1 THR 4 HG1 THR 4 -14.928 1.396 -2.225 26 1HG2 THR 4 1HG2 THR 4 -16.147 4.466 -3.603 27 2HG2 THR 4 2HG2 THR 4 -15.667 5.411 -2.175 28 3HG2 THR 4 3HG2 THR 4 -14.425 4.674 -3.220 29 H ASP 5 H ASP 5 -15.708 4.506 1.119 30 HA ASP 5 HA ASP 5 -14.523 7.170 0.625 31 1HB ASP 5 1HB ASP 5 -16.650 7.386 1.544 32 2HB ASP 5 2HB ASP 5 -16.452 6.061 2.667 33 H GLN 6 H GLN 6 -14.106 4.686 3.143 34 HA GLN 6 HA GLN 6 -12.279 5.959 4.938 35 1HB GLN 6 1HB GLN 6 -12.467 3.971 5.965 36 2HB GLN 6 2HB GLN 6 -13.225 3.290 4.536 37 1HG GLN 6 1HG GLN 6 -10.260 3.197 5.298 38 2HG GLN 6 2HG GLN 6 -10.757 2.895 3.646 39 1HE2 GLN 6 1HE2 GLN 6 -10.767 -0.512 5.017 40 2HE2 GLN 6 2HE2 GLN 6 -9.655 0.782 4.341 41 H GLN 7 H GLN 7 -11.656 4.327 1.859 42 HA GLN 7 HA GLN 7 -8.805 4.053 1.832 43 1HB GLN 7 1HB GLN 7 -9.628 3.089 -0.076 44 2HB GLN 7 2HB GLN 7 -10.906 4.275 -0.272 45 1HG GLN 7 1HG GLN 7 -9.288 5.923 -1.249 46 2HG GLN 7 2HG GLN 7 -7.961 4.804 -1.012 47 1HE2 GLN 7 1HE2 GLN 7 -10.547 4.272 -4.203 48 2HE2 GLN 7 2HE2 GLN 7 -10.768 5.593 -2.949 49 H ALA 8 H ALA 8 -10.757 6.864 0.776 50 HA ALA 8 HA ALA 8 -8.435 8.579 0.086 51 1HB ALA 8 1HB ALA 8 -10.938 8.640 -0.796 52 2HB ALA 8 2HB ALA 8 -11.215 9.724 0.582 53 3HB ALA 8 3HB ALA 8 -10.016 10.156 -0.663 54 H GLU 9 H GLU 9 -10.497 8.086 2.896 55 HA GLU 9 HA GLU 9 -10.171 10.464 4.433 56 1HB GLU 9 1HB GLU 9 -11.175 9.391 6.138 57 2HB GLU 9 2HB GLU 9 -11.468 8.159 4.927 58 1HG GLU 9 1HG GLU 9 -9.026 7.265 5.903 59 2HG GLU 9 2HG GLU 9 -10.593 6.717 6.474 60 H ALA 10 H ALA 10 -7.946 7.763 3.973 61 HA ALA 10 HA ALA 10 -6.019 8.267 6.098 62 1HB ALA 10 1HB ALA 10 -4.454 6.855 4.772 63 2HB ALA 10 2HB ALA 10 -6.072 6.131 4.847 64 3HB ALA 10 3HB ALA 10 -5.528 6.940 3.355 65 NH1 ARG 11 NH1 ARG 11 -4.612 12.577 -3.904 66 NH2 ARG 11 NH2 ARG 11 -6.776 12.791 -3.242 67 H ARG 11 H ARG 11 -6.103 9.323 2.690 68 HA ARG 11 HA ARG 11 -3.606 10.822 2.570 69 1HB ARG 11 1HB ARG 11 -6.094 11.610 0.959 70 2HB ARG 11 2HB ARG 11 -5.226 10.115 0.637 71 1HG ARG 11 1HG ARG 11 -4.323 12.964 0.159 72 2HG ARG 11 2HG ARG 11 -3.070 11.806 0.609 73 1HD ARG 11 1HD ARG 11 -3.260 11.890 -1.860 74 2HD ARG 11 2HD ARG 11 -3.727 10.290 -1.288 75 HE ARG 11 HE ARG 11 -6.181 11.004 -1.614 76 1HH1 ARG 11 1HH1 ARG 11 -4.866 13.213 -4.668 77 2HH1 ARG 11 2HH1 ARG 11 -3.691 12.159 -3.732 78 1HH2 ARG 11 1HH2 ARG 11 -7.505 12.539 -2.566 79 2HH2 ARG 11 2HH2 ARG 11 -6.878 13.410 -4.054 80 H ALA 12 H ALA 12 -6.798 11.626 3.807 81 HA ALA 12 HA ALA 12 -6.272 14.574 4.032 82 1HB ALA 12 1HB ALA 12 -8.594 14.693 4.919 83 2HB ALA 12 2HB ALA 12 -8.533 13.762 3.409 84 3HB ALA 12 3HB ALA 12 -8.703 12.916 4.967 85 H PHE 13 H PHE 13 -4.703 12.476 5.631 86 HA PHE 13 HA PHE 13 -5.096 13.742 8.394 87 1HB PHE 13 1HB PHE 13 -5.516 11.260 8.341 88 2HB PHE 13 2HB PHE 13 -3.897 10.977 7.758 89 HD1 PHE 13 HD1 PHE 13 -4.010 9.460 9.956 90 HD2 PHE 13 HD2 PHE 13 -3.907 13.761 10.089 91 HE1 PHE 13 HE1 PHE 13 -3.084 9.380 12.235 92 HE2 PHE 13 HE2 PHE 13 -2.981 13.659 12.365 93 HZ PHE 13 HZ PHE 13 -2.594 11.474 13.453 94 H LEU 14 H LEU 14 -2.831 12.642 5.905 95 HA LEU 14 HA LEU 14 -0.516 14.202 7.132 96 1HB LEU 14 1HB LEU 14 0.686 12.438 6.438 97 2HB LEU 14 2HB LEU 14 0.467 13.009 4.797 98 HG LEU 14 HG LEU 14 -1.623 11.147 6.043 99 1HD1 LEU 14 1HD1 LEU 14 -2.005 10.464 3.670 100 2HD1 LEU 14 2HD1 LEU 14 -2.201 12.216 3.856 101 3HD1 LEU 14 3HD1 LEU 14 -0.717 11.564 3.117 102 1HD2 LEU 14 1HD2 LEU 14 1.001 10.216 4.695 103 2HD2 LEU 14 2HD2 LEU 14 0.552 9.970 6.400 104 3HD2 LEU 14 3HD2 LEU 14 -0.375 9.168 5.124 105 H SER 15 H SER 15 0.884 15.225 5.299 106 HA SER 15 HA SER 15 -0.881 17.291 3.940 107 1HB SER 15 1HB SER 15 1.932 17.286 5.034 108 2HB SER 15 2HB SER 15 0.634 18.466 5.230 109 HG SER 15 HG SER 15 2.566 18.246 3.308 110 H GLU 16 H GLU 16 0.075 18.183 1.856 111 HA GLU 16 HA GLU 16 -0.007 16.113 -0.236 112 1HB GLU 16 1HB GLU 16 1.073 18.784 -1.036 113 2HB GLU 16 2HB GLU 16 -0.462 18.847 -0.194 114 1HG GLU 16 1HG GLU 16 0.116 18.036 -2.973 115 2HG GLU 16 2HG GLU 16 -0.762 16.753 -2.157 116 H GLU 17 H GLU 17 2.539 17.901 1.393 117 HA GLU 17 HA GLU 17 4.743 17.106 -0.473 118 1HB GLU 17 1HB GLU 17 4.588 19.257 1.055 119 2HB GLU 17 2HB GLU 17 5.260 18.230 2.306 120 1HG GLU 17 1HG GLU 17 7.326 18.778 1.518 121 2HG GLU 17 2HG GLU 17 7.009 17.750 0.131 122 H MET 18 H MET 18 3.404 16.047 2.608 123 HA MET 18 HA MET 18 5.429 14.118 3.473 124 1HB MET 18 1HB MET 18 2.480 13.556 3.968 125 2HB MET 18 2HB MET 18 3.186 15.003 4.663 126 1HG MET 18 1HG MET 18 3.611 12.131 5.432 127 2HG MET 18 2HG MET 18 5.087 13.109 5.432 128 1HE MET 18 1HE MET 18 5.170 12.443 7.983 129 2HE MET 18 2HE MET 18 4.130 13.162 9.247 130 3HE MET 18 3HE MET 18 3.510 11.820 8.242 131 H ILE 19 H ILE 19 2.412 13.669 1.603 132 HA ILE 19 HA ILE 19 2.674 10.912 0.820 133 HB ILE 19 HB ILE 19 1.459 13.175 -0.846 134 1HG1 ILE 19 1HG1 ILE 19 0.187 13.072 1.212 135 2HG1 ILE 19 2HG1 ILE 19 -0.763 12.237 0.002 136 1HG2 ILE 19 1HG2 ILE 19 0.231 11.396 -2.111 137 2HG2 ILE 19 2HG2 ILE 19 1.971 11.185 -2.297 138 3HG2 ILE 19 3HG2 ILE 19 1.071 10.126 -1.187 139 1HD1 ILE 19 1HD1 ILE 19 0.870 10.824 2.191 140 2HD1 ILE 19 2HD1 ILE 19 -0.896 10.968 2.071 141 3HD1 ILE 19 3HD1 ILE 19 -0.008 9.992 0.878 142 H ALA 20 H ALA 20 4.061 13.858 -0.608 143 HA ALA 20 HA ALA 20 5.228 12.899 -3.018 144 1HB ALA 20 1HB ALA 20 6.910 14.831 -1.418 145 2HB ALA 20 2HB ALA 20 6.378 14.907 -3.109 146 3HB ALA 20 3HB ALA 20 5.245 15.329 -1.800 147 H GLU 21 H GLU 21 6.593 12.816 0.276 148 HA GLU 21 HA GLU 21 9.207 11.665 -0.475 149 1HB GLU 21 1HB GLU 21 7.821 12.072 2.210 150 2HB GLU 21 2HB GLU 21 9.141 12.988 1.511 151 1HG GLU 21 1HG GLU 21 9.491 10.025 2.272 152 2HG GLU 21 2HG GLU 21 9.655 11.304 3.462 153 H PHE 22 H PHE 22 6.104 10.383 0.579 154 HA PHE 22 HA PHE 22 6.846 7.682 1.337 155 1HB PHE 22 1HB PHE 22 4.218 8.853 0.296 156 2HB PHE 22 2HB PHE 22 4.360 7.137 0.573 157 HD1 PHE 22 HD1 PHE 22 2.559 9.278 2.040 158 HD2 PHE 22 HD2 PHE 22 6.352 7.532 3.085 159 HE1 PHE 22 HE1 PHE 22 2.033 9.538 4.428 160 HE2 PHE 22 HE2 PHE 22 5.801 7.788 5.469 161 HZ PHE 22 HZ PHE 22 3.666 8.835 6.145 162 H LYS 23 H LYS 23 5.575 8.912 -1.771 163 HA LYS 23 HA LYS 23 5.604 6.505 -3.331 164 1HB LYS 23 1HB LYS 23 4.995 9.166 -3.881 165 2HB LYS 23 2HB LYS 23 4.902 7.836 -5.015 166 1HG LYS 23 1HG LYS 23 7.491 9.446 -4.679 167 2HG LYS 23 2HG LYS 23 7.053 8.390 -6.008 168 1HD LYS 23 1HD LYS 23 4.981 10.287 -6.129 169 2HD LYS 23 2HD LYS 23 6.304 11.248 -5.489 170 1HE LYS 23 1HE LYS 23 6.207 11.383 -7.983 171 2HE LYS 23 2HE LYS 23 7.756 10.742 -7.432 172 1HZ LYS 23 1HZ LYS 23 6.359 9.582 -9.324 173 2HZ LYS 23 2HZ LYS 23 7.271 8.681 -8.282 174 3HZ LYS 23 3HZ LYS 23 5.638 8.800 -8.061 175 H ALA 24 H ALA 24 8.212 8.731 -2.503 176 HA ALA 24 HA ALA 24 10.425 7.975 -4.105 177 1HB ALA 24 1HB ALA 24 11.892 8.496 -2.167 178 2HB ALA 24 2HB ALA 24 10.593 9.693 -2.329 179 3HB ALA 24 3HB ALA 24 10.500 8.446 -1.059 180 H ALA 25 H ALA 25 9.829 6.487 -0.906 181 HA ALA 25 HA ALA 25 11.656 4.267 -1.176 182 1HB ALA 25 1HB ALA 25 10.512 3.287 0.805 183 2HB ALA 25 2HB ALA 25 10.792 5.025 1.021 184 3HB ALA 25 3HB ALA 25 9.159 4.429 0.629 185 H PHE 26 H PHE 26 8.304 4.637 -2.157 186 HA PHE 26 HA PHE 26 7.510 1.882 -2.567 187 1HB PHE 26 1HB PHE 26 6.044 4.027 -2.640 188 2HB PHE 26 2HB PHE 26 6.540 4.227 -4.300 189 HD1 PHE 26 HD1 PHE 26 4.286 2.465 -2.029 190 HD2 PHE 26 HD2 PHE 26 6.013 2.222 -5.962 191 HE1 PHE 26 HE1 PHE 26 2.365 1.134 -2.802 192 HE2 PHE 26 HE2 PHE 26 4.084 0.891 -6.717 193 HZ PHE 26 HZ PHE 26 2.272 0.324 -5.136 194 H ASP 27 H ASP 27 9.176 4.202 -4.673 195 HA ASP 27 HA ASP 27 9.172 2.584 -7.136 196 1HB ASP 27 1HB ASP 27 9.622 5.205 -6.774 197 2HB ASP 27 2HB ASP 27 11.296 4.707 -6.673 198 H MET 28 H MET 28 11.055 2.486 -4.248 199 HA MET 28 HA MET 28 13.617 1.482 -5.141 200 1HB MET 28 1HB MET 28 13.757 0.278 -2.869 201 2HB MET 28 2HB MET 28 12.128 0.841 -2.539 202 1HG MET 28 1HG MET 28 14.421 2.793 -3.200 203 2HG MET 28 2HG MET 28 12.823 3.195 -2.553 204 1HE MET 28 1HE MET 28 16.523 1.471 -1.154 205 2HE MET 28 2HE MET 28 16.182 2.990 -2.035 206 3HE MET 28 3HE MET 28 16.412 3.022 -0.262 207 H PHE 29 H PHE 29 10.543 -0.194 -4.558 208 HA PHE 29 HA PHE 29 11.745 -2.851 -5.537 209 1HB PHE 29 1HB PHE 29 9.775 -3.970 -4.404 210 2HB PHE 29 2HB PHE 29 9.225 -2.424 -3.821 211 HD1 PHE 29 HD1 PHE 29 10.681 -1.087 -2.148 212 HD2 PHE 29 HD2 PHE 29 11.518 -5.188 -3.154 213 HE1 PHE 29 HE1 PHE 29 11.966 -1.348 -0.066 214 HE2 PHE 29 HE2 PHE 29 12.820 -5.419 -1.080 215 HZ PHE 29 HZ PHE 29 13.038 -3.509 0.470 216 H ASP 30 H ASP 30 10.911 -0.641 -7.204 217 HA ASP 30 HA ASP 30 8.721 -2.014 -8.828 218 1HB ASP 30 1HB ASP 30 8.787 1.025 -8.371 219 2HB ASP 30 2HB ASP 30 7.678 -0.083 -7.596 220 H ALA 31 H ALA 31 10.626 -2.857 -9.863 221 HA ALA 31 HA ALA 31 12.778 -1.344 -11.106 222 1HB ALA 31 1HB ALA 31 13.185 -3.398 -12.468 223 2HB ALA 31 2HB ALA 31 12.914 -3.787 -10.758 224 3HB ALA 31 3HB ALA 31 11.626 -4.083 -11.954 225 H ASP 32 H ASP 32 9.716 -2.580 -12.464 226 HA ASP 32 HA ASP 32 9.385 -0.256 -14.325 227 1HB ASP 32 1HB ASP 32 9.184 -1.992 -16.362 228 2HB ASP 32 2HB ASP 32 10.316 -2.934 -15.420 229 H GLY 33 H GLY 33 7.310 0.141 -14.424 230 1HA GLY 33 1HA GLY 33 5.200 -1.640 -13.323 231 2HA GLY 33 2HA GLY 33 5.136 -1.639 -15.088 232 H GLY 34 H GLY 34 5.218 0.555 -12.284 233 1HA GLY 34 1HA GLY 34 4.438 3.071 -13.498 234 2HA GLY 34 2HA GLY 34 2.934 2.183 -13.232 235 H GLY 35 H GLY 35 2.375 1.510 -11.105 236 1HA GLY 35 1HA GLY 35 3.872 2.635 -8.710 237 2HA GLY 35 2HA GLY 35 2.282 3.343 -9.011 238 H ASP 36 H ASP 36 3.752 0.091 -8.954 239 HA ASP 36 HA ASP 36 1.830 -0.923 -6.880 240 1HB ASP 36 1HB ASP 36 0.947 -2.819 -8.295 241 2HB ASP 36 2HB ASP 36 0.309 -1.237 -8.679 242 H ILE 37 H ILE 37 2.399 -3.038 -6.157 243 HA ILE 37 HA ILE 37 5.002 -4.307 -7.086 244 HB ILE 37 HB ILE 37 5.779 -4.394 -4.611 245 1HG1 ILE 37 1HG1 ILE 37 3.971 -1.893 -4.436 246 2HG1 ILE 37 2HG1 ILE 37 3.816 -3.355 -3.485 247 1HG2 ILE 37 1HG2 ILE 37 7.203 -2.368 -4.948 248 2HG2 ILE 37 2HG2 ILE 37 7.014 -3.241 -6.475 249 3HG2 ILE 37 3HG2 ILE 37 6.090 -1.747 -6.190 250 1HD1 ILE 37 1HD1 ILE 37 6.160 -1.380 -3.247 251 2HD1 ILE 37 2HD1 ILE 37 4.841 -1.651 -2.087 252 3HD1 ILE 37 3HD1 ILE 37 6.043 -2.931 -2.371 253 H SER 38 H SER 38 5.344 -6.295 -5.556 254 HA SER 38 HA SER 38 2.975 -8.059 -5.656 255 1HB SER 38 1HB SER 38 5.372 -8.793 -3.956 256 2HB SER 38 2HB SER 38 5.612 -8.590 -5.693 257 HG SER 38 HG SER 38 3.677 -10.238 -4.425 258 H THR 39 H THR 39 2.048 -9.134 -3.810 259 HA THR 39 HA THR 39 1.301 -7.243 -1.598 260 HB THR 39 HB THR 39 -0.365 -8.735 -2.848 261 HG1 THR 39 HG1 THR 39 -1.392 -9.219 -0.719 262 1HG2 THR 39 1HG2 THR 39 -0.851 -10.976 -1.970 263 2HG2 THR 39 2HG2 THR 39 0.805 -10.967 -2.619 264 3HG2 THR 39 3HG2 THR 39 0.535 -10.909 -0.857 265 H LYS 40 H LYS 40 3.225 -10.143 -2.093 266 HA LYS 40 HA LYS 40 3.656 -10.895 0.720 267 1HB LYS 40 1HB LYS 40 5.022 -11.592 -1.907 268 2HB LYS 40 2HB LYS 40 5.878 -11.955 -0.423 269 1HG LYS 40 1HG LYS 40 4.775 -13.965 -0.816 270 2HG LYS 40 2HG LYS 40 3.669 -13.209 0.314 271 1HD LYS 40 1HD LYS 40 2.332 -14.215 -1.465 272 2HD LYS 40 2HD LYS 40 2.207 -12.468 -1.598 273 1HE LYS 40 1HE LYS 40 3.546 -12.341 -3.570 274 2HE LYS 40 2HE LYS 40 2.534 -13.762 -3.832 275 1HZ LYS 40 1HZ LYS 40 4.642 -14.501 -4.373 276 2HZ LYS 40 2HZ LYS 40 5.414 -13.645 -3.190 277 3HZ LYS 40 3HZ LYS 40 4.565 -15.009 -2.803 278 H GLU 41 H GLU 41 5.213 -8.680 -1.532 279 HA GLU 41 HA GLU 41 7.613 -8.156 0.203 280 1HB GLU 41 1HB GLU 41 8.018 -6.304 -1.623 281 2HB GLU 41 2HB GLU 41 6.721 -7.084 -2.507 282 1HG GLU 41 1HG GLU 41 8.001 -9.229 -2.600 283 2HG GLU 41 2HG GLU 41 9.255 -8.570 -1.563 284 H LEU 42 H LEU 42 4.569 -6.600 -0.686 285 HA LEU 42 HA LEU 42 4.681 -3.968 0.144 286 1HB LEU 42 1HB LEU 42 2.534 -6.020 0.139 287 2HB LEU 42 2HB LEU 42 2.540 -4.387 -0.494 288 HG LEU 42 HG LEU 42 2.250 -4.922 2.519 289 1HD1 LEU 42 1HD1 LEU 42 -0.102 -4.620 0.548 290 2HD1 LEU 42 2HD1 LEU 42 0.436 -6.174 1.202 291 3HD1 LEU 42 3HD1 LEU 42 -0.196 -4.923 2.302 292 1HD2 LEU 42 1HD2 LEU 42 1.253 -2.666 2.614 293 2HD2 LEU 42 2HD2 LEU 42 2.810 -2.547 1.756 294 3HD2 LEU 42 3HD2 LEU 42 1.294 -2.517 0.837 295 H GLY 43 H GLY 43 4.176 -6.734 2.353 296 1HA GLY 43 1HA GLY 43 4.116 -5.546 4.962 297 2HA GLY 43 2HA GLY 43 4.912 -7.088 4.627 298 H THR 44 H THR 44 7.094 -6.871 3.499 299 HA THR 44 HA THR 44 9.104 -5.897 5.114 300 HB THR 44 HB THR 44 9.084 -6.364 2.134 301 HG1 THR 44 HG1 THR 44 9.425 -8.152 3.108 302 1HG2 THR 44 1HG2 THR 44 11.554 -6.007 1.988 303 2HG2 THR 44 2HG2 THR 44 10.700 -4.475 2.272 304 3HG2 THR 44 3HG2 THR 44 11.559 -5.277 3.612 305 H VAL 45 H VAL 45 7.520 -4.046 2.527 306 HA VAL 45 HA VAL 45 9.192 -1.703 2.414 307 HB VAL 45 HB VAL 45 6.160 -1.706 1.982 308 1HG1 VAL 45 1HG1 VAL 45 8.322 -2.168 -0.168 309 2HG1 VAL 45 2HG1 VAL 45 7.409 -3.479 0.589 310 3HG1 VAL 45 3HG1 VAL 45 6.551 -2.249 -0.366 311 1HG2 VAL 45 1HG2 VAL 45 6.459 0.248 0.550 312 2HG2 VAL 45 2HG2 VAL 45 7.274 0.625 2.085 313 3HG2 VAL 45 3HG2 VAL 45 8.236 0.164 0.673 314 H MET 46 H MET 46 6.244 -2.273 4.369 315 HA MET 46 HA MET 46 6.124 0.248 5.771 316 1HB MET 46 1HB MET 46 5.092 -1.539 7.662 317 2HB MET 46 2HB MET 46 4.914 -2.451 6.174 318 1HG MET 46 1HG MET 46 3.939 0.446 6.194 319 2HG MET 46 2HG MET 46 3.363 -0.925 5.232 320 1HE MET 46 1HE MET 46 2.614 -3.140 6.349 321 2HE MET 46 2HE MET 46 1.496 -3.187 7.744 322 3HE MET 46 3HE MET 46 0.973 -2.434 6.210 323 NH1 ARG 47 NH1 ARG 47 12.721 -7.287 10.396 324 NH2 ARG 47 NH2 ARG 47 13.422 -7.132 8.240 325 H ARG 47 H ARG 47 7.993 -2.675 6.402 326 HA ARG 47 HA ARG 47 8.888 -2.041 9.149 327 1HB ARG 47 1HB ARG 47 8.877 -4.367 7.913 328 2HB ARG 47 2HB ARG 47 10.403 -3.855 7.207 329 1HG ARG 47 1HG ARG 47 11.592 -3.935 9.227 330 2HG ARG 47 2HG ARG 47 10.172 -3.619 10.226 331 1HD ARG 47 1HD ARG 47 10.560 -5.912 10.672 332 2HD ARG 47 2HD ARG 47 9.304 -5.997 9.439 333 HE ARG 47 HE ARG 47 10.999 -6.729 7.778 334 1HH1 ARG 47 1HH1 ARG 47 13.663 -7.642 10.594 335 2HH1 ARG 47 2HH1 ARG 47 11.967 -7.135 11.074 336 1HH2 ARG 47 1HH2 ARG 47 13.203 -6.864 7.274 337 2HH2 ARG 47 2HH2 ARG 47 14.315 -7.497 8.589 338 H MET 48 H MET 48 10.184 -1.463 5.906 339 HA MET 48 HA MET 48 12.704 -0.138 6.918 340 1HB MET 48 1HB MET 48 12.466 -1.612 4.738 341 2HB MET 48 2HB MET 48 11.798 -0.168 3.998 342 1HG MET 48 1HG MET 48 13.906 0.578 3.561 343 2HG MET 48 2HG MET 48 14.235 0.688 5.298 344 1HE MET 48 1HE MET 48 16.253 -2.233 6.316 345 2HE MET 48 2HE MET 48 15.095 -0.948 6.769 346 3HE MET 48 3HE MET 48 14.503 -2.599 6.423 347 H LEU 49 H LEU 49 9.728 0.868 7.196 348 HA LEU 49 HA LEU 49 10.192 3.739 6.224 349 1HB LEU 49 1HB LEU 49 7.627 3.915 6.745 350 2HB LEU 49 2HB LEU 49 7.628 2.166 6.815 351 HG LEU 49 HG LEU 49 8.747 2.305 4.386 352 1HD1 LEU 49 1HD1 LEU 49 6.478 2.213 3.347 353 2HD1 LEU 49 2HD1 LEU 49 6.510 1.286 4.858 354 3HD1 LEU 49 3HD1 LEU 49 5.743 2.893 4.822 355 1HD2 LEU 49 1HD2 LEU 49 7.326 5.050 4.521 356 2HD2 LEU 49 2HD2 LEU 49 9.072 4.782 4.297 357 3HD2 LEU 49 3HD2 LEU 49 7.936 4.267 3.041 358 H GLY 50 H GLY 50 9.390 1.628 8.937 359 1HA GLY 50 1HA GLY 50 10.800 2.679 11.051 360 2HA GLY 50 2HA GLY 50 9.545 3.918 10.942 361 H GLN 51 H GLN 51 9.439 0.372 10.584 362 HA GLN 51 HA GLN 51 7.837 0.056 13.154 363 1HB GLN 51 1HB GLN 51 6.765 -1.274 10.613 364 2HB GLN 51 2HB GLN 51 6.017 -1.155 12.196 365 1HG GLN 51 1HG GLN 51 6.139 1.513 11.681 366 2HG GLN 51 2HG GLN 51 6.199 0.962 10.019 367 1HE2 GLN 51 1HE2 GLN 51 2.568 1.418 11.207 368 2HE2 GLN 51 2HE2 GLN 51 4.074 2.466 11.225 369 H ASN 52 H ASN 52 7.247 -2.602 12.901 370 HA ASN 52 HA ASN 52 9.644 -4.141 11.974 371 1HB ASN 52 1HB ASN 52 10.000 -3.153 14.419 372 2HB ASN 52 2HB ASN 52 8.989 -4.485 14.935 373 1HD2 ASN 52 1HD2 ASN 52 12.646 -5.531 14.988 374 2HD2 ASN 52 2HD2 ASN 52 11.572 -4.291 15.810 375 HA PRO 53 HA PRO 53 4.938 -6.094 12.149 376 1HB PRO 53 1HB PRO 53 4.443 -6.426 9.724 377 2HB PRO 53 2HB PRO 53 6.193 -6.283 9.353 378 1HG PRO 53 1HG PRO 53 4.441 -4.014 10.477 379 2HG PRO 53 2HG PRO 53 5.355 -4.017 8.935 380 1HD PRO 53 1HD PRO 53 7.470 -3.915 10.065 381 2HD PRO 53 2HD PRO 53 6.446 -3.037 11.244 382 H THR 54 H THR 54 4.672 -8.271 12.406 383 HA THR 54 HA THR 54 7.115 -10.072 12.457 384 HB THR 54 HB THR 54 6.218 -11.130 14.177 385 HG1 THR 54 HG1 THR 54 4.105 -12.023 14.056 386 1HG2 THR 54 1HG2 THR 54 4.291 -10.215 15.429 387 2HG2 THR 54 2HG2 THR 54 5.320 -8.883 14.855 388 3HG2 THR 54 3HG2 THR 54 3.784 -9.243 14.027 389 H LYS 55 H LYS 55 6.689 -12.357 11.672 390 HA LYS 55 HA LYS 55 6.093 -12.187 8.739 391 1HB LYS 55 1HB LYS 55 7.977 -13.514 9.065 392 2HB LYS 55 2HB LYS 55 6.737 -14.730 8.844 393 1HG LYS 55 1HG LYS 55 8.364 -14.042 11.283 394 2HG LYS 55 2HG LYS 55 6.697 -14.470 11.616 395 1HD LYS 55 1HD LYS 55 8.264 -16.446 11.766 396 2HD LYS 55 2HD LYS 55 6.945 -16.677 10.629 397 1HE LYS 55 1HE LYS 55 9.465 -15.567 9.396 398 2HE LYS 55 2HE LYS 55 9.596 -17.214 10.017 399 1HZ LYS 55 1HZ LYS 55 8.699 -16.684 7.603 400 2HZ LYS 55 2HZ LYS 55 8.128 -17.981 8.453 401 3HZ LYS 55 3HZ LYS 55 7.241 -16.589 8.374 402 H GLU 56 H GLU 56 4.709 -13.618 11.651 403 HA GLU 56 HA GLU 56 2.626 -15.262 10.350 404 1HB GLU 56 1HB GLU 56 1.725 -15.689 12.522 405 2HB GLU 56 2HB GLU 56 2.429 -14.243 13.217 406 1HG GLU 56 1HG GLU 56 4.765 -15.495 12.511 407 2HG GLU 56 2HG GLU 56 3.743 -16.918 12.615 408 H GLU 57 H GLU 57 2.828 -11.968 11.606 409 HA GLU 57 HA GLU 57 -0.089 -11.348 11.365 410 1HB GLU 57 1HB GLU 57 2.175 -9.316 11.706 411 2HB GLU 57 2HB GLU 57 0.467 -9.071 12.014 412 1HG GLU 57 1HG GLU 57 2.476 -10.695 13.667 413 2HG GLU 57 2HG GLU 57 0.758 -11.017 13.829 414 H LEU 58 H LEU 58 2.840 -10.980 9.445 415 HA LEU 58 HA LEU 58 1.859 -9.206 7.340 416 1HB LEU 58 1HB LEU 58 4.257 -9.655 7.579 417 2HB LEU 58 2HB LEU 58 4.038 -11.367 7.292 418 HG LEU 58 HG LEU 58 4.933 -9.699 5.378 419 1HD1 LEU 58 1HD1 LEU 58 4.160 -11.343 3.637 420 2HD1 LEU 58 2HD1 LEU 58 4.754 -12.167 5.086 421 3HD1 LEU 58 3HD1 LEU 58 3.001 -12.041 4.797 422 1HD2 LEU 58 1HD2 LEU 58 1.881 -9.591 4.882 423 2HD2 LEU 58 2HD2 LEU 58 2.915 -8.209 5.322 424 3HD2 LEU 58 3HD2 LEU 58 3.147 -9.023 3.764 425 H ASP 59 H ASP 59 1.602 -12.670 7.914 426 HA ASP 59 HA ASP 59 0.495 -13.524 5.353 427 1HB ASP 59 1HB ASP 59 0.288 -14.775 8.140 428 2HB ASP 59 2HB ASP 59 -0.538 -15.468 6.763 429 H ALA 60 H ALA 60 -1.011 -12.311 8.335 430 HA ALA 60 HA ALA 60 -3.842 -12.624 7.618 431 1HB ALA 60 1HB ALA 60 -4.278 -10.943 9.403 432 2HB ALA 60 2HB ALA 60 -3.130 -12.181 9.947 433 3HB ALA 60 3HB ALA 60 -2.544 -10.556 9.507 434 H ILE 61 H ILE 61 -1.571 -9.876 7.314 435 HA ILE 61 HA ILE 61 -3.195 -7.910 6.090 436 HB ILE 61 HB ILE 61 -0.514 -8.028 6.700 437 1HG1 ILE 61 1HG1 ILE 61 -1.349 -5.732 4.887 438 2HG1 ILE 61 2HG1 ILE 61 -2.338 -6.002 6.305 439 1HG2 ILE 61 1HG2 ILE 61 0.815 -7.468 4.648 440 2HG2 ILE 61 2HG2 ILE 61 0.130 -9.087 4.523 441 3HG2 ILE 61 3HG2 ILE 61 -0.615 -7.745 3.624 442 1HD1 ILE 61 1HD1 ILE 61 0.679 -5.415 6.396 443 2HD1 ILE 61 2HD1 ILE 61 -0.655 -4.338 6.864 444 3HD1 ILE 61 3HD1 ILE 61 -0.328 -5.804 7.818 445 H ILE 62 H ILE 62 -1.641 -10.774 4.744 446 HA ILE 62 HA ILE 62 -2.036 -10.148 1.867 447 HB ILE 62 HB ILE 62 -1.235 -12.702 3.329 448 1HG1 ILE 62 1HG1 ILE 62 0.855 -11.811 3.131 449 2HG1 ILE 62 2HG1 ILE 62 0.735 -12.078 1.405 450 1HG2 ILE 62 1HG2 ILE 62 -0.901 -13.837 1.118 451 2HG2 ILE 62 2HG2 ILE 62 -2.600 -13.432 1.349 452 3HG2 ILE 62 3HG2 ILE 62 -1.599 -12.435 0.270 453 1HD1 ILE 62 1HD1 ILE 62 0.051 -9.419 2.792 454 2HD1 ILE 62 2HD1 ILE 62 1.453 -9.784 1.765 455 3HD1 ILE 62 3HD1 ILE 62 -0.176 -9.749 1.052 456 H GLU 63 H GLU 63 -3.802 -11.927 4.359 457 HA GLU 63 HA GLU 63 -5.822 -13.164 2.626 458 1HB GLU 63 1HB GLU 63 -5.517 -12.794 5.597 459 2HB GLU 63 2HB GLU 63 -5.679 -14.259 4.649 460 1HG GLU 63 1HG GLU 63 -7.901 -12.366 5.600 461 2HG GLU 63 2HG GLU 63 -8.196 -13.456 4.255 462 H GLU 64 H GLU 64 -5.551 -10.033 4.196 463 HA GLU 64 HA GLU 64 -8.406 -9.246 3.863 464 1HB GLU 64 1HB GLU 64 -6.128 -7.321 4.516 465 2HB GLU 64 2HB GLU 64 -6.731 -8.462 5.701 466 1HG GLU 64 1HG GLU 64 -9.135 -7.339 5.013 467 2HG GLU 64 2HG GLU 64 -8.104 -6.707 6.285 468 H VAL 65 H VAL 65 -5.323 -8.480 2.263 469 HA VAL 65 HA VAL 65 -6.455 -6.434 0.421 470 HB VAL 65 HB VAL 65 -4.158 -6.176 1.120 471 1HG1 VAL 65 1HG1 VAL 65 -2.297 -7.705 0.442 472 2HG1 VAL 65 2HG1 VAL 65 -3.476 -8.557 1.457 473 3HG1 VAL 65 3HG1 VAL 65 -3.457 -8.834 -0.301 474 1HG2 VAL 65 1HG2 VAL 65 -4.222 -6.787 -1.916 475 2HG2 VAL 65 2HG2 VAL 65 -4.661 -5.245 -1.143 476 3HG2 VAL 65 3HG2 VAL 65 -2.988 -5.817 -1.075 477 H ASP 66 H ASP 66 -5.805 -9.892 0.366 478 HA ASP 66 HA ASP 66 -6.364 -10.119 -2.613 479 1HB ASP 66 1HB ASP 66 -4.363 -11.324 -1.496 480 2HB ASP 66 2HB ASP 66 -5.521 -12.405 -0.756 481 H GLU 67 H GLU 67 -8.475 -9.259 -1.116 482 HA GLU 67 HA GLU 67 -10.407 -11.444 -0.446 483 1HB GLU 67 1HB GLU 67 -10.469 -8.459 -0.445 484 2HB GLU 67 2HB GLU 67 -11.992 -9.205 -0.885 485 1HG GLU 67 1HG GLU 67 -10.492 -10.078 1.655 486 2HG GLU 67 2HG GLU 67 -11.506 -8.645 1.647 487 H ASP 68 H ASP 68 -9.588 -9.402 -3.203 488 HA ASP 68 HA ASP 68 -10.659 -11.396 -5.156 489 1HB ASP 68 1HB ASP 68 -12.181 -8.772 -4.770 490 2HB ASP 68 2HB ASP 68 -12.150 -9.576 -6.323 491 H GLY 69 H GLY 69 -8.495 -11.369 -5.766 492 1HA GLY 69 1HA GLY 69 -7.721 -9.560 -7.975 493 2HA GLY 69 2HA GLY 69 -6.891 -9.055 -6.499 494 H SER 70 H SER 70 -5.228 -9.758 -8.297 495 HA SER 70 HA SER 70 -4.436 -12.697 -8.018 496 1HB SER 70 1HB SER 70 -3.042 -10.741 -9.892 497 2HB SER 70 2HB SER 70 -3.166 -12.499 -9.998 498 HG SER 70 HG SER 70 -5.005 -10.514 -10.642 499 H GLY 71 H GLY 71 -4.214 -10.753 -5.851 500 1HA GLY 71 1HA GLY 71 -2.633 -10.370 -4.036 501 2HA GLY 71 2HA GLY 71 -1.462 -11.340 -4.935 502 H THR 72 H THR 72 -3.173 -8.280 -5.610 503 HA THR 72 HA THR 72 -0.497 -6.966 -6.262 504 HB THR 72 HB THR 72 -1.657 -5.489 -7.893 505 HG1 THR 72 HG1 THR 72 -3.761 -6.328 -6.771 506 1HG2 THR 72 1HG2 THR 72 -2.307 -7.379 -9.646 507 2HG2 THR 72 2HG2 THR 72 -0.608 -7.181 -9.163 508 3HG2 THR 72 3HG2 THR 72 -1.590 -8.493 -8.461 509 H ILE 73 H ILE 73 -0.328 -4.712 -5.800 510 HA ILE 73 HA ILE 73 -2.273 -3.533 -3.848 511 HB ILE 73 HB ILE 73 -0.578 -4.992 -2.554 512 1HG1 ILE 73 1HG1 ILE 73 -1.216 -3.883 -0.666 513 2HG1 ILE 73 2HG1 ILE 73 -2.219 -2.994 -1.798 514 1HG2 ILE 73 1HG2 ILE 73 1.559 -4.001 -1.822 515 2HG2 ILE 73 2HG2 ILE 73 1.569 -4.142 -3.585 516 3HG2 ILE 73 3HG2 ILE 73 1.298 -2.555 -2.825 517 1HD1 ILE 73 1HD1 ILE 73 -0.163 -1.277 -1.941 518 2HD1 ILE 73 2HD1 ILE 73 -1.292 -1.235 -0.570 519 3HD1 ILE 73 3HD1 ILE 73 0.295 -2.019 -0.384 520 H ASP 74 H ASP 74 -2.050 -1.287 -3.598 521 HA ASP 74 HA ASP 74 -0.328 0.114 -5.711 522 1HB ASP 74 1HB ASP 74 -2.400 1.745 -5.919 523 2HB ASP 74 2HB ASP 74 -2.296 0.282 -6.871 524 H PHE 75 H PHE 75 -0.609 2.615 -5.284 525 HA PHE 75 HA PHE 75 0.775 3.085 -2.703 526 1HB PHE 75 1HB PHE 75 -0.147 5.152 -4.786 527 2HB PHE 75 2HB PHE 75 1.343 4.252 -4.895 528 HD1 PHE 75 HD1 PHE 75 3.170 4.651 -3.080 529 HD2 PHE 75 HD2 PHE 75 -0.395 7.057 -3.244 530 HE1 PHE 75 HE1 PHE 75 4.342 6.486 -1.934 531 HE2 PHE 75 HE2 PHE 75 0.800 8.885 -2.105 532 HZ PHE 75 HZ PHE 75 3.154 8.592 -1.420 533 H GLU 76 H GLU 76 -2.476 3.475 -3.955 534 HA GLU 76 HA GLU 76 -3.588 5.331 -1.995 535 1HB GLU 76 1HB GLU 76 -4.923 3.217 -3.750 536 2HB GLU 76 2HB GLU 76 -5.843 4.193 -2.623 537 1HG GLU 76 1HG GLU 76 -4.300 5.140 -5.106 538 2HG GLU 76 2HG GLU 76 -6.026 5.237 -4.802 539 H GLU 77 H GLU 77 -4.213 1.820 -2.196 540 HA GLU 77 HA GLU 77 -5.110 1.324 0.507 541 1HB GLU 77 1HB GLU 77 -3.609 -0.577 -1.367 542 2HB GLU 77 2HB GLU 77 -4.291 -1.065 0.171 543 1HG GLU 77 1HG GLU 77 -6.547 0.070 -0.975 544 2HG GLU 77 2HG GLU 77 -5.690 -0.402 -2.433 545 H PHE 78 H PHE 78 -1.890 1.706 -0.851 546 HA PHE 78 HA PHE 78 -0.260 0.604 1.277 547 1HB PHE 78 1HB PHE 78 0.285 2.642 -0.922 548 2HB PHE 78 2HB PHE 78 0.847 0.997 -0.788 549 HD1 PHE 78 HD1 PHE 78 1.710 1.480 2.338 550 HD2 PHE 78 HD2 PHE 78 2.515 3.579 -1.330 551 HE1 PHE 78 HE1 PHE 78 3.961 2.055 3.149 552 HE2 PHE 78 HE2 PHE 78 4.763 4.145 -0.502 553 HZ PHE 78 HZ PHE 78 5.510 3.338 1.711 554 H LEU 79 H LEU 79 -1.578 3.861 0.756 555 HA LEU 79 HA LEU 79 -0.360 5.158 3.143 556 1HB LEU 79 1HB LEU 79 -2.799 6.005 1.467 557 2HB LEU 79 2HB LEU 79 -2.066 6.977 2.725 558 HG LEU 79 HG LEU 79 -0.374 6.038 0.347 559 1HD1 LEU 79 1HD1 LEU 79 -0.168 8.587 2.073 560 2HD1 LEU 79 2HD1 LEU 79 0.761 7.105 2.368 561 3HD1 LEU 79 3HD1 LEU 79 1.006 8.019 0.859 562 1HD2 LEU 79 1HD2 LEU 79 -0.979 8.030 -0.959 563 2HD2 LEU 79 2HD2 LEU 79 -2.495 7.192 -0.545 564 3HD2 LEU 79 3HD2 LEU 79 -2.023 8.646 0.347 565 H VAL 80 H VAL 80 -3.255 3.307 2.423 566 HA VAL 80 HA VAL 80 -4.878 4.023 4.749 567 HB VAL 80 HB VAL 80 -5.020 1.483 3.046 568 1HG1 VAL 80 1HG1 VAL 80 -7.346 1.202 3.928 569 2HG1 VAL 80 2HG1 VAL 80 -6.161 1.085 5.236 570 3HG1 VAL 80 3HG1 VAL 80 -7.111 2.575 5.040 571 1HG2 VAL 80 1HG2 VAL 80 -6.744 4.041 2.867 572 2HG2 VAL 80 2HG2 VAL 80 -5.493 3.563 1.696 573 3HG2 VAL 80 3HG2 VAL 80 -6.941 2.564 1.892 574 H MET 81 H MET 81 -2.362 1.629 4.152 575 HA MET 81 HA MET 81 -2.746 -0.001 6.585 576 1HB MET 81 1HB MET 81 -0.140 0.181 4.975 577 2HB MET 81 2HB MET 81 -0.669 -1.123 6.023 578 1HG MET 81 1HG MET 81 -2.618 -0.598 3.811 579 2HG MET 81 2HG MET 81 -0.999 -1.027 3.236 580 1HE MET 81 1HE MET 81 -3.958 -3.662 5.638 581 2HE MET 81 2HE MET 81 -3.163 -2.364 6.577 582 3HE MET 81 3HE MET 81 -4.154 -1.950 5.148 583 H MET 82 H MET 82 -0.572 2.672 5.694 584 HA MET 82 HA MET 82 1.073 2.639 8.135 585 1HB MET 82 1HB MET 82 0.759 4.543 5.799 586 2HB MET 82 2HB MET 82 1.452 5.200 7.270 587 1HG MET 82 1HG MET 82 2.603 2.610 6.095 588 2HG MET 82 2HG MET 82 3.380 3.775 7.179 589 1HE MET 82 1HE MET 82 5.707 4.613 4.387 590 2HE MET 82 2HE MET 82 5.345 5.538 5.874 591 3HE MET 82 3HE MET 82 5.381 3.751 5.924 592 H VAL 83 H VAL 83 -1.813 4.441 7.134 593 HA VAL 83 HA VAL 83 -2.000 6.163 9.537 594 HB VAL 83 HB VAL 83 -4.313 5.501 7.650 595 1HG1 VAL 83 1HG1 VAL 83 -5.169 7.758 8.299 596 2HG1 VAL 83 2HG1 VAL 83 -5.007 6.721 9.723 597 3HG1 VAL 83 3HG1 VAL 83 -3.794 7.985 9.411 598 1HG2 VAL 83 1HG2 VAL 83 -2.216 7.742 7.277 599 2HG2 VAL 83 2HG2 VAL 83 -2.415 6.320 6.226 600 3HG2 VAL 83 3HG2 VAL 83 -3.703 7.529 6.317 601 NH1 ARG 84 NH1 ARG 84 -8.271 -2.051 8.455 602 NH2 ARG 84 NH2 ARG 84 -8.077 -0.622 6.700 603 H ARG 84 H ARG 84 -3.179 2.989 8.573 604 HA ARG 84 HA ARG 84 -5.136 2.416 10.649 605 1HB ARG 84 1HB ARG 84 -3.297 0.202 9.648 606 2HB ARG 84 2HB ARG 84 -4.335 1.029 8.494 607 1HG ARG 84 1HG ARG 84 -5.393 -0.306 11.058 608 2HG ARG 84 2HG ARG 84 -6.379 0.452 9.806 609 1HD ARG 84 1HD ARG 84 -4.458 -1.815 9.037 610 2HD ARG 84 2HD ARG 84 -6.004 -2.204 9.788 611 HE ARG 84 HE ARG 84 -5.620 -1.124 7.019 612 1HH1 ARG 84 1HH1 ARG 84 -9.080 -0.785 6.558 613 2HH1 ARG 84 2HH1 ARG 84 -7.474 0.011 6.163 614 1HH2 ARG 84 1HH2 ARG 84 -7.825 -2.485 9.271 615 2HH2 ARG 84 2HH2 ARG 84 -9.254 -2.141 8.171 616 H GLN 85 H GLN 85 -1.610 1.790 10.556 617 HA GLN 85 HA GLN 85 -1.528 0.579 13.292 618 1HB GLN 85 1HB GLN 85 1.134 1.142 12.661 619 2HB GLN 85 2HB GLN 85 0.415 1.035 11.064 620 1HG GLN 85 1HG GLN 85 -0.151 -1.248 11.275 621 2HG GLN 85 2HG GLN 85 1.412 -1.141 12.057 622 1HE2 GLN 85 1HE2 GLN 85 0.077 -1.955 15.345 623 2HE2 GLN 85 2HE2 GLN 85 1.453 -1.143 14.443 624 H MET 86 H MET 86 -0.890 3.710 11.817 625 HA MET 86 HA MET 86 0.754 5.032 13.776 626 1HB MET 86 1HB MET 86 -1.390 6.759 12.568 627 2HB MET 86 2HB MET 86 -0.438 5.841 11.415 628 1HG MET 86 1HG MET 86 1.010 7.622 11.509 629 2HG MET 86 2HG MET 86 1.605 6.872 12.998 630 1HE MET 86 1HE MET 86 2.351 9.770 13.469 631 2HE MET 86 2HE MET 86 1.514 9.969 11.901 632 3HE MET 86 3HE MET 86 1.043 10.983 13.296 633 H LYS 87 H LYS 87 -2.804 5.328 13.485 634 HA LYS 87 HA LYS 87 -3.133 6.376 16.278 635 1HB LYS 87 1HB LYS 87 -4.683 6.482 13.882 636 2HB LYS 87 2HB LYS 87 -5.645 5.503 14.971 637 1HG LYS 87 1HG LYS 87 -4.980 8.425 15.074 638 2HG LYS 87 2HG LYS 87 -4.904 7.638 16.638 639 1HD LYS 87 1HD LYS 87 -7.364 7.652 14.765 640 2HD LYS 87 2HD LYS 87 -7.270 6.766 16.279 641 1HE LYS 87 1HE LYS 87 -6.772 9.789 16.273 642 2HE LYS 87 2HE LYS 87 -8.421 9.159 16.279 643 1HZ LYS 87 1HZ LYS 87 -7.511 7.756 18.282 644 2HZ LYS 87 2HZ LYS 87 -6.349 8.927 18.362 645 3HZ LYS 87 3HZ LYS 87 -7.943 9.334 18.512 646 H GLU 88 H GLU 88 -3.492 3.339 14.526 647 HA GLU 88 HA GLU 88 -3.645 1.068 15.320 648 1HB GLU 88 1HB GLU 88 -3.770 2.039 18.201 649 2HB GLU 88 2HB GLU 88 -3.196 0.505 17.576 650 1HG GLU 88 1HG GLU 88 -1.125 1.514 16.721 651 2HG GLU 88 2HG GLU 88 -1.734 3.144 16.959 652 H ASP 89 H ASP 89 -5.209 -0.245 16.828 653 HA ASP 89 HA ASP 89 -8.023 0.922 16.516 654 1HB ASP 89 1HB ASP 89 -7.634 -2.077 16.686 655 2HB ASP 89 2HB ASP 89 -7.120 -1.282 15.217 656 H ALA 90 H ALA 90 -9.601 0.209 18.075 657 HA ALA 90 HA ALA 90 -8.835 -0.937 20.730 658 1HB ALA 90 1HB ALA 90 -9.658 1.424 21.830 659 2HB ALA 90 2HB ALA 90 -7.947 1.081 21.507 660 3HB ALA 90 3HB ALA 90 -8.879 2.088 20.372 Start of MODEL 17 Raw file had 660 H/Q atoms Start of MODEL 17 1 1H ALA 1 1H ALA 1 -18.606 -6.382 6.735 2 2H ALA 1 2H ALA 1 -17.777 -6.987 8.067 3 3H ALA 1 3H ALA 1 -18.756 -5.630 8.231 4 HA ALA 1 HA ALA 1 -16.868 -4.517 8.097 5 1HB ALA 1 1HB ALA 1 -15.866 -7.149 7.015 6 2HB ALA 1 2HB ALA 1 -14.944 -5.718 6.517 7 3HB ALA 1 3HB ALA 1 -15.149 -6.086 8.249 8 H SER 2 H SER 2 -16.375 -2.892 6.697 9 HA SER 2 HA SER 2 -16.752 -3.056 3.715 10 1HB SER 2 1HB SER 2 -18.746 -1.956 3.431 11 2HB SER 2 2HB SER 2 -19.107 -2.768 4.957 12 HG SER 2 HG SER 2 -18.185 -0.768 5.935 13 H MET 3 H MET 3 -16.012 -1.193 2.657 14 HA MET 3 HA MET 3 -14.738 1.036 4.328 15 1HB MET 3 1HB MET 3 -12.733 1.094 2.919 16 2HB MET 3 2HB MET 3 -13.340 -0.188 1.888 17 1HG MET 3 1HG MET 3 -11.843 -0.403 4.419 18 2HG MET 3 2HG MET 3 -13.347 -1.332 4.521 19 1HE MET 3 1HE MET 3 -10.008 -1.432 4.085 20 2HE MET 3 2HE MET 3 -10.227 -3.204 4.171 21 3HE MET 3 3HE MET 3 -9.508 -2.466 2.710 22 H THR 4 H THR 4 -16.799 1.991 3.757 23 HA THR 4 HA THR 4 -17.742 2.413 1.007 24 HB THR 4 HB THR 4 -19.050 4.412 2.188 25 HG1 THR 4 HG1 THR 4 -18.686 2.773 4.414 26 1HG2 THR 4 1HG2 THR 4 -20.836 2.889 2.948 27 2HG2 THR 4 2HG2 THR 4 -20.206 2.312 1.389 28 3HG2 THR 4 3HG2 THR 4 -19.748 1.485 2.900 29 H ASP 5 H ASP 5 -15.544 4.125 3.145 30 HA ASP 5 HA ASP 5 -14.341 5.696 0.943 31 1HB ASP 5 1HB ASP 5 -14.811 8.010 1.954 32 2HB ASP 5 2HB ASP 5 -16.083 7.261 1.016 33 H GLN 6 H GLN 6 -13.234 3.892 2.514 34 HA GLN 6 HA GLN 6 -11.734 5.114 4.832 35 1HB GLN 6 1HB GLN 6 -11.446 2.398 3.418 36 2HB GLN 6 2HB GLN 6 -10.391 2.936 4.713 37 1HG GLN 6 1HG GLN 6 -12.016 1.532 5.757 38 2HG GLN 6 2HG GLN 6 -13.361 2.228 4.877 39 1HE2 GLN 6 1HE2 GLN 6 -13.965 4.729 7.373 40 2HE2 GLN 6 2HE2 GLN 6 -14.553 3.740 5.943 41 H GLN 7 H GLN 7 -11.273 4.324 1.420 42 HA GLN 7 HA GLN 7 -8.423 4.598 1.097 43 1HB GLN 7 1HB GLN 7 -10.116 5.745 -1.126 44 2HB GLN 7 2HB GLN 7 -8.737 4.661 -1.188 45 1HG GLN 7 1HG GLN 7 -10.176 2.973 -1.607 46 2HG GLN 7 2HG GLN 7 -10.662 3.041 0.075 47 1HE2 GLN 7 1HE2 GLN 7 -13.129 5.104 -2.596 48 2HE2 GLN 7 2HE2 GLN 7 -11.308 5.327 -2.643 49 H ALA 8 H ALA 8 -10.972 7.098 0.845 50 HA ALA 8 HA ALA 8 -9.187 9.353 0.215 51 1HB ALA 8 1HB ALA 8 -11.407 10.635 1.132 52 2HB ALA 8 2HB ALA 8 -11.314 9.890 -0.476 53 3HB ALA 8 3HB ALA 8 -12.122 9.028 0.858 54 H GLU 9 H GLU 9 -10.371 7.893 3.183 55 HA GLU 9 HA GLU 9 -10.012 10.042 5.089 56 1HB GLU 9 1HB GLU 9 -11.197 7.800 5.474 57 2HB GLU 9 2HB GLU 9 -9.623 7.081 5.755 58 1HG GLU 9 1HG GLU 9 -10.857 9.369 7.423 59 2HG GLU 9 2HG GLU 9 -9.253 8.709 7.691 60 H ALA 10 H ALA 10 -7.743 7.743 3.684 61 HA ALA 10 HA ALA 10 -5.492 8.119 5.527 62 1HB ALA 10 1HB ALA 10 -4.135 6.950 3.797 63 2HB ALA 10 2HB ALA 10 -5.676 6.119 4.080 64 3HB ALA 10 3HB ALA 10 -5.453 7.105 2.612 65 NH1 ARG 11 NH1 ARG 11 -7.778 13.366 -1.369 66 NH2 ARG 11 NH2 ARG 11 -8.408 11.247 -1.887 67 H ARG 11 H ARG 11 -6.114 9.400 2.243 68 HA ARG 11 HA ARG 11 -3.678 11.010 1.944 69 1HB ARG 11 1HB ARG 11 -6.388 11.040 0.526 70 2HB ARG 11 2HB ARG 11 -4.830 10.478 -0.062 71 1HG ARG 11 1HG ARG 11 -5.827 13.344 0.174 72 2HG ARG 11 2HG ARG 11 -4.089 13.053 0.261 73 1HD ARG 11 1HD ARG 11 -4.078 11.941 -1.956 74 2HD ARG 11 2HD ARG 11 -4.817 13.534 -2.097 75 HE ARG 11 HE ARG 11 -6.126 11.219 -2.985 76 1HH1 ARG 11 1HH1 ARG 11 -9.321 11.507 -1.497 77 2HH1 ARG 11 2HH1 ARG 11 -8.157 10.351 -2.319 78 1HH2 ARG 11 1HH2 ARG 11 -7.008 14.031 -1.229 79 2HH2 ARG 11 2HH2 ARG 11 -8.776 13.536 -1.196 80 H ALA 12 H ALA 12 -6.911 11.682 3.220 81 HA ALA 12 HA ALA 12 -6.638 14.622 3.473 82 1HB ALA 12 1HB ALA 12 -8.732 14.506 4.809 83 2HB ALA 12 2HB ALA 12 -8.869 13.557 3.316 84 3HB ALA 12 3HB ALA 12 -8.630 12.730 4.875 85 H PHE 13 H PHE 13 -5.936 11.839 5.514 86 HA PHE 13 HA PHE 13 -5.525 13.183 8.075 87 1HB PHE 13 1HB PHE 13 -4.130 10.609 7.134 88 2HB PHE 13 2HB PHE 13 -5.791 10.653 7.662 89 HD1 PHE 13 HD1 PHE 13 -2.309 11.599 8.857 90 HD2 PHE 13 HD2 PHE 13 -6.276 10.385 10.005 91 HE1 PHE 13 HE1 PHE 13 -1.555 11.289 11.179 92 HE2 PHE 13 HE2 PHE 13 -5.503 10.087 12.321 93 HZ PHE 13 HZ PHE 13 -3.158 10.581 12.922 94 H LEU 14 H LEU 14 -3.232 12.153 5.534 95 HA LEU 14 HA LEU 14 -0.900 13.571 6.820 96 1HB LEU 14 1HB LEU 14 0.508 12.443 5.319 97 2HB LEU 14 2HB LEU 14 -0.698 12.345 4.054 98 HG LEU 14 HG LEU 14 -1.956 10.645 5.669 99 1HD1 LEU 14 1HD1 LEU 14 -0.668 8.736 4.699 100 2HD1 LEU 14 2HD1 LEU 14 -0.932 9.995 3.480 101 3HD1 LEU 14 3HD1 LEU 14 0.666 9.829 4.249 102 1HD2 LEU 14 1HD2 LEU 14 0.899 10.487 6.850 103 2HD2 LEU 14 2HD2 LEU 14 -0.570 10.998 7.718 104 3HD2 LEU 14 3HD2 LEU 14 -0.418 9.327 7.157 105 H SER 15 H SER 15 0.488 14.884 5.257 106 HA SER 15 HA SER 15 -1.219 17.088 4.054 107 1HB SER 15 1HB SER 15 0.833 17.291 5.801 108 2HB SER 15 2HB SER 15 1.779 17.386 4.314 109 HG SER 15 HG SER 15 0.844 19.369 5.244 110 H GLU 16 H GLU 16 0.450 18.229 2.275 111 HA GLU 16 HA GLU 16 0.357 16.394 -0.104 112 1HB GLU 16 1HB GLU 16 -0.238 19.020 0.107 113 2HB GLU 16 2HB GLU 16 1.450 19.206 -0.323 114 1HG GLU 16 1HG GLU 16 0.432 19.281 -2.436 115 2HG GLU 16 2HG GLU 16 0.900 17.591 -2.362 116 H GLU 17 H GLU 17 2.709 17.949 1.987 117 HA GLU 17 HA GLU 17 5.104 17.382 0.287 118 1HB GLU 17 1HB GLU 17 4.838 18.466 3.128 119 2HB GLU 17 2HB GLU 17 6.398 18.044 2.450 120 1HG GLU 17 1HG GLU 17 5.692 20.530 2.301 121 2HG GLU 17 2HG GLU 17 4.490 20.063 1.109 122 H MET 18 H MET 18 3.449 15.922 3.034 123 HA MET 18 HA MET 18 5.458 13.900 3.777 124 1HB MET 18 1HB MET 18 3.734 14.439 5.395 125 2HB MET 18 2HB MET 18 2.440 14.047 4.277 126 1HG MET 18 1HG MET 18 2.598 11.740 4.646 127 2HG MET 18 2HG MET 18 4.347 11.779 4.915 128 1HE MET 18 1HE MET 18 5.113 10.947 6.696 129 2HE MET 18 2HE MET 18 4.895 11.529 8.373 130 3HE MET 18 3HE MET 18 3.878 10.195 7.754 131 H ILE 19 H ILE 19 2.791 14.037 1.469 132 HA ILE 19 HA ILE 19 2.698 11.206 0.650 133 HB ILE 19 HB ILE 19 1.775 13.759 -0.736 134 1HG1 ILE 19 1HG1 ILE 19 0.249 11.376 0.507 135 2HG1 ILE 19 2HG1 ILE 19 0.333 13.005 1.143 136 1HG2 ILE 19 1HG2 ILE 19 0.765 12.382 -2.569 137 2HG2 ILE 19 2HG2 ILE 19 2.519 12.200 -2.564 138 3HG2 ILE 19 3HG2 ILE 19 1.499 10.906 -1.895 139 1HD1 ILE 19 1HD1 ILE 19 -1.111 12.243 -1.462 140 2HD1 ILE 19 2HD1 ILE 19 -1.838 12.720 0.086 141 3HD1 ILE 19 3HD1 ILE 19 -0.912 13.911 -0.859 142 H ALA 20 H ALA 20 4.449 14.078 -0.535 143 HA ALA 20 HA ALA 20 5.738 13.088 -2.867 144 1HB ALA 20 1HB ALA 20 7.523 14.801 -2.447 145 2HB ALA 20 2HB ALA 20 5.887 15.448 -2.221 146 3HB ALA 20 3HB ALA 20 6.895 15.064 -0.803 147 H GLU 21 H GLU 21 6.755 12.761 0.530 148 HA GLU 21 HA GLU 21 9.352 11.469 0.011 149 1HB GLU 21 1HB GLU 21 7.761 11.369 2.626 150 2HB GLU 21 2HB GLU 21 8.704 12.755 2.117 151 1HG GLU 21 1HG GLU 21 10.716 10.950 1.950 152 2HG GLU 21 2HG GLU 21 9.685 10.003 3.009 153 H PHE 22 H PHE 22 6.077 10.327 0.653 154 HA PHE 22 HA PHE 22 6.599 7.512 1.216 155 1HB PHE 22 1HB PHE 22 4.111 7.382 0.035 156 2HB PHE 22 2HB PHE 22 4.167 9.093 0.367 157 HD1 PHE 22 HD1 PHE 22 2.123 7.463 1.701 158 HD2 PHE 22 HD2 PHE 22 6.181 8.171 2.949 159 HE1 PHE 22 HE1 PHE 22 1.484 7.060 4.041 160 HE2 PHE 22 HE2 PHE 22 5.516 7.787 5.287 161 HZ PHE 22 HZ PHE 22 3.173 7.229 5.838 162 H LYS 23 H LYS 23 5.998 9.300 -1.792 163 HA LYS 23 HA LYS 23 5.763 7.106 -3.680 164 1HB LYS 23 1HB LYS 23 7.059 9.792 -4.400 165 2HB LYS 23 2HB LYS 23 6.211 8.696 -5.469 166 1HG LYS 23 1HG LYS 23 4.059 9.304 -4.606 167 2HG LYS 23 2HG LYS 23 4.716 9.952 -3.116 168 1HD LYS 23 1HD LYS 23 4.079 11.904 -4.327 169 2HD LYS 23 2HD LYS 23 5.820 11.817 -4.541 170 1HE LYS 23 1HE LYS 23 4.891 12.379 -6.706 171 2HE LYS 23 2HE LYS 23 5.484 10.722 -6.831 172 1HZ LYS 23 1HZ LYS 23 3.194 11.193 -7.754 173 2HZ LYS 23 2HZ LYS 23 3.277 9.896 -6.733 174 3HZ LYS 23 3HZ LYS 23 2.639 11.325 -6.203 175 H ALA 24 H ALA 24 8.551 8.732 -2.257 176 HA ALA 24 HA ALA 24 10.687 7.859 -3.995 177 1HB ALA 24 1HB ALA 24 12.220 8.346 -2.098 178 2HB ALA 24 2HB ALA 24 11.002 9.622 -2.282 179 3HB ALA 24 3HB ALA 24 10.847 8.428 -0.968 180 H ALA 25 H ALA 25 9.440 6.374 -0.991 181 HA ALA 25 HA ALA 25 11.303 4.081 -0.963 182 1HB ALA 25 1HB ALA 25 9.896 3.226 0.903 183 2HB ALA 25 2HB ALA 25 10.287 4.941 1.127 184 3HB ALA 25 3HB ALA 25 8.659 4.464 0.581 185 H PHE 26 H PHE 26 8.065 4.662 -2.220 186 HA PHE 26 HA PHE 26 7.228 1.878 -2.676 187 1HB PHE 26 1HB PHE 26 6.226 4.425 -4.084 188 2HB PHE 26 2HB PHE 26 5.658 3.866 -2.532 189 HD1 PHE 26 HD1 PHE 26 4.202 1.795 -2.395 190 HD2 PHE 26 HD2 PHE 26 5.597 3.251 -6.195 191 HE1 PHE 26 HE1 PHE 26 2.487 0.458 -3.549 192 HE2 PHE 26 HE2 PHE 26 3.879 1.902 -7.332 193 HZ PHE 26 HZ PHE 26 2.314 0.518 -6.014 194 H ASP 27 H ASP 27 9.008 4.292 -4.523 195 HA ASP 27 HA ASP 27 9.053 2.815 -7.113 196 1HB ASP 27 1HB ASP 27 9.391 5.437 -6.625 197 2HB ASP 27 2HB ASP 27 11.077 4.992 -6.490 198 H MET 28 H MET 28 10.942 2.862 -4.187 199 HA MET 28 HA MET 28 13.491 1.802 -5.060 200 1HB MET 28 1HB MET 28 12.482 0.682 -2.455 201 2HB MET 28 2HB MET 28 12.474 2.432 -2.578 202 1HG MET 28 1HG MET 28 14.922 0.586 -2.863 203 2HG MET 28 2HG MET 28 14.971 2.303 -3.294 204 1HE MET 28 1HE MET 28 15.456 4.031 -2.023 205 2HE MET 28 2HE MET 28 15.431 4.207 -0.243 206 3HE MET 28 3HE MET 28 16.746 3.285 -1.028 207 H PHE 29 H PHE 29 10.411 0.193 -4.363 208 HA PHE 29 HA PHE 29 11.567 -2.522 -5.236 209 1HB PHE 29 1HB PHE 29 9.654 -3.589 -3.995 210 2HB PHE 29 2HB PHE 29 9.083 -2.024 -3.489 211 HD1 PHE 29 HD1 PHE 29 9.288 -3.390 -1.204 212 HD2 PHE 29 HD2 PHE 29 12.673 -1.899 -3.406 213 HE1 PHE 29 HE1 PHE 29 10.676 -3.511 0.825 214 HE2 PHE 29 HE2 PHE 29 14.039 -2.014 -1.362 215 HZ PHE 29 HZ PHE 29 13.049 -2.823 0.750 216 H ASP 30 H ASP 30 10.745 -0.401 -6.984 217 HA ASP 30 HA ASP 30 8.263 -1.599 -8.330 218 1HB ASP 30 1HB ASP 30 9.033 1.324 -8.741 219 2HB ASP 30 2HB ASP 30 8.118 0.853 -7.328 220 H ALA 31 H ALA 31 9.886 -3.037 -9.246 221 HA ALA 31 HA ALA 31 12.047 -2.028 -11.043 222 1HB ALA 31 1HB ALA 31 12.454 -4.443 -11.532 223 2HB ALA 31 2HB ALA 31 12.353 -4.134 -9.788 224 3HB ALA 31 3HB ALA 31 10.987 -4.902 -10.637 225 H ASP 32 H ASP 32 9.538 -4.404 -11.861 226 HA ASP 32 HA ASP 32 8.800 -2.850 -14.386 227 1HB ASP 32 1HB ASP 32 8.675 -4.999 -15.695 228 2HB ASP 32 2HB ASP 32 10.292 -4.479 -15.279 229 H GLY 33 H GLY 33 7.334 -2.519 -12.244 230 1HA GLY 33 1HA GLY 33 4.961 -4.443 -12.272 231 2HA GLY 33 2HA GLY 33 5.251 -3.192 -11.059 232 H GLY 34 H GLY 34 4.870 -0.990 -11.575 233 1HA GLY 34 1HA GLY 34 4.034 0.647 -13.515 234 2HA GLY 34 2HA GLY 34 2.791 -0.578 -13.789 235 H GLY 35 H GLY 35 4.186 1.175 -11.003 236 1HA GLY 35 1HA GLY 35 3.121 2.472 -9.231 237 2HA GLY 35 2HA GLY 35 1.624 2.417 -10.168 238 H ASP 36 H ASP 36 3.411 -0.479 -9.335 239 HA ASP 36 HA ASP 36 1.577 -1.245 -7.049 240 1HB ASP 36 1HB ASP 36 0.782 -3.341 -8.078 241 2HB ASP 36 2HB ASP 36 0.197 -1.929 -8.927 242 H ILE 37 H ILE 37 2.239 -3.347 -6.134 243 HA ILE 37 HA ILE 37 5.022 -4.392 -6.744 244 HB ILE 37 HB ILE 37 5.732 -4.111 -4.305 245 1HG1 ILE 37 1HG1 ILE 37 4.157 -1.552 -4.040 246 2HG1 ILE 37 2HG1 ILE 37 3.194 -3.002 -3.854 247 1HG2 ILE 37 1HG2 ILE 37 6.795 -1.895 -4.751 248 2HG2 ILE 37 2HG2 ILE 37 6.789 -2.876 -6.223 249 3HG2 ILE 37 3HG2 ILE 37 5.617 -1.549 -6.041 250 1HD1 ILE 37 1HD1 ILE 37 5.648 -2.328 -2.130 251 2HD1 ILE 37 2HD1 ILE 37 3.937 -2.302 -1.648 252 3HD1 ILE 37 3HD1 ILE 37 4.723 -3.851 -2.033 253 H SER 38 H SER 38 5.442 -6.350 -5.544 254 HA SER 38 HA SER 38 3.202 -8.230 -5.295 255 1HB SER 38 1HB SER 38 5.955 -8.491 -5.445 256 2HB SER 38 2HB SER 38 5.672 -8.916 -3.755 257 HG SER 38 HG SER 38 5.393 -10.473 -5.706 258 H THR 39 H THR 39 2.167 -9.012 -3.514 259 HA THR 39 HA THR 39 1.598 -7.155 -1.288 260 HB THR 39 HB THR 39 -0.074 -8.784 -2.253 261 HG1 THR 39 HG1 THR 39 -0.126 -9.315 0.424 262 1HG2 THR 39 1HG2 THR 39 -0.297 -11.046 -1.324 263 2HG2 THR 39 2HG2 THR 39 1.269 -10.927 -2.160 264 3HG2 THR 39 3HG2 THR 39 1.200 -10.873 -0.379 265 H LYS 40 H LYS 40 3.973 -9.606 -1.796 266 HA LYS 40 HA LYS 40 4.450 -10.302 1.072 267 1HB LYS 40 1HB LYS 40 5.182 -11.407 -1.516 268 2HB LYS 40 2HB LYS 40 5.259 -12.152 0.067 269 1HG LYS 40 1HG LYS 40 7.491 -10.292 -0.918 270 2HG LYS 40 2HG LYS 40 7.563 -11.435 0.408 271 1HD LYS 40 1HD LYS 40 7.536 -12.067 -2.606 272 2HD LYS 40 2HD LYS 40 8.827 -12.340 -1.447 273 1HE LYS 40 1HE LYS 40 6.736 -13.851 -0.317 274 2HE LYS 40 2HE LYS 40 8.087 -14.494 -1.253 275 1HZ LYS 40 1HZ LYS 40 5.571 -14.877 -1.938 276 2HZ LYS 40 2HZ LYS 40 5.794 -13.470 -2.774 277 3HZ LYS 40 3HZ LYS 40 6.761 -14.775 -3.079 278 H GLU 41 H GLU 41 5.529 -7.879 -1.163 279 HA GLU 41 HA GLU 41 8.162 -7.352 0.186 280 1HB GLU 41 1HB GLU 41 6.799 -5.933 -2.165 281 2HB GLU 41 2HB GLU 41 8.371 -5.491 -1.527 282 1HG GLU 41 1HG GLU 41 7.682 -8.253 -2.728 283 2HG GLU 41 2HG GLU 41 9.259 -7.796 -2.107 284 H LEU 42 H LEU 42 5.001 -5.719 -0.151 285 HA LEU 42 HA LEU 42 5.330 -3.151 0.765 286 1HB LEU 42 1HB LEU 42 3.067 -4.274 2.259 287 2HB LEU 42 2HB LEU 42 3.100 -3.121 0.910 288 HG LEU 42 HG LEU 42 3.237 -6.145 0.397 289 1HD1 LEU 42 1HD1 LEU 42 0.734 -6.110 0.127 290 2HD1 LEU 42 2HD1 LEU 42 1.222 -5.804 1.800 291 3HD1 LEU 42 3HD1 LEU 42 0.682 -4.451 0.775 292 1HD2 LEU 42 1HD2 LEU 42 2.242 -3.751 -1.316 293 2HD2 LEU 42 2HD2 LEU 42 3.773 -4.630 -1.547 294 3HD2 LEU 42 3HD2 LEU 42 2.231 -5.461 -1.820 295 H GLY 43 H GLY 43 5.089 -5.984 2.946 296 1HA GLY 43 1HA GLY 43 5.613 -6.248 5.319 297 2HA GLY 43 2HA GLY 43 5.223 -4.533 5.468 298 H THR 44 H THR 44 7.804 -6.234 3.641 299 HA THR 44 HA THR 44 10.098 -5.672 5.148 300 HB THR 44 HB THR 44 9.737 -5.859 2.157 301 HG1 THR 44 HG1 THR 44 10.784 -7.684 2.474 302 1HG2 THR 44 1HG2 THR 44 12.206 -5.728 1.796 303 2HG2 THR 44 2HG2 THR 44 11.548 -4.157 2.299 304 3HG2 THR 44 3HG2 THR 44 12.436 -5.165 3.470 305 H VAL 45 H VAL 45 8.192 -3.522 3.115 306 HA VAL 45 HA VAL 45 10.048 -1.216 3.088 307 HB VAL 45 HB VAL 45 7.082 -0.869 2.550 308 1HG1 VAL 45 1HG1 VAL 45 7.890 0.702 0.788 309 2HG1 VAL 45 2HG1 VAL 45 8.556 1.151 2.362 310 3HG1 VAL 45 3HG1 VAL 45 9.585 0.313 1.179 311 1HG2 VAL 45 1HG2 VAL 45 9.020 -2.211 0.550 312 2HG2 VAL 45 2HG2 VAL 45 7.616 -2.988 1.318 313 3HG2 VAL 45 3HG2 VAL 45 7.367 -1.647 0.190 314 H MET 46 H MET 46 7.186 -2.175 4.972 315 HA MET 46 HA MET 46 6.856 0.167 6.655 316 1HB MET 46 1HB MET 46 6.163 -2.775 7.080 317 2HB MET 46 2HB MET 46 5.992 -1.639 8.406 318 1HG MET 46 1HG MET 46 4.569 -0.186 6.649 319 2HG MET 46 2HG MET 46 4.443 -1.722 5.777 320 1HE MET 46 1HE MET 46 3.558 0.522 8.466 321 2HE MET 46 2HE MET 46 2.053 -0.179 9.131 322 3HE MET 46 3HE MET 46 3.618 -0.513 9.927 323 NH1 ARG 47 NH1 ARG 47 11.673 -7.756 9.983 324 NH2 ARG 47 NH2 ARG 47 13.427 -8.086 11.390 325 H ARG 47 H ARG 47 9.130 -2.517 6.764 326 HA ARG 47 HA ARG 47 10.162 -2.035 9.521 327 1HB ARG 47 1HB ARG 47 10.246 -4.225 7.879 328 2HB ARG 47 2HB ARG 47 11.826 -3.551 7.508 329 1HG ARG 47 1HG ARG 47 10.839 -4.729 10.113 330 2HG ARG 47 2HG ARG 47 11.978 -3.388 10.245 331 1HD ARG 47 1HD ARG 47 13.702 -4.560 8.973 332 2HD ARG 47 2HD ARG 47 12.572 -5.788 8.405 333 HE ARG 47 HE ARG 47 13.692 -5.622 11.229 334 1HH1 ARG 47 1HH1 ARG 47 11.456 -8.745 10.148 335 2HH1 ARG 47 2HH1 ARG 47 11.155 -7.105 9.382 336 1HH2 ARG 47 1HH2 ARG 47 14.212 -7.675 11.906 337 2HH2 ARG 47 2HH2 ARG 47 13.123 -9.066 11.410 338 H MET 48 H MET 48 11.365 -1.446 6.213 339 HA MET 48 HA MET 48 13.891 -0.145 7.097 340 1HB MET 48 1HB MET 48 14.423 0.211 4.774 341 2HB MET 48 2HB MET 48 12.744 0.110 4.271 342 1HG MET 48 1HG MET 48 12.935 -2.133 3.897 343 2HG MET 48 2HG MET 48 13.437 -2.421 5.571 344 1HE MET 48 1HE MET 48 15.814 -1.292 6.354 345 2HE MET 48 2HE MET 48 17.311 -1.669 5.451 346 3HE MET 48 3HE MET 48 16.403 -0.174 5.084 347 H LEU 49 H LEU 49 10.756 0.955 7.208 348 HA LEU 49 HA LEU 49 11.386 3.880 6.682 349 1HB LEU 49 1HB LEU 49 8.826 2.350 7.346 350 2HB LEU 49 2HB LEU 49 8.902 4.074 7.640 351 HG LEU 49 HG LEU 49 8.930 2.579 4.988 352 1HD1 LEU 49 1HD1 LEU 49 7.236 4.308 4.361 353 2HD1 LEU 49 2HD1 LEU 49 6.768 3.489 5.862 354 3HD1 LEU 49 3HD1 LEU 49 7.457 5.130 5.926 355 1HD2 LEU 49 1HD2 LEU 49 10.059 5.441 5.307 356 2HD2 LEU 49 2HD2 LEU 49 10.973 4.004 4.786 357 3HD2 LEU 49 3HD2 LEU 49 9.680 4.642 3.760 358 H GLY 50 H GLY 50 10.801 1.555 9.269 359 1HA GLY 50 1HA GLY 50 12.501 2.131 11.289 360 2HA GLY 50 2HA GLY 50 11.567 3.628 11.386 361 H GLN 51 H GLN 51 10.668 0.207 10.911 362 HA GLN 51 HA GLN 51 8.992 0.225 13.469 363 1HB GLN 51 1HB GLN 51 7.891 -0.666 10.736 364 2HB GLN 51 2HB GLN 51 7.120 -0.967 12.283 365 1HG GLN 51 1HG GLN 51 7.755 1.928 11.812 366 2HG GLN 51 2HG GLN 51 6.652 1.247 10.635 367 1HE2 GLN 51 1HE2 GLN 51 4.243 2.296 13.170 368 2HE2 GLN 51 2HE2 GLN 51 5.110 2.777 11.625 369 H ASN 52 H ASN 52 8.075 -2.188 13.598 370 HA ASN 52 HA ASN 52 10.255 -4.177 12.904 371 1HB ASN 52 1HB ASN 52 9.489 -3.309 15.712 372 2HB ASN 52 2HB ASN 52 9.998 -4.966 15.467 373 1HD2 ASN 52 1HD2 ASN 52 12.717 -1.825 15.206 374 2HD2 ASN 52 2HD2 ASN 52 10.905 -1.546 15.269 375 HA PRO 53 HA PRO 53 5.664 -5.845 13.014 376 1HB PRO 53 1HB PRO 53 5.161 -6.296 10.345 377 2HB PRO 53 2HB PRO 53 4.966 -4.722 11.132 378 1HG PRO 53 1HG PRO 53 7.337 -5.681 9.456 379 2HG PRO 53 2HG PRO 53 6.469 -4.133 9.337 380 1HD PRO 53 1HD PRO 53 8.856 -4.432 10.749 381 2HD PRO 53 2HD PRO 53 7.618 -3.232 11.230 382 H THR 54 H THR 54 5.046 -7.976 11.398 383 HA THR 54 HA THR 54 7.308 -9.998 11.643 384 HB THR 54 HB THR 54 4.555 -10.587 12.833 385 HG1 THR 54 HG1 THR 54 5.289 -9.416 14.350 386 1HG2 THR 54 1HG2 THR 54 5.634 -12.562 13.860 387 2HG2 THR 54 2HG2 THR 54 5.792 -12.645 12.091 388 3HG2 THR 54 3HG2 THR 54 7.189 -12.169 13.089 389 H LYS 55 H LYS 55 6.902 -11.946 10.444 390 HA LYS 55 HA LYS 55 5.703 -11.468 7.773 391 1HB LYS 55 1HB LYS 55 6.246 -14.054 7.524 392 2HB LYS 55 2HB LYS 55 7.530 -12.864 7.517 393 1HG LYS 55 1HG LYS 55 6.705 -14.343 10.080 394 2HG LYS 55 2HG LYS 55 8.159 -13.397 9.827 395 1HD LYS 55 1HD LYS 55 7.703 -15.849 8.049 396 2HD LYS 55 2HD LYS 55 9.207 -15.066 8.508 397 1HE LYS 55 1HE LYS 55 8.462 -15.854 11.010 398 2HE LYS 55 2HE LYS 55 7.578 -17.081 10.101 399 1HZ LYS 55 1HZ LYS 55 9.525 -18.019 9.362 400 2HZ LYS 55 2HZ LYS 55 10.391 -16.612 9.373 401 3HZ LYS 55 3HZ LYS 55 10.083 -17.403 10.790 402 H GLU 56 H GLU 56 4.821 -13.225 10.700 403 HA GLU 56 HA GLU 56 2.503 -14.709 9.775 404 1HB GLU 56 1HB GLU 56 2.873 -15.477 11.848 405 2HB GLU 56 2HB GLU 56 3.666 -14.008 12.380 406 1HG GLU 56 1HG GLU 56 1.685 -13.074 13.272 407 2HG GLU 56 2HG GLU 56 0.633 -13.914 12.145 408 H GLU 57 H GLU 57 2.934 -11.359 10.801 409 HA GLU 57 HA GLU 57 0.044 -10.650 10.932 410 1HB GLU 57 1HB GLU 57 2.400 -8.703 10.749 411 2HB GLU 57 2HB GLU 57 0.763 -8.334 11.253 412 1HG GLU 57 1HG GLU 57 2.373 -10.414 12.829 413 2HG GLU 57 2HG GLU 57 2.721 -8.707 13.045 414 H LEU 58 H LEU 58 2.635 -10.523 8.548 415 HA LEU 58 HA LEU 58 1.353 -8.897 6.484 416 1HB LEU 58 1HB LEU 58 3.658 -10.842 6.562 417 2HB LEU 58 2HB LEU 58 2.921 -10.613 4.991 418 HG LEU 58 HG LEU 58 4.722 -9.063 5.042 419 1HD1 LEU 58 1HD1 LEU 58 3.842 -7.969 7.788 420 2HD1 LEU 58 2HD1 LEU 58 5.097 -9.200 7.584 421 3HD1 LEU 58 3HD1 LEU 58 5.333 -7.576 6.895 422 1HD2 LEU 58 1HD2 LEU 58 3.713 -6.813 4.879 423 2HD2 LEU 58 2HD2 LEU 58 2.539 -7.996 4.250 424 3HD2 LEU 58 3HD2 LEU 58 2.319 -7.312 5.871 425 H ASP 59 H ASP 59 1.197 -12.309 7.345 426 HA ASP 59 HA ASP 59 -0.319 -13.306 5.046 427 1HB ASP 59 1HB ASP 59 0.115 -14.416 7.854 428 2HB ASP 59 2HB ASP 59 -1.063 -15.158 6.798 429 H ALA 60 H ALA 60 -1.246 -11.884 8.152 430 HA ALA 60 HA ALA 60 -4.143 -12.372 8.063 431 1HB ALA 60 1HB ALA 60 -4.294 -10.610 9.816 432 2HB ALA 60 2HB ALA 60 -2.990 -11.761 10.167 433 3HB ALA 60 3HB ALA 60 -2.600 -10.140 9.536 434 H ILE 61 H ILE 61 -2.132 -9.560 7.135 435 HA ILE 61 HA ILE 61 -4.073 -7.718 6.229 436 HB ILE 61 HB ILE 61 -1.238 -8.175 5.220 437 1HG1 ILE 61 1HG1 ILE 61 -2.527 -5.953 6.938 438 2HG1 ILE 61 2HG1 ILE 61 -1.413 -7.183 7.494 439 1HG2 ILE 61 1HG2 ILE 61 -1.383 -6.058 3.881 440 2HG2 ILE 61 2HG2 ILE 61 -2.507 -7.265 3.260 441 3HG2 ILE 61 3HG2 ILE 61 -3.120 -5.922 4.251 442 1HD1 ILE 61 1HD1 ILE 61 -0.649 -4.910 5.569 443 2HD1 ILE 61 2HD1 ILE 61 -0.185 -5.096 7.273 444 3HD1 ILE 61 3HD1 ILE 61 0.437 -6.239 6.060 445 H ILE 62 H ILE 62 -2.780 -10.615 4.701 446 HA ILE 62 HA ILE 62 -3.901 -10.204 1.989 447 HB ILE 62 HB ILE 62 -2.848 -12.747 3.326 448 1HG1 ILE 62 1HG1 ILE 62 -1.537 -10.557 1.681 449 2HG1 ILE 62 2HG1 ILE 62 -0.895 -11.486 3.018 450 1HG2 ILE 62 1HG2 ILE 62 -2.837 -13.804 1.052 451 2HG2 ILE 62 2HG2 ILE 62 -4.481 -13.376 1.521 452 3HG2 ILE 62 3HG2 ILE 62 -3.607 -12.357 0.354 453 1HD1 ILE 62 1HD1 ILE 62 -1.138 -12.545 0.141 454 2HD1 ILE 62 2HD1 ILE 62 0.341 -12.096 1.016 455 3HD1 ILE 62 3HD1 ILE 62 -0.598 -13.513 1.541 456 H GLU 63 H GLU 63 -4.905 -11.960 4.907 457 HA GLU 63 HA GLU 63 -7.268 -13.277 3.800 458 1HB GLU 63 1HB GLU 63 -6.163 -14.029 5.881 459 2HB GLU 63 2HB GLU 63 -6.662 -12.574 6.720 460 1HG GLU 63 1HG GLU 63 -8.812 -14.375 5.485 461 2HG GLU 63 2HG GLU 63 -8.963 -13.248 6.822 462 H GLU 64 H GLU 64 -6.706 -10.049 5.040 463 HA GLU 64 HA GLU 64 -9.611 -9.384 5.413 464 1HB GLU 64 1HB GLU 64 -7.908 -8.523 6.994 465 2HB GLU 64 2HB GLU 64 -7.121 -7.623 5.713 466 1HG GLU 64 1HG GLU 64 -9.571 -6.473 5.452 467 2HG GLU 64 2HG GLU 64 -9.781 -7.052 7.096 468 H VAL 65 H VAL 65 -7.010 -8.721 3.113 469 HA VAL 65 HA VAL 65 -8.670 -6.745 1.532 470 HB VAL 65 HB VAL 65 -5.887 -6.981 1.986 471 1HG1 VAL 65 1HG1 VAL 65 -7.231 -5.112 -0.070 472 2HG1 VAL 65 2HG1 VAL 65 -7.321 -4.870 1.684 473 3HG1 VAL 65 3HG1 VAL 65 -5.743 -4.815 0.862 474 1HG2 VAL 65 1HG2 VAL 65 -4.776 -7.129 -0.184 475 2HG2 VAL 65 2HG2 VAL 65 -5.787 -8.587 -0.041 476 3HG2 VAL 65 3HG2 VAL 65 -6.322 -7.242 -1.060 477 H ASP 66 H ASP 66 -6.668 -9.597 0.654 478 HA ASP 66 HA ASP 66 -8.546 -10.281 -1.616 479 1HB ASP 66 1HB ASP 66 -5.877 -10.298 -1.685 480 2HB ASP 66 2HB ASP 66 -6.042 -11.895 -0.994 481 H GLU 67 H GLU 67 -9.912 -10.545 0.577 482 HA GLU 67 HA GLU 67 -9.956 -13.148 1.940 483 1HB GLU 67 1HB GLU 67 -12.514 -12.626 2.197 484 2HB GLU 67 2HB GLU 67 -11.313 -11.698 3.073 485 1HG GLU 67 1HG GLU 67 -11.500 -9.832 1.364 486 2HG GLU 67 2HG GLU 67 -12.681 -10.771 0.465 487 H ASP 68 H ASP 68 -11.208 -11.958 -1.131 488 HA ASP 68 HA ASP 68 -11.357 -14.765 -2.234 489 1HB ASP 68 1HB ASP 68 -13.872 -13.022 -2.034 490 2HB ASP 68 2HB ASP 68 -13.710 -14.303 -3.212 491 H GLY 69 H GLY 69 -10.751 -14.801 -4.290 492 1HA GLY 69 1HA GLY 69 -10.711 -13.848 -6.647 493 2HA GLY 69 2HA GLY 69 -10.711 -12.229 -5.941 494 H SER 70 H SER 70 -8.893 -11.629 -7.072 495 HA SER 70 HA SER 70 -6.218 -12.220 -5.858 496 1HB SER 70 1HB SER 70 -6.761 -14.221 -7.430 497 2HB SER 70 2HB SER 70 -5.176 -13.455 -7.556 498 HG SER 70 HG SER 70 -6.438 -13.871 -9.530 499 H GLY 71 H GLY 71 -4.595 -10.826 -6.652 500 1HA GLY 71 1HA GLY 71 -4.527 -8.998 -8.840 501 2HA GLY 71 2HA GLY 71 -5.568 -8.178 -7.671 502 H THR 72 H THR 72 -3.511 -6.783 -8.148 503 HA THR 72 HA THR 72 -1.349 -7.363 -6.079 504 HB THR 72 HB THR 72 0.280 -6.207 -7.294 505 HG1 THR 72 HG1 THR 72 -0.118 -4.835 -8.894 506 1HG2 THR 72 1HG2 THR 72 0.314 -8.169 -8.560 507 2HG2 THR 72 2HG2 THR 72 -1.354 -7.984 -9.145 508 3HG2 THR 72 3HG2 THR 72 -0.045 -7.000 -9.850 509 H ILE 73 H ILE 73 -0.335 -5.224 -5.266 510 HA ILE 73 HA ILE 73 -2.612 -3.580 -4.140 511 HB ILE 73 HB ILE 73 -0.958 -4.777 -2.596 512 1HG1 ILE 73 1HG1 ILE 73 -1.240 -1.826 -1.865 513 2HG1 ILE 73 2HG1 ILE 73 -2.670 -2.809 -2.123 514 1HG2 ILE 73 1HG2 ILE 73 1.137 -3.669 -1.912 515 2HG2 ILE 73 2HG2 ILE 73 1.224 -4.040 -3.640 516 3HG2 ILE 73 3HG2 ILE 73 0.908 -2.371 -3.107 517 1HD1 ILE 73 1HD1 ILE 73 -1.987 -2.688 0.318 518 2HD1 ILE 73 2HD1 ILE 73 -2.100 -4.348 -0.304 519 3HD1 ILE 73 3HD1 ILE 73 -0.502 -3.595 -0.081 520 H ASP 74 H ASP 74 -2.190 -1.230 -3.840 521 HA ASP 74 HA ASP 74 -0.672 -0.009 -6.204 522 1HB ASP 74 1HB ASP 74 -2.925 1.647 -5.752 523 2HB ASP 74 2HB ASP 74 -3.507 -0.035 -5.920 524 H PHE 75 H PHE 75 -0.773 2.527 -5.809 525 HA PHE 75 HA PHE 75 0.757 3.056 -3.324 526 1HB PHE 75 1HB PHE 75 1.292 4.123 -5.541 527 2HB PHE 75 2HB PHE 75 -0.199 5.027 -5.489 528 HD1 PHE 75 HD1 PHE 75 1.935 4.418 -2.437 529 HD2 PHE 75 HD2 PHE 75 0.876 7.238 -5.511 530 HE1 PHE 75 HE1 PHE 75 2.919 6.245 -1.115 531 HE2 PHE 75 HE2 PHE 75 1.850 9.055 -4.162 532 HZ PHE 75 HZ PHE 75 2.892 8.560 -1.979 533 H GLU 76 H GLU 76 -2.505 3.645 -4.514 534 HA GLU 76 HA GLU 76 -3.450 5.485 -2.433 535 1HB GLU 76 1HB GLU 76 -5.793 4.583 -3.137 536 2HB GLU 76 2HB GLU 76 -4.949 3.634 -4.344 537 1HG GLU 76 1HG GLU 76 -3.885 5.979 -5.093 538 2HG GLU 76 2HG GLU 76 -5.496 5.513 -5.611 539 H GLU 77 H GLU 77 -3.843 1.963 -2.863 540 HA GLU 77 HA GLU 77 -5.149 1.386 -0.286 541 1HB GLU 77 1HB GLU 77 -3.678 -0.395 -2.275 542 2HB GLU 77 2HB GLU 77 -4.210 -1.023 -0.728 543 1HG GLU 77 1HG GLU 77 -6.253 0.414 -2.498 544 2HG GLU 77 2HG GLU 77 -5.740 -1.206 -2.939 545 H PHE 78 H PHE 78 -1.814 1.686 -1.370 546 HA PHE 78 HA PHE 78 -0.369 0.538 0.848 547 1HB PHE 78 1HB PHE 78 0.866 1.085 -1.133 548 2HB PHE 78 2HB PHE 78 0.370 2.757 -1.125 549 HD1 PHE 78 HD1 PHE 78 2.671 0.259 0.414 550 HD2 PHE 78 HD2 PHE 78 1.475 4.391 0.473 551 HE1 PHE 78 HE1 PHE 78 4.805 0.872 1.476 552 HE2 PHE 78 HE2 PHE 78 3.616 4.986 1.529 553 HZ PHE 78 HZ PHE 78 5.255 3.224 2.090 554 H LEU 79 H LEU 79 -1.749 3.775 0.378 555 HA LEU 79 HA LEU 79 -0.760 5.016 2.874 556 1HB LEU 79 1HB LEU 79 -2.127 6.882 2.376 557 2HB LEU 79 2HB LEU 79 -3.346 5.929 1.557 558 HG LEU 79 HG LEU 79 -2.127 5.823 -0.485 559 1HD1 LEU 79 1HD1 LEU 79 -1.486 8.177 -1.023 560 2HD1 LEU 79 2HD1 LEU 79 -2.967 8.141 -0.047 561 3HD1 LEU 79 3HD1 LEU 79 -1.418 8.584 0.711 562 1HD2 LEU 79 1HD2 LEU 79 0.446 6.664 1.012 563 2HD2 LEU 79 2HD2 LEU 79 0.089 5.044 0.364 564 3HD2 LEU 79 3HD2 LEU 79 0.306 6.406 -0.745 565 H VAL 80 H VAL 80 -3.568 3.101 1.953 566 HA VAL 80 HA VAL 80 -5.256 3.604 4.293 567 HB VAL 80 HB VAL 80 -5.303 1.548 2.086 568 1HG1 VAL 80 1HG1 VAL 80 -7.249 0.344 3.099 569 2HG1 VAL 80 2HG1 VAL 80 -5.792 0.111 4.074 570 3HG1 VAL 80 3HG1 VAL 80 -7.043 1.250 4.620 571 1HG2 VAL 80 1HG2 VAL 80 -7.503 3.422 3.180 572 2HG2 VAL 80 2HG2 VAL 80 -6.493 3.750 1.753 573 3HG2 VAL 80 3HG2 VAL 80 -7.620 2.386 1.737 574 H MET 81 H MET 81 -2.685 1.310 3.552 575 HA MET 81 HA MET 81 -3.067 -0.455 5.911 576 1HB MET 81 1HB MET 81 -1.924 -1.030 3.612 577 2HB MET 81 2HB MET 81 -1.353 -1.771 5.096 578 1HG MET 81 1HG MET 81 0.281 0.546 4.900 579 2HG MET 81 2HG MET 81 0.092 0.021 3.219 580 1HE MET 81 1HE MET 81 1.985 -0.810 2.409 581 2HE MET 81 2HE MET 81 3.212 -0.627 3.698 582 3HE MET 81 3HE MET 81 2.937 -2.228 2.952 583 H MET 82 H MET 82 -1.122 2.372 5.118 584 HA MET 82 HA MET 82 0.779 2.228 7.367 585 1HB MET 82 1HB MET 82 1.469 4.502 6.773 586 2HB MET 82 2HB MET 82 0.004 4.779 5.849 587 1HG MET 82 1HG MET 82 1.221 2.441 4.660 588 2HG MET 82 2HG MET 82 1.067 4.065 3.971 589 1HE MET 82 1HE MET 82 4.023 1.495 5.406 590 2HE MET 82 2HE MET 82 4.518 2.623 6.703 591 3HE MET 82 3HE MET 82 2.839 2.011 6.648 592 H VAL 83 H VAL 83 -2.233 4.052 6.803 593 HA VAL 83 HA VAL 83 -2.346 5.422 9.397 594 HB VAL 83 HB VAL 83 -4.391 4.938 7.216 595 1HG1 VAL 83 1HG1 VAL 83 -3.479 7.581 8.514 596 2HG1 VAL 83 2HG1 VAL 83 -2.676 6.864 7.110 597 3HG1 VAL 83 3HG1 VAL 83 -4.379 7.364 6.990 598 1HG2 VAL 83 1HG2 VAL 83 -6.200 6.046 8.423 599 2HG2 VAL 83 2HG2 VAL 83 -5.664 4.700 9.454 600 3HG2 VAL 83 3HG2 VAL 83 -5.169 6.354 9.845 601 NH1 ARG 84 NH1 ARG 84 -8.544 -1.423 8.927 602 NH2 ARG 84 NH2 ARG 84 -8.949 -0.887 6.757 603 H ARG 84 H ARG 84 -3.444 2.296 8.183 604 HA ARG 84 HA ARG 84 -5.122 1.301 10.303 605 1HB ARG 84 1HB ARG 84 -3.086 -0.571 9.018 606 2HB ARG 84 2HB ARG 84 -4.298 0.201 8.005 607 1HG ARG 84 1HG ARG 84 -4.677 -1.913 10.127 608 2HG ARG 84 2HG ARG 84 -5.962 -0.710 10.005 609 1HD ARG 84 1HD ARG 84 -4.915 -2.192 7.514 610 2HD ARG 84 2HD ARG 84 -6.182 -2.877 8.530 611 HE ARG 84 HE ARG 84 -6.460 -0.415 6.790 612 1HH1 ARG 84 1HH1 ARG 84 -9.940 -1.004 6.996 613 2HH1 ARG 84 2HH1 ARG 84 -8.565 -0.593 5.853 614 1HH2 ARG 84 1HH2 ARG 84 -7.860 -1.721 9.632 615 2HH2 ARG 84 2HH2 ARG 84 -9.556 -1.310 9.061 616 H GLN 85 H GLN 85 -1.566 0.992 9.963 617 HA GLN 85 HA GLN 85 -1.163 -0.364 12.577 618 1HB GLN 85 1HB GLN 85 1.349 0.686 11.861 619 2HB GLN 85 2HB GLN 85 0.548 0.521 10.308 620 1HG GLN 85 1HG GLN 85 1.876 -1.500 10.869 621 2HG GLN 85 2HG GLN 85 0.977 -1.743 12.352 622 1HE2 GLN 85 1HE2 GLN 85 -1.681 -3.500 10.700 623 2HE2 GLN 85 2HE2 GLN 85 -1.078 -2.718 12.247 624 H MET 86 H MET 86 -1.085 2.946 11.392 625 HA MET 86 HA MET 86 0.452 4.315 13.417 626 1HB MET 86 1HB MET 86 -1.890 5.906 12.508 627 2HB MET 86 2HB MET 86 -1.064 5.116 11.178 628 1HG MET 86 1HG MET 86 0.826 6.454 11.345 629 2HG MET 86 2HG MET 86 0.788 6.494 13.115 630 1HE MET 86 1HE MET 86 0.991 9.142 10.626 631 2HE MET 86 2HE MET 86 0.532 10.304 11.906 632 3HE MET 86 3HE MET 86 1.669 8.975 12.277 633 H LYS 87 H LYS 87 -3.051 3.643 13.273 634 HA LYS 87 HA LYS 87 -3.757 4.795 15.908 635 1HB LYS 87 1HB LYS 87 -5.538 4.544 14.288 636 2HB LYS 87 2HB LYS 87 -5.227 2.836 14.058 637 1HG LYS 87 1HG LYS 87 -6.108 2.294 16.290 638 2HG LYS 87 2HG LYS 87 -7.283 3.220 15.378 639 1HD LYS 87 1HD LYS 87 -5.585 5.017 17.037 640 2HD LYS 87 2HD LYS 87 -7.333 4.913 16.897 641 1HE LYS 87 1HE LYS 87 -5.930 2.715 18.472 642 2HE LYS 87 2HE LYS 87 -6.088 4.304 19.224 643 1HZ LYS 87 1HZ LYS 87 -8.537 3.327 18.007 644 2HZ LYS 87 2HZ LYS 87 -7.984 2.387 19.248 645 3HZ LYS 87 3HZ LYS 87 -8.293 3.990 19.501 646 H GLU 88 H GLU 88 -3.031 1.513 14.715 647 HA GLU 88 HA GLU 88 -3.385 0.063 17.257 648 1HB GLU 88 1HB GLU 88 -2.669 -0.623 14.548 649 2HB GLU 88 2HB GLU 88 -1.417 -1.270 15.589 650 1HG GLU 88 1HG GLU 88 -4.410 -1.792 16.113 651 2HG GLU 88 2HG GLU 88 -3.452 -2.800 15.043 652 H ASP 89 H ASP 89 -1.694 -0.823 18.562 653 HA ASP 89 HA ASP 89 1.140 -0.132 18.449 654 1HB ASP 89 1HB ASP 89 0.814 2.137 18.909 655 2HB ASP 89 2HB ASP 89 -0.578 1.870 19.933 656 H ALA 90 H ALA 90 2.242 -0.702 20.487 657 HA ALA 90 HA ALA 90 0.912 -2.118 22.708 658 1HB ALA 90 1HB ALA 90 0.384 -3.983 21.310 659 2HB ALA 90 2HB ALA 90 1.880 -3.849 20.365 660 3HB ALA 90 3HB ALA 90 1.936 -4.484 22.028 Start of MODEL 18 Raw file had 660 H/Q atoms Start of MODEL 18 1 1H ALA 1 1H ALA 1 -22.348 0.084 2.435 2 2H ALA 1 2H ALA 1 -23.155 1.515 2.800 3 3H ALA 1 3H ALA 1 -23.432 0.744 1.331 4 HA ALA 1 HA ALA 1 -22.008 2.157 0.479 5 1HB ALA 1 1HB ALA 1 -20.166 3.137 2.291 6 2HB ALA 1 2HB ALA 1 -21.769 3.852 2.035 7 3HB ALA 1 3HB ALA 1 -21.499 2.738 3.400 8 H SER 2 H SER 2 -20.434 0.295 3.104 9 HA SER 2 HA SER 2 -18.581 -1.240 3.140 10 1HB SER 2 1HB SER 2 -20.291 -2.176 1.284 11 2HB SER 2 2HB SER 2 -18.947 -1.831 0.193 12 HG SER 2 HG SER 2 -19.119 -3.936 1.397 13 H MET 3 H MET 3 -17.330 0.797 3.387 14 HA MET 3 HA MET 3 -15.436 2.212 2.927 15 1HB MET 3 1HB MET 3 -14.550 0.103 0.889 16 2HB MET 3 2HB MET 3 -13.556 1.249 1.769 17 1HG MET 3 1HG MET 3 -13.502 -0.043 3.721 18 2HG MET 3 2HG MET 3 -15.132 -0.694 3.481 19 1HE MET 3 1HE MET 3 -14.723 -2.757 4.153 20 2HE MET 3 2HE MET 3 -14.859 -3.867 2.757 21 3HE MET 3 3HE MET 3 -13.356 -3.834 3.725 22 H THR 4 H THR 4 -17.081 3.624 2.020 23 HA THR 4 HA THR 4 -17.798 3.724 -0.836 24 HB THR 4 HB THR 4 -19.343 4.802 0.535 25 HG1 THR 4 HG1 THR 4 -18.884 5.952 -1.324 26 1HG2 THR 4 1HG2 THR 4 -18.955 6.677 2.090 27 2HG2 THR 4 2HG2 THR 4 -17.992 5.278 2.616 28 3HG2 THR 4 3HG2 THR 4 -17.204 6.648 1.791 29 H ASP 5 H ASP 5 -15.200 5.053 1.130 30 HA ASP 5 HA ASP 5 -13.334 5.437 -1.068 31 1HB ASP 5 1HB ASP 5 -13.165 7.923 -1.211 32 2HB ASP 5 2HB ASP 5 -14.642 7.277 -1.890 33 H GLN 6 H GLN 6 -12.890 4.153 1.072 34 HA GLN 6 HA GLN 6 -11.781 5.533 3.442 35 1HB GLN 6 1HB GLN 6 -12.098 2.801 2.592 36 2HB GLN 6 2HB GLN 6 -10.379 3.030 2.857 37 1HG GLN 6 1HG GLN 6 -10.580 3.267 5.146 38 2HG GLN 6 2HG GLN 6 -12.089 4.152 5.060 39 1HE2 GLN 6 1HE2 GLN 6 -14.109 1.204 5.519 40 2HE2 GLN 6 2HE2 GLN 6 -14.075 2.965 5.005 41 H GLN 7 H GLN 7 -10.539 4.551 0.283 42 HA GLN 7 HA GLN 7 -7.708 4.878 0.526 43 1HB GLN 7 1HB GLN 7 -9.508 5.568 -1.867 44 2HB GLN 7 2HB GLN 7 -7.757 5.670 -1.926 45 1HG GLN 7 1HG GLN 7 -7.464 3.406 -2.103 46 2HG GLN 7 2HG GLN 7 -8.668 3.026 -0.889 47 1HE2 GLN 7 1HE2 GLN 7 -11.389 2.909 -3.399 48 2HE2 GLN 7 2HE2 GLN 7 -11.038 3.445 -1.680 49 H ALA 8 H ALA 8 -10.173 7.372 -0.183 50 HA ALA 8 HA ALA 8 -8.308 9.640 -0.452 51 1HB ALA 8 1HB ALA 8 -10.602 10.957 -0.039 52 2HB ALA 8 2HB ALA 8 -10.311 10.074 -1.551 53 3HB ALA 8 3HB ALA 8 -11.333 9.353 -0.282 54 H GLU 9 H GLU 9 -10.085 8.178 2.212 55 HA GLU 9 HA GLU 9 -9.924 10.361 4.172 56 1HB GLU 9 1HB GLU 9 -11.455 8.240 4.190 57 2HB GLU 9 2HB GLU 9 -10.109 7.418 4.955 58 1HG GLU 9 1HG GLU 9 -11.934 8.390 6.517 59 2HG GLU 9 2HG GLU 9 -10.267 8.712 6.961 60 H ALA 10 H ALA 10 -7.807 7.696 3.256 61 HA ALA 10 HA ALA 10 -5.944 7.692 5.491 62 1HB ALA 10 1HB ALA 10 -4.395 6.474 3.970 63 2HB ALA 10 2HB ALA 10 -6.046 5.836 3.855 64 3HB ALA 10 3HB ALA 10 -5.405 6.882 2.563 65 NH1 ARG 11 NH1 ARG 11 -6.478 12.005 -3.075 66 NH2 ARG 11 NH2 ARG 11 -5.445 9.999 -2.805 67 H ARG 11 H ARG 11 -6.008 9.518 2.447 68 HA ARG 11 HA ARG 11 -3.331 10.834 2.775 69 1HB ARG 11 1HB ARG 11 -3.863 10.656 0.508 70 2HB ARG 11 2HB ARG 11 -5.576 10.957 0.759 71 1HG ARG 11 1HG ARG 11 -4.974 13.418 1.331 72 2HG ARG 11 2HG ARG 11 -3.343 13.069 0.754 73 1HD ARG 11 1HD ARG 11 -4.319 13.899 -1.221 74 2HD ARG 11 2HD ARG 11 -5.925 13.282 -0.837 75 HE ARG 11 HE ARG 11 -3.693 11.368 -1.688 76 1HH1 ARG 11 1HH1 ARG 11 -7.097 11.509 -3.726 77 2HH1 ARG 11 2HH1 ARG 11 -6.520 12.999 -2.823 78 1HH2 ARG 11 1HH2 ARG 11 -4.736 9.450 -2.308 79 2HH2 ARG 11 2HH2 ARG 11 -6.100 9.657 -3.517 80 H ALA 12 H ALA 12 -6.728 11.573 3.385 81 HA ALA 12 HA ALA 12 -6.652 14.368 4.097 82 1HB ALA 12 1HB ALA 12 -8.661 13.941 5.497 83 2HB ALA 12 2HB ALA 12 -8.777 13.104 3.937 84 3HB ALA 12 3HB ALA 12 -8.388 12.184 5.412 85 H PHE 13 H PHE 13 -5.535 11.527 5.839 86 HA PHE 13 HA PHE 13 -5.056 13.066 8.407 87 1HB PHE 13 1HB PHE 13 -4.613 10.065 7.911 88 2HB PHE 13 2HB PHE 13 -6.168 10.732 8.333 89 HD1 PHE 13 HD1 PHE 13 -3.376 9.130 9.686 90 HD2 PHE 13 HD2 PHE 13 -5.923 12.493 10.546 91 HE1 PHE 13 HE1 PHE 13 -2.863 8.921 12.085 92 HE2 PHE 13 HE2 PHE 13 -5.386 12.276 12.936 93 HZ PHE 13 HZ PHE 13 -3.855 10.498 13.710 94 H LEU 14 H LEU 14 -3.537 13.646 6.017 95 HA LEU 14 HA LEU 14 -0.814 13.731 7.199 96 1HB LEU 14 1HB LEU 14 -0.126 12.648 4.662 97 2HB LEU 14 2HB LEU 14 0.196 11.976 6.246 98 HG LEU 14 HG LEU 14 -2.559 11.381 5.153 99 1HD1 LEU 14 1HD1 LEU 14 -0.434 9.532 6.415 100 2HD1 LEU 14 2HD1 LEU 14 -1.656 10.423 7.341 101 3HD1 LEU 14 3HD1 LEU 14 -2.164 9.171 6.179 102 1HD2 LEU 14 1HD2 LEU 14 -1.826 9.664 3.552 103 2HD2 LEU 14 2HD2 LEU 14 -1.046 11.195 3.083 104 3HD2 LEU 14 3HD2 LEU 14 -0.110 9.956 3.932 105 H SER 15 H SER 15 0.626 15.017 5.838 106 HA SER 15 HA SER 15 -0.798 17.269 4.458 107 1HB SER 15 1HB SER 15 1.980 16.807 5.530 108 2HB SER 15 2HB SER 15 1.827 17.959 4.200 109 HG SER 15 HG SER 15 1.521 18.685 6.458 110 H GLU 16 H GLU 16 0.661 18.125 2.483 111 HA GLU 16 HA GLU 16 0.291 16.145 0.266 112 1HB GLU 16 1HB GLU 16 -0.098 18.841 0.376 113 2HB GLU 16 2HB GLU 16 1.517 18.837 -0.304 114 1HG GLU 16 1HG GLU 16 0.597 17.195 -2.134 115 2HG GLU 16 2HG GLU 16 0.124 18.883 -2.219 116 H GLU 17 H GLU 17 2.909 17.703 2.011 117 HA GLU 17 HA GLU 17 5.095 16.862 0.142 118 1HB GLU 17 1HB GLU 17 5.287 18.086 2.944 119 2HB GLU 17 2HB GLU 17 6.668 17.712 1.931 120 1HG GLU 17 1HG GLU 17 4.537 19.874 1.515 121 2HG GLU 17 2HG GLU 17 5.451 19.295 0.133 122 H MET 18 H MET 18 3.704 15.784 3.209 123 HA MET 18 HA MET 18 5.709 13.801 4.013 124 1HB MET 18 1HB MET 18 3.938 14.667 5.564 125 2HB MET 18 2HB MET 18 2.703 13.824 4.646 126 1HG MET 18 1HG MET 18 4.367 11.680 5.223 127 2HG MET 18 2HG MET 18 2.990 12.176 6.219 128 1HE MET 18 1HE MET 18 5.977 10.753 7.933 129 2HE MET 18 2HE MET 18 4.943 11.508 9.182 130 3HE MET 18 3HE MET 18 4.193 10.697 7.777 131 H ILE 19 H ILE 19 2.857 13.703 1.921 132 HA ILE 19 HA ILE 19 2.830 10.810 1.312 133 HB ILE 19 HB ILE 19 1.694 13.182 -0.249 134 1HG1 ILE 19 1HG1 ILE 19 0.413 11.108 1.638 135 2HG1 ILE 19 2HG1 ILE 19 0.434 12.850 1.817 136 1HG2 ILE 19 1HG2 ILE 19 0.475 11.539 -1.695 137 2HG2 ILE 19 2HG2 ILE 19 2.217 11.335 -1.873 138 3HG2 ILE 19 3HG2 ILE 19 1.294 10.182 -0.883 139 1HD1 ILE 19 1HD1 ILE 19 -1.199 11.354 -0.316 140 2HD1 ILE 19 2HD1 ILE 19 -1.802 12.191 1.129 141 3HD1 ILE 19 3HD1 ILE 19 -1.070 13.130 -0.193 142 H ALA 20 H ALA 20 4.346 13.679 -0.154 143 HA ALA 20 HA ALA 20 5.475 12.632 -2.547 144 1HB ALA 20 1HB ALA 20 7.169 14.540 -0.897 145 2HB ALA 20 2HB ALA 20 6.812 14.552 -2.635 146 3HB ALA 20 3HB ALA 20 5.572 15.080 -1.469 147 H GLU 21 H GLU 21 6.566 12.261 0.787 148 HA GLU 21 HA GLU 21 9.256 11.165 0.201 149 1HB GLU 21 1HB GLU 21 7.720 10.910 2.837 150 2HB GLU 21 2HB GLU 21 8.553 12.372 2.346 151 1HG GLU 21 1HG GLU 21 9.702 9.734 3.297 152 2HG GLU 21 2HG GLU 21 10.635 10.571 2.068 153 H PHE 22 H PHE 22 6.088 9.811 1.046 154 HA PHE 22 HA PHE 22 6.740 7.012 1.312 155 1HB PHE 22 1HB PHE 22 4.295 6.612 0.492 156 2HB PHE 22 2HB PHE 22 4.152 8.343 0.329 157 HD1 PHE 22 HD1 PHE 22 3.167 5.849 2.421 158 HD2 PHE 22 HD2 PHE 22 5.405 9.515 2.703 159 HE1 PHE 22 HE1 PHE 22 2.595 6.027 4.806 160 HE2 PHE 22 HE2 PHE 22 4.761 9.713 5.070 161 HZ PHE 22 HZ PHE 22 3.353 7.977 6.124 162 H LYS 23 H LYS 23 5.638 8.809 -1.574 163 HA LYS 23 HA LYS 23 5.678 6.820 -3.603 164 1HB LYS 23 1HB LYS 23 6.743 9.667 -4.060 165 2HB LYS 23 2HB LYS 23 5.040 9.317 -3.855 166 1HG LYS 23 1HG LYS 23 6.883 8.409 -6.134 167 2HG LYS 23 2HG LYS 23 5.316 7.663 -5.889 168 1HD LYS 23 1HD LYS 23 5.554 10.717 -6.199 169 2HD LYS 23 2HD LYS 23 4.124 9.711 -6.356 170 1HE LYS 23 1HE LYS 23 4.592 10.118 -8.613 171 2HE LYS 23 2HE LYS 23 6.342 10.152 -8.388 172 1HZ LYS 23 1HZ LYS 23 6.420 7.809 -8.354 173 2HZ LYS 23 2HZ LYS 23 4.801 7.629 -8.075 174 3HZ LYS 23 3HZ LYS 23 5.333 8.144 -9.552 175 H ALA 24 H ALA 24 8.398 8.675 -2.266 176 HA ALA 24 HA ALA 24 10.548 8.090 -4.012 177 1HB ALA 24 1HB ALA 24 12.083 8.386 -2.077 178 2HB ALA 24 2HB ALA 24 10.786 9.597 -2.059 179 3HB ALA 24 3HB ALA 24 10.728 8.215 -0.935 180 H ALA 25 H ALA 25 9.969 6.234 -1.004 181 HA ALA 25 HA ALA 25 11.752 4.017 -1.617 182 1HB ALA 25 1HB ALA 25 10.693 2.862 0.316 183 2HB ALA 25 2HB ALA 25 11.059 4.554 0.701 184 3HB ALA 25 3HB ALA 25 9.380 4.064 0.356 185 H PHE 26 H PHE 26 8.350 4.594 -2.294 186 HA PHE 26 HA PHE 26 7.356 1.950 -2.818 187 1HB PHE 26 1HB PHE 26 5.964 4.066 -2.684 188 2HB PHE 26 2HB PHE 26 6.503 4.524 -4.278 189 HD1 PHE 26 HD1 PHE 26 6.054 2.632 -6.204 190 HD2 PHE 26 HD2 PHE 26 3.945 2.847 -2.461 191 HE1 PHE 26 HE1 PHE 26 4.191 1.342 -7.167 192 HE2 PHE 26 HE2 PHE 26 2.090 1.559 -3.442 193 HZ PHE 26 HZ PHE 26 2.218 0.787 -5.786 194 H ASP 27 H ASP 27 9.230 4.161 -4.828 195 HA ASP 27 HA ASP 27 9.088 2.514 -7.314 196 1HB ASP 27 1HB ASP 27 10.966 4.877 -6.741 197 2HB ASP 27 2HB ASP 27 9.330 5.039 -7.336 198 H MET 28 H MET 28 11.287 2.959 -4.607 199 HA MET 28 HA MET 28 13.725 1.760 -5.483 200 1HB MET 28 1HB MET 28 12.934 2.651 -3.039 201 2HB MET 28 2HB MET 28 12.780 0.931 -2.730 202 1HG MET 28 1HG MET 28 15.138 0.516 -3.063 203 2HG MET 28 2HG MET 28 15.385 2.054 -3.905 204 1HE MET 28 1HE MET 28 16.340 0.618 -0.300 205 2HE MET 28 2HE MET 28 17.146 0.972 -1.856 206 3HE MET 28 3HE MET 28 17.365 2.078 -0.468 207 H PHE 29 H PHE 29 10.761 0.175 -4.316 208 HA PHE 29 HA PHE 29 11.884 -2.614 -4.799 209 1HB PHE 29 1HB PHE 29 9.090 -1.880 -3.720 210 2HB PHE 29 2HB PHE 29 9.801 -3.469 -3.779 211 HD1 PHE 29 HD1 PHE 29 10.320 -0.096 -2.159 212 HD2 PHE 29 HD2 PHE 29 11.100 -4.325 -1.958 213 HE1 PHE 29 HE1 PHE 29 11.308 0.180 0.078 214 HE2 PHE 29 HE2 PHE 29 12.074 -4.027 0.282 215 HZ PHE 29 HZ PHE 29 12.180 -1.781 1.303 216 H ASP 30 H ASP 30 9.470 -0.325 -5.980 217 HA ASP 30 HA ASP 30 8.231 -2.177 -7.955 218 1HB ASP 30 1HB ASP 30 7.915 0.843 -7.535 219 2HB ASP 30 2HB ASP 30 6.823 -0.429 -7.037 220 H ALA 31 H ALA 31 9.902 -2.955 -9.183 221 HA ALA 31 HA ALA 31 11.864 -1.225 -10.619 222 1HB ALA 31 1HB ALA 31 12.689 -3.368 -11.603 223 2HB ALA 31 2HB ALA 31 12.521 -3.476 -9.840 224 3HB ALA 31 3HB ALA 31 11.315 -4.254 -10.898 225 H ASP 32 H ASP 32 9.559 -3.642 -11.887 226 HA ASP 32 HA ASP 32 8.735 -1.748 -14.135 227 1HB ASP 32 1HB ASP 32 9.019 -4.644 -14.929 228 2HB ASP 32 2HB ASP 32 9.136 -3.191 -15.894 229 H GLY 33 H GLY 33 6.889 -1.402 -12.868 230 1HA GLY 33 1HA GLY 33 4.779 -3.634 -13.030 231 2HA GLY 33 2HA GLY 33 4.906 -2.634 -11.579 232 H GLY 34 H GLY 34 4.920 -0.192 -12.049 233 1HA GLY 34 1HA GLY 34 4.022 1.580 -13.798 234 2HA GLY 34 2HA GLY 34 2.685 0.452 -14.045 235 H GLY 35 H GLY 35 4.327 1.522 -11.066 236 1HA GLY 35 1HA GLY 35 3.473 2.872 -9.189 237 2HA GLY 35 2HA GLY 35 1.950 3.064 -10.064 238 H ASP 36 H ASP 36 3.519 -0.036 -9.524 239 HA ASP 36 HA ASP 36 1.643 -0.878 -7.305 240 1HB ASP 36 1HB ASP 36 1.023 -2.985 -8.838 241 2HB ASP 36 2HB ASP 36 1.335 -1.882 -10.158 242 H ILE 37 H ILE 37 2.221 -2.905 -6.409 243 HA ILE 37 HA ILE 37 4.788 -4.288 -7.269 244 HB ILE 37 HB ILE 37 5.498 -4.138 -4.706 245 1HG1 ILE 37 1HG1 ILE 37 4.515 -1.250 -4.976 246 2HG1 ILE 37 2HG1 ILE 37 3.415 -2.453 -4.337 247 1HG2 ILE 37 1HG2 ILE 37 7.175 -2.402 -5.348 248 2HG2 ILE 37 2HG2 ILE 37 6.915 -3.525 -6.690 249 3HG2 ILE 37 3HG2 ILE 37 6.182 -1.904 -6.739 250 1HD1 ILE 37 1HD1 ILE 37 6.124 -1.747 -3.070 251 2HD1 ILE 37 2HD1 ILE 37 4.502 -1.354 -2.461 252 3HD1 ILE 37 3HD1 ILE 37 5.043 -3.048 -2.501 253 H SER 38 H SER 38 5.107 -6.241 -5.874 254 HA SER 38 HA SER 38 2.725 -7.922 -5.649 255 1HB SER 38 1HB SER 38 4.991 -8.851 -5.996 256 2HB SER 38 2HB SER 38 5.495 -8.326 -4.387 257 HG SER 38 HG SER 38 4.865 -10.382 -4.188 258 H THR 39 H THR 39 1.792 -8.808 -3.750 259 HA THR 39 HA THR 39 1.220 -6.801 -1.604 260 HB THR 39 HB THR 39 -0.666 -8.022 -2.449 261 HG1 THR 39 HG1 THR 39 -1.515 -8.630 -0.545 262 1HG2 THR 39 1HG2 THR 39 -1.069 -10.428 -2.164 263 2HG2 THR 39 2HG2 THR 39 0.413 -10.210 -3.123 264 3HG2 THR 39 3HG2 THR 39 0.521 -10.667 -1.403 265 H LYS 40 H LYS 40 3.060 -9.772 -2.001 266 HA LYS 40 HA LYS 40 3.465 -10.488 0.807 267 1HB LYS 40 1HB LYS 40 4.738 -11.268 -1.811 268 2HB LYS 40 2HB LYS 40 4.027 -12.274 -0.568 269 1HG LYS 40 1HG LYS 40 6.794 -10.935 -0.408 270 2HG LYS 40 2HG LYS 40 6.098 -11.912 0.870 271 1HD LYS 40 1HD LYS 40 5.927 -13.682 -1.307 272 2HD LYS 40 2HD LYS 40 7.349 -12.741 -1.728 273 1HE LYS 40 1HE LYS 40 6.968 -14.620 0.630 274 2HE LYS 40 2HE LYS 40 8.323 -14.509 -0.495 275 1HZ LYS 40 1HZ LYS 40 8.489 -12.123 0.708 276 2HZ LYS 40 2HZ LYS 40 7.818 -12.992 1.942 277 3HZ LYS 40 3HZ LYS 40 9.251 -13.473 1.278 278 H GLU 41 H GLU 41 5.116 -8.321 -1.428 279 HA GLU 41 HA GLU 41 7.399 -7.736 0.444 280 1HB GLU 41 1HB GLU 41 8.413 -6.491 -1.306 281 2HB GLU 41 2HB GLU 41 6.906 -6.243 -2.163 282 1HG GLU 41 1HG GLU 41 6.837 -8.687 -2.794 283 2HG GLU 41 2HG GLU 41 8.304 -8.980 -1.876 284 H LEU 42 H LEU 42 4.395 -6.284 -0.660 285 HA LEU 42 HA LEU 42 4.410 -3.595 -0.048 286 1HB LEU 42 1HB LEU 42 2.364 -4.659 -0.785 287 2HB LEU 42 2HB LEU 42 2.254 -5.652 0.653 288 HG LEU 42 HG LEU 42 1.969 -3.395 1.990 289 1HD1 LEU 42 1HD1 LEU 42 -0.317 -4.205 0.085 290 2HD1 LEU 42 2HD1 LEU 42 0.133 -5.128 1.526 291 3HD1 LEU 42 3HD1 LEU 42 -0.469 -3.461 1.697 292 1HD2 LEU 42 1HD2 LEU 42 1.073 -1.458 0.748 293 2HD2 LEU 42 2HD2 LEU 42 2.654 -1.881 0.047 294 3HD2 LEU 42 3HD2 LEU 42 1.165 -2.340 -0.798 295 H GLY 43 H GLY 43 4.068 -6.200 2.372 296 1HA GLY 43 1HA GLY 43 3.880 -4.648 4.822 297 2HA GLY 43 2HA GLY 43 4.527 -6.290 4.733 298 H THR 44 H THR 44 6.759 -6.140 3.296 299 HA THR 44 HA THR 44 8.794 -5.209 5.016 300 HB THR 44 HB THR 44 9.359 -5.433 2.036 301 HG1 THR 44 HG1 THR 44 9.647 -7.729 2.742 302 1HG2 THR 44 1HG2 THR 44 11.457 -6.557 2.803 303 2HG2 THR 44 2HG2 THR 44 11.345 -4.903 3.441 304 3HG2 THR 44 3HG2 THR 44 10.994 -6.291 4.502 305 H VAL 45 H VAL 45 7.062 -3.486 2.525 306 HA VAL 45 HA VAL 45 8.967 -1.301 2.015 307 HB VAL 45 HB VAL 45 5.971 -1.483 1.429 308 1HG1 VAL 45 1HG1 VAL 45 8.333 -1.655 -0.545 309 2HG1 VAL 45 2HG1 VAL 45 7.546 -3.076 0.153 310 3HG1 VAL 45 3HG1 VAL 45 6.610 -1.970 -0.877 311 1HG2 VAL 45 1HG2 VAL 45 6.119 0.494 0.004 312 2HG2 VAL 45 2HG2 VAL 45 6.757 0.974 1.594 313 3HG2 VAL 45 3HG2 VAL 45 7.877 0.645 0.264 314 H MET 46 H MET 46 6.398 -1.853 4.351 315 HA MET 46 HA MET 46 6.305 0.977 5.343 316 1HB MET 46 1HB MET 46 4.713 -1.535 5.800 317 2HB MET 46 2HB MET 46 4.839 -0.481 7.197 318 1HG MET 46 1HG MET 46 3.987 1.464 5.672 319 2HG MET 46 2HG MET 46 3.622 0.222 4.462 320 1HE MET 46 1HE MET 46 1.777 0.696 8.685 321 2HE MET 46 2HE MET 46 3.049 -0.559 8.610 322 3HE MET 46 3HE MET 46 3.436 1.129 8.166 323 NH1 ARG 47 NH1 ARG 47 9.616 -8.292 8.811 324 NH2 ARG 47 NH2 ARG 47 11.839 -7.920 8.523 325 H ARG 47 H ARG 47 7.323 -2.203 6.623 326 HA ARG 47 HA ARG 47 8.129 -1.141 9.302 327 1HB ARG 47 1HB ARG 47 7.541 -3.307 9.695 328 2HB ARG 47 2HB ARG 47 7.796 -3.791 8.025 329 1HG ARG 47 1HG ARG 47 10.050 -3.482 10.100 330 2HG ARG 47 2HG ARG 47 10.287 -3.953 8.415 331 1HD ARG 47 1HD ARG 47 8.885 -5.550 10.635 332 2HD ARG 47 2HD ARG 47 8.557 -5.918 8.943 333 HE ARG 47 HE ARG 47 11.433 -5.948 9.981 334 1HH1 ARG 47 1HH1 ARG 47 9.775 -9.165 8.295 335 2HH1 ARG 47 2HH1 ARG 47 8.730 -7.970 9.216 336 1HH2 ARG 47 1HH2 ARG 47 12.655 -7.343 8.754 337 2HH2 ARG 47 2HH2 ARG 47 11.836 -8.793 7.984 338 H MET 48 H MET 48 9.736 -1.848 6.261 339 HA MET 48 HA MET 48 12.456 -2.264 7.259 340 1HB MET 48 1HB MET 48 11.566 -1.247 4.489 341 2HB MET 48 2HB MET 48 11.833 -2.919 4.945 342 1HG MET 48 1HG MET 48 14.341 -1.975 5.528 343 2HG MET 48 2HG MET 48 13.873 -0.770 4.317 344 1HE MET 48 1HE MET 48 13.517 -5.134 4.382 345 2HE MET 48 2HE MET 48 15.208 -5.010 3.814 346 3HE MET 48 3HE MET 48 14.715 -4.195 5.327 347 H LEU 49 H LEU 49 10.725 0.626 6.296 348 HA LEU 49 HA LEU 49 13.040 2.442 7.140 349 1HB LEU 49 1HB LEU 49 11.429 4.134 5.773 350 2HB LEU 49 2HB LEU 49 12.585 3.086 4.955 351 HG LEU 49 HG LEU 49 10.243 3.152 3.927 352 1HD1 LEU 49 1HD1 LEU 49 9.387 1.459 6.343 353 2HD1 LEU 49 2HD1 LEU 49 8.965 3.168 6.128 354 3HD1 LEU 49 3HD1 LEU 49 8.368 1.956 4.967 355 1HD2 LEU 49 1HD2 LEU 49 10.151 0.783 3.325 356 2HD2 LEU 49 2HD2 LEU 49 11.869 1.211 3.512 357 3HD2 LEU 49 3HD2 LEU 49 11.042 0.315 4.795 358 H GLY 50 H GLY 50 11.041 1.122 8.944 359 1HA GLY 50 1HA GLY 50 8.735 2.371 9.825 360 2HA GLY 50 2HA GLY 50 9.897 3.613 10.276 361 H GLN 51 H GLN 51 9.506 0.080 10.649 362 HA GLN 51 HA GLN 51 10.410 0.248 13.574 363 1HB GLN 51 1HB GLN 51 7.900 -1.351 13.062 364 2HB GLN 51 2HB GLN 51 8.438 -0.505 14.502 365 1HG GLN 51 1HG GLN 51 7.721 1.659 13.659 366 2HG GLN 51 2HG GLN 51 7.510 1.058 12.027 367 1HE2 GLN 51 1HE2 GLN 51 4.035 1.091 13.181 368 2HE2 GLN 51 2HE2 GLN 51 5.364 2.234 12.639 369 H ASN 52 H ASN 52 9.343 -2.453 14.022 370 HA ASN 52 HA ASN 52 10.841 -4.228 12.089 371 1HB ASN 52 1HB ASN 52 11.601 -4.044 15.056 372 2HB ASN 52 2HB ASN 52 12.547 -3.406 13.728 373 1HD2 ASN 52 1HD2 ASN 52 13.529 -7.002 14.930 374 2HD2 ASN 52 2HD2 ASN 52 12.812 -5.614 15.892 375 HA PRO 53 HA PRO 53 6.974 -6.196 14.458 376 1HB PRO 53 1HB PRO 53 5.272 -6.476 12.258 377 2HB PRO 53 2HB PRO 53 5.277 -5.121 13.396 378 1HG PRO 53 1HG PRO 53 5.619 -3.899 11.430 379 2HG PRO 53 2HG PRO 53 6.527 -5.187 10.600 380 1HD PRO 53 1HD PRO 53 8.379 -3.856 11.328 381 2HD PRO 53 2HD PRO 53 7.452 -3.158 12.693 382 H THR 54 H THR 54 5.735 -8.198 12.958 383 HA THR 54 HA THR 54 8.073 -10.107 12.449 384 HB THR 54 HB THR 54 5.926 -10.327 14.312 385 HG1 THR 54 HG1 THR 54 7.761 -11.152 14.866 386 1HG2 THR 54 1HG2 THR 54 4.953 -12.547 13.820 387 2HG2 THR 54 2HG2 THR 54 4.491 -11.394 12.546 388 3HG2 THR 54 3HG2 THR 54 5.765 -12.602 12.238 389 H LYS 55 H LYS 55 7.307 -12.058 11.112 390 HA LYS 55 HA LYS 55 6.408 -10.960 8.441 391 1HB LYS 55 1HB LYS 55 7.248 -13.860 8.827 392 2HB LYS 55 2HB LYS 55 8.474 -12.622 8.999 393 1HG LYS 55 1HG LYS 55 7.355 -11.836 6.593 394 2HG LYS 55 2HG LYS 55 6.991 -13.549 6.535 395 1HD LYS 55 1HD LYS 55 9.857 -12.636 7.160 396 2HD LYS 55 2HD LYS 55 9.300 -14.188 6.555 397 1HE LYS 55 1HE LYS 55 8.726 -13.219 4.339 398 2HE LYS 55 2HE LYS 55 9.136 -11.593 4.889 399 1HZ LYS 55 1HZ LYS 55 10.912 -13.817 4.202 400 2HZ LYS 55 2HZ LYS 55 11.093 -12.198 3.924 401 3HZ LYS 55 3HZ LYS 55 11.427 -12.822 5.417 402 H GLU 56 H GLU 56 5.475 -13.326 10.895 403 HA GLU 56 HA GLU 56 3.252 -14.642 9.482 404 1HB GLU 56 1HB GLU 56 3.457 -14.329 12.517 405 2HB GLU 56 2HB GLU 56 2.557 -15.537 11.621 406 1HG GLU 56 1HG GLU 56 5.594 -15.413 11.258 407 2HG GLU 56 2HG GLU 56 4.517 -16.782 11.043 408 H GLU 57 H GLU 57 3.602 -11.698 11.378 409 HA GLU 57 HA GLU 57 0.751 -10.956 11.592 410 1HB GLU 57 1HB GLU 57 3.172 -9.077 11.634 411 2HB GLU 57 2HB GLU 57 1.539 -8.659 12.111 412 1HG GLU 57 1HG GLU 57 3.056 -10.933 13.525 413 2HG GLU 57 2HG GLU 57 3.321 -9.254 13.965 414 H LEU 58 H LEU 58 3.305 -10.444 9.203 415 HA LEU 58 HA LEU 58 1.914 -8.579 7.405 416 1HB LEU 58 1HB LEU 58 4.474 -9.541 7.497 417 2HB LEU 58 2HB LEU 58 3.852 -10.597 6.247 418 HG LEU 58 HG LEU 58 4.010 -7.527 6.175 419 1HD1 LEU 58 1HD1 LEU 58 5.458 -7.935 4.159 420 2HD1 LEU 58 2HD1 LEU 58 6.139 -8.690 5.608 421 3HD1 LEU 58 3HD1 LEU 58 5.308 -9.695 4.396 422 1HD2 LEU 58 1HD2 LEU 58 2.658 -9.336 4.061 423 2HD2 LEU 58 2HD2 LEU 58 1.824 -8.182 5.131 424 3HD2 LEU 58 3HD2 LEU 58 2.960 -7.587 3.906 425 H ASP 59 H ASP 59 1.961 -12.079 7.792 426 HA ASP 59 HA ASP 59 0.444 -12.874 5.432 427 1HB ASP 59 1HB ASP 59 1.203 -14.212 7.999 428 2HB ASP 59 2HB ASP 59 1.348 -14.760 6.345 429 H ALA 60 H ALA 60 -0.502 -11.695 8.622 430 HA ALA 60 HA ALA 60 -3.399 -12.074 8.477 431 1HB ALA 60 1HB ALA 60 -3.526 -10.342 10.262 432 2HB ALA 60 2HB ALA 60 -2.252 -11.528 10.602 433 3HB ALA 60 3HB ALA 60 -1.820 -9.906 10.005 434 H ILE 61 H ILE 61 -1.336 -9.263 7.661 435 HA ILE 61 HA ILE 61 -3.260 -7.408 6.723 436 HB ILE 61 HB ILE 61 -0.435 -7.772 5.607 437 1HG1 ILE 61 1HG1 ILE 61 -0.125 -5.573 7.116 438 2HG1 ILE 61 2HG1 ILE 61 0.060 -7.173 7.803 439 1HG2 ILE 61 1HG2 ILE 61 -0.616 -5.412 4.773 440 2HG2 ILE 61 2HG2 ILE 61 -1.831 -6.436 4.010 441 3HG2 ILE 61 3HG2 ILE 61 -2.309 -5.330 5.318 442 1HD1 ILE 61 1HD1 ILE 61 -2.200 -7.129 8.822 443 2HD1 ILE 61 2HD1 ILE 61 -1.267 -5.694 9.298 444 3HD1 ILE 61 3HD1 ILE 61 -2.537 -5.550 8.061 445 H ILE 62 H ILE 62 -1.811 -10.218 5.155 446 HA ILE 62 HA ILE 62 -2.854 -9.700 2.409 447 HB ILE 62 HB ILE 62 -1.261 -11.886 3.712 448 1HG1 ILE 62 1HG1 ILE 62 -0.115 -11.678 1.296 449 2HG1 ILE 62 2HG1 ILE 62 -1.032 -10.193 1.165 450 1HG2 ILE 62 1HG2 ILE 62 -1.592 -13.502 1.824 451 2HG2 ILE 62 2HG2 ILE 62 -3.108 -13.244 2.683 452 3HG2 ILE 62 3HG2 ILE 62 -2.841 -12.449 1.115 453 1HD1 ILE 62 1HD1 ILE 62 1.071 -10.734 3.342 454 2HD1 ILE 62 2HD1 ILE 62 1.197 -9.633 1.955 455 3HD1 ILE 62 3HD1 ILE 62 0.041 -9.278 3.259 456 H GLU 63 H GLU 63 -3.863 -11.488 5.271 457 HA GLU 63 HA GLU 63 -6.062 -13.021 4.093 458 1HB GLU 63 1HB GLU 63 -6.110 -12.160 7.010 459 2HB GLU 63 2HB GLU 63 -4.859 -13.249 6.445 460 1HG GLU 63 1HG GLU 63 -6.735 -14.820 5.579 461 2HG GLU 63 2HG GLU 63 -7.899 -13.757 6.352 462 H GLU 64 H GLU 64 -5.800 -9.747 5.353 463 HA GLU 64 HA GLU 64 -8.745 -9.252 5.537 464 1HB GLU 64 1HB GLU 64 -6.805 -8.184 6.966 465 2HB GLU 64 2HB GLU 64 -6.647 -7.046 5.642 466 1HG GLU 64 1HG GLU 64 -8.421 -5.817 6.386 467 2HG GLU 64 2HG GLU 64 -9.485 -7.213 6.373 468 H VAL 65 H VAL 65 -6.071 -8.173 3.436 469 HA VAL 65 HA VAL 65 -7.709 -6.422 1.708 470 HB VAL 65 HB VAL 65 -5.693 -6.417 0.161 471 1HG1 VAL 65 1HG1 VAL 65 -4.314 -4.977 1.673 472 2HG1 VAL 65 2HG1 VAL 65 -6.043 -4.636 1.880 473 3HG1 VAL 65 3HG1 VAL 65 -5.178 -5.600 3.101 474 1HG2 VAL 65 1HG2 VAL 65 -4.316 -8.075 2.386 475 2HG2 VAL 65 2HG2 VAL 65 -4.613 -8.602 0.711 476 3HG2 VAL 65 3HG2 VAL 65 -3.494 -7.269 1.028 477 H ASP 66 H ASP 66 -6.730 -9.805 1.684 478 HA ASP 66 HA ASP 66 -7.912 -10.254 -1.094 479 1HB ASP 66 1HB ASP 66 -5.493 -11.062 -0.406 480 2HB ASP 66 2HB ASP 66 -6.312 -12.356 0.435 481 H GLU 67 H GLU 67 -9.793 -9.700 0.664 482 HA GLU 67 HA GLU 67 -11.048 -12.140 1.882 483 1HB GLU 67 1HB GLU 67 -11.373 -9.816 2.815 484 2HB GLU 67 2HB GLU 67 -12.313 -9.391 1.399 485 1HG GLU 67 1HG GLU 67 -13.966 -9.909 3.022 486 2HG GLU 67 2HG GLU 67 -13.921 -11.358 2.032 487 H ASP 68 H ASP 68 -11.679 -9.997 -0.905 488 HA ASP 68 HA ASP 68 -12.554 -12.291 -2.632 489 1HB ASP 68 1HB ASP 68 -14.812 -11.689 -3.073 490 2HB ASP 68 2HB ASP 68 -14.667 -10.120 -2.316 491 H GLY 69 H GLY 69 -10.380 -10.639 -2.790 492 1HA GLY 69 1HA GLY 69 -10.988 -8.733 -5.129 493 2HA GLY 69 2HA GLY 69 -9.643 -8.506 -4.006 494 H SER 70 H SER 70 -7.959 -10.144 -3.956 495 HA SER 70 HA SER 70 -6.255 -11.502 -4.982 496 1HB SER 70 1HB SER 70 -8.397 -12.983 -5.359 497 2HB SER 70 2HB SER 70 -8.284 -12.469 -7.044 498 HG SER 70 HG SER 70 -7.063 -14.411 -6.110 499 H GLY 71 H GLY 71 -5.366 -9.413 -5.577 500 1HA GLY 71 1HA GLY 71 -4.933 -9.089 -8.555 501 2HA GLY 71 2HA GLY 71 -5.767 -7.731 -7.795 502 H THR 72 H THR 72 -4.056 -6.366 -8.259 503 HA THR 72 HA THR 72 -1.393 -6.863 -6.890 504 HB THR 72 HB THR 72 -0.642 -4.809 -8.325 505 HG1 THR 72 HG1 THR 72 -2.707 -5.711 -9.986 506 1HG2 THR 72 1HG2 THR 72 -0.098 -7.396 -8.776 507 2HG2 THR 72 2HG2 THR 72 -1.209 -7.184 -10.148 508 3HG2 THR 72 3HG2 THR 72 0.255 -6.174 -10.018 509 H ILE 73 H ILE 73 -0.336 -4.937 -5.923 510 HA ILE 73 HA ILE 73 -2.339 -3.392 -4.243 511 HB ILE 73 HB ILE 73 0.463 -4.339 -3.608 512 1HG1 ILE 73 1HG1 ILE 73 -0.563 -5.324 -1.616 513 2HG1 ILE 73 2HG1 ILE 73 -1.415 -5.832 -3.064 514 1HG2 ILE 73 1HG2 ILE 73 0.639 -2.961 -1.569 515 2HG2 ILE 73 2HG2 ILE 73 0.489 -1.892 -2.970 516 3HG2 ILE 73 3HG2 ILE 73 -0.913 -2.161 -1.908 517 1HD1 ILE 73 1HD1 ILE 73 -3.255 -5.379 -1.695 518 2HD1 ILE 73 2HD1 ILE 73 -2.428 -4.070 -0.824 519 3HD1 ILE 73 3HD1 ILE 73 -3.078 -3.773 -2.454 520 H ASP 74 H ASP 74 -2.426 -1.248 -4.312 521 HA ASP 74 HA ASP 74 -0.583 0.237 -6.258 522 1HB ASP 74 1HB ASP 74 -2.655 1.926 -6.240 523 2HB ASP 74 2HB ASP 74 -2.569 0.553 -7.321 524 H PHE 75 H PHE 75 -0.557 2.660 -5.757 525 HA PHE 75 HA PHE 75 0.817 3.034 -3.176 526 1HB PHE 75 1HB PHE 75 1.465 4.259 -5.250 527 2HB PHE 75 2HB PHE 75 -0.056 5.113 -5.272 528 HD1 PHE 75 HD1 PHE 75 1.350 7.248 -5.271 529 HD2 PHE 75 HD2 PHE 75 1.405 4.546 -1.921 530 HE1 PHE 75 HE1 PHE 75 2.451 8.963 -3.892 531 HE2 PHE 75 HE2 PHE 75 2.479 6.287 -0.550 532 HZ PHE 75 HZ PHE 75 2.991 8.497 -1.525 533 H GLU 76 H GLU 76 -2.408 3.686 -4.425 534 HA GLU 76 HA GLU 76 -3.392 5.504 -2.360 535 1HB GLU 76 1HB GLU 76 -4.824 3.699 -4.353 536 2HB GLU 76 2HB GLU 76 -5.730 4.563 -3.127 537 1HG GLU 76 1HG GLU 76 -4.328 6.698 -4.116 538 2HG GLU 76 2HG GLU 76 -4.221 5.663 -5.530 539 H GLU 77 H GLU 77 -3.862 1.991 -2.807 540 HA GLU 77 HA GLU 77 -5.223 1.408 -0.276 541 1HB GLU 77 1HB GLU 77 -3.443 -0.701 -1.514 542 2HB GLU 77 2HB GLU 77 -4.779 -0.094 -2.472 543 1HG GLU 77 1HG GLU 77 -5.068 -1.337 0.341 544 2HG GLU 77 2HG GLU 77 -6.401 -0.753 -0.641 545 H PHE 78 H PHE 78 -1.856 1.819 -1.189 546 HA PHE 78 HA PHE 78 -0.553 0.559 1.094 547 1HB PHE 78 1HB PHE 78 0.863 0.917 -0.750 548 2HB PHE 78 2HB PHE 78 0.350 2.564 -1.007 549 HD1 PHE 78 HD1 PHE 78 2.246 3.980 -0.750 550 HD2 PHE 78 HD2 PHE 78 1.687 0.810 2.105 551 HE1 PHE 78 HE1 PHE 78 4.264 4.700 0.462 552 HE2 PHE 78 HE2 PHE 78 3.670 1.585 3.340 553 HZ PHE 78 HZ PHE 78 4.961 3.527 2.524 554 H LEU 79 H LEU 79 -1.906 3.766 0.554 555 HA LEU 79 HA LEU 79 -0.902 5.009 3.071 556 1HB LEU 79 1HB LEU 79 -2.091 6.958 2.473 557 2HB LEU 79 2HB LEU 79 -3.346 6.085 1.620 558 HG LEU 79 HG LEU 79 -2.034 5.819 -0.362 559 1HD1 LEU 79 1HD1 LEU 79 -1.262 8.124 -0.943 560 2HD1 LEU 79 2HD1 LEU 79 -2.789 8.186 -0.042 561 3HD1 LEU 79 3HD1 LEU 79 -1.259 8.586 0.778 562 1HD2 LEU 79 1HD2 LEU 79 0.498 6.598 1.234 563 2HD2 LEU 79 2HD2 LEU 79 0.101 4.974 0.621 564 3HD2 LEU 79 3HD2 LEU 79 0.433 6.286 -0.519 565 H VAL 80 H VAL 80 -3.859 3.405 1.969 566 HA VAL 80 HA VAL 80 -5.542 3.680 4.344 567 HB VAL 80 HB VAL 80 -5.450 1.428 2.277 568 1HG1 VAL 80 1HG1 VAL 80 -7.559 3.655 2.578 569 2HG1 VAL 80 2HG1 VAL 80 -6.177 3.778 1.481 570 3HG1 VAL 80 3HG1 VAL 80 -7.379 2.489 1.241 571 1HG2 VAL 80 1HG2 VAL 80 -7.613 0.608 3.087 572 2HG2 VAL 80 2HG2 VAL 80 -6.506 0.612 4.479 573 3HG2 VAL 80 3HG2 VAL 80 -7.718 1.891 4.318 574 H MET 81 H MET 81 -2.771 1.692 3.531 575 HA MET 81 HA MET 81 -2.871 -0.265 5.709 576 1HB MET 81 1HB MET 81 -0.085 0.319 4.957 577 2HB MET 81 2HB MET 81 -1.075 0.368 3.513 578 1HG MET 81 1HG MET 81 -0.237 -1.855 3.690 579 2HG MET 81 2HG MET 81 -1.962 -1.977 4.088 580 1HE MET 81 1HE MET 81 1.365 -3.676 6.496 581 2HE MET 81 2HE MET 81 0.404 -4.317 5.131 582 3HE MET 81 3HE MET 81 1.462 -2.897 4.886 583 H MET 82 H MET 82 -0.331 2.191 5.415 584 HA MET 82 HA MET 82 0.677 2.326 8.012 585 1HB MET 82 1HB MET 82 0.309 4.580 5.981 586 2HB MET 82 2HB MET 82 0.962 4.936 7.570 587 1HG MET 82 1HG MET 82 2.269 2.686 5.962 588 2HG MET 82 2HG MET 82 2.580 4.369 5.509 589 1HE MET 82 1HE MET 82 2.649 6.159 7.422 590 2HE MET 82 2HE MET 82 3.500 5.937 8.979 591 3HE MET 82 3HE MET 82 4.439 6.089 7.465 592 H VAL 83 H VAL 83 -2.141 4.189 6.846 593 HA VAL 83 HA VAL 83 -2.852 5.573 9.283 594 HB VAL 83 HB VAL 83 -4.879 4.595 7.209 595 1HG1 VAL 83 1HG1 VAL 83 -3.370 7.282 7.129 596 2HG1 VAL 83 2HG1 VAL 83 -2.901 5.879 6.158 597 3HG1 VAL 83 3HG1 VAL 83 -4.498 6.625 5.915 598 1HG2 VAL 83 1HG2 VAL 83 -6.292 6.469 7.879 599 2HG2 VAL 83 2HG2 VAL 83 -5.847 5.619 9.377 600 3HG2 VAL 83 3HG2 VAL 83 -5.036 7.134 8.955 601 NH1 ARG 84 NH1 ARG 84 -6.166 -4.380 6.366 602 NH2 ARG 84 NH2 ARG 84 -6.906 -2.731 4.990 603 H ARG 84 H ARG 84 -4.043 2.444 8.005 604 HA ARG 84 HA ARG 84 -5.763 1.471 10.028 605 1HB ARG 84 1HB ARG 84 -4.672 0.316 7.807 606 2HB ARG 84 2HB ARG 84 -3.689 -0.488 9.023 607 1HG ARG 84 1HG ARG 84 -5.858 -1.184 10.236 608 2HG ARG 84 2HG ARG 84 -6.760 -0.567 8.851 609 1HD ARG 84 1HD ARG 84 -4.573 -2.740 8.634 610 2HD ARG 84 2HD ARG 84 -6.295 -3.090 8.768 611 HE ARG 84 HE ARG 84 -5.370 -1.338 6.454 612 1HH1 ARG 84 1HH1 ARG 84 -7.310 -3.490 4.429 613 2HH1 ARG 84 2HH1 ARG 84 -6.940 -1.727 4.781 614 1HH2 ARG 84 1HH2 ARG 84 -5.770 -4.633 7.277 615 2HH2 ARG 84 2HH2 ARG 84 -6.481 -5.026 5.632 616 H GLN 85 H GLN 85 -2.196 1.049 9.995 617 HA GLN 85 HA GLN 85 -1.926 -0.420 12.488 618 1HB GLN 85 1HB GLN 85 -0.152 0.173 10.551 619 2HB GLN 85 2HB GLN 85 0.257 1.505 11.617 620 1HG GLN 85 1HG GLN 85 0.496 -0.335 13.510 621 2HG GLN 85 2HG GLN 85 1.787 -0.084 12.355 622 1HE2 GLN 85 1HE2 GLN 85 -0.273 -3.668 12.372 623 2HE2 GLN 85 2HE2 GLN 85 -0.846 -2.217 13.338 624 H MET 86 H MET 86 -1.289 3.046 11.873 625 HA MET 86 HA MET 86 -0.727 3.963 14.511 626 1HB MET 86 1HB MET 86 -1.684 5.300 12.007 627 2HB MET 86 2HB MET 86 -2.094 6.160 13.480 628 1HG MET 86 1HG MET 86 0.628 5.511 13.914 629 2HG MET 86 2HG MET 86 0.563 5.825 12.173 630 1HE MET 86 1HE MET 86 0.162 8.351 15.795 631 2HE MET 86 2HE MET 86 1.106 6.890 15.380 632 3HE MET 86 3HE MET 86 1.728 8.506 14.938 633 H LYS 87 H LYS 87 -3.816 3.223 13.013 634 HA LYS 87 HA LYS 87 -5.660 4.366 14.966 635 1HB LYS 87 1HB LYS 87 -6.126 3.194 12.606 636 2HB LYS 87 2HB LYS 87 -6.317 1.736 13.556 637 1HG LYS 87 1HG LYS 87 -8.515 2.561 13.317 638 2HG LYS 87 2HG LYS 87 -8.042 4.239 13.495 639 1HD LYS 87 1HD LYS 87 -8.186 2.168 15.786 640 2HD LYS 87 2HD LYS 87 -7.588 3.809 15.968 641 1HE LYS 87 1HE LYS 87 -9.950 3.658 16.724 642 2HE LYS 87 2HE LYS 87 -9.804 4.781 15.371 643 1HZ LYS 87 1HZ LYS 87 -11.603 2.832 15.465 644 2HZ LYS 87 2HZ LYS 87 -11.011 3.409 14.035 645 3HZ LYS 87 3HZ LYS 87 -10.414 2.006 14.669 646 H GLU 88 H GLU 88 -4.439 1.006 14.649 647 HA GLU 88 HA GLU 88 -3.870 0.593 17.483 648 1HB GLU 88 1HB GLU 88 -6.661 0.519 16.988 649 2HB GLU 88 2HB GLU 88 -6.202 -1.169 17.101 650 1HG GLU 88 1HG GLU 88 -5.517 -0.987 19.381 651 2HG GLU 88 2HG GLU 88 -5.202 0.737 19.271 652 H ASP 89 H ASP 89 -3.403 -1.696 17.934 653 HA ASP 89 HA ASP 89 -2.905 -3.422 15.460 654 1HB ASP 89 1HB ASP 89 -0.776 -3.798 17.472 655 2HB ASP 89 2HB ASP 89 -0.679 -3.641 15.733 656 H ALA 90 H ALA 90 -3.644 -5.387 15.675 657 HA ALA 90 HA ALA 90 -3.782 -6.881 18.287 658 1HB ALA 90 1HB ALA 90 -6.487 -6.633 16.897 659 2HB ALA 90 2HB ALA 90 -6.119 -6.999 18.594 660 3HB ALA 90 3HB ALA 90 -5.987 -5.326 17.999 Start of MODEL 19 Raw file had 660 H/Q atoms Start of MODEL 19 1 1H ALA 1 1H ALA 1 -18.832 -1.593 8.269 2 2H ALA 1 2H ALA 1 -17.589 -2.700 8.030 3 3H ALA 1 3H ALA 1 -17.866 -1.489 6.896 4 HA ALA 1 HA ALA 1 -19.116 -4.045 7.252 5 1HB ALA 1 1HB ALA 1 -21.055 -2.989 8.086 6 2HB ALA 1 2HB ALA 1 -20.801 -1.497 7.162 7 3HB ALA 1 3HB ALA 1 -21.400 -2.961 6.341 8 H SER 2 H SER 2 -19.105 -1.009 5.350 9 HA SER 2 HA SER 2 -18.702 -2.587 2.760 10 1HB SER 2 1HB SER 2 -19.835 -0.915 1.585 11 2HB SER 2 2HB SER 2 -20.718 -0.965 3.113 12 HG SER 2 HG SER 2 -20.219 1.131 2.512 13 H MET 3 H MET 3 -17.501 0.135 4.692 14 HA MET 3 HA MET 3 -15.581 1.589 4.488 15 1HB MET 3 1HB MET 3 -13.419 0.455 4.297 16 2HB MET 3 2HB MET 3 -14.485 -0.414 5.385 17 1HG MET 3 1HG MET 3 -13.964 -1.259 2.461 18 2HG MET 3 2HG MET 3 -14.929 -2.157 3.644 19 1HE MET 3 1HE MET 3 -13.616 -4.450 3.884 20 2HE MET 3 2HE MET 3 -12.890 -3.856 2.362 21 3HE MET 3 3HE MET 3 -11.841 -4.522 3.648 22 H THR 4 H THR 4 -17.326 1.703 2.380 23 HA THR 4 HA THR 4 -15.791 1.736 -0.209 24 HB THR 4 HB THR 4 -17.794 2.529 -1.294 25 HG1 THR 4 HG1 THR 4 -19.069 2.606 1.219 26 1HG2 THR 4 1HG2 THR 4 -19.457 0.769 -0.824 27 2HG2 THR 4 2HG2 THR 4 -17.831 0.050 -0.809 28 3HG2 THR 4 3HG2 THR 4 -18.684 0.363 0.724 29 H ASP 5 H ASP 5 -15.310 3.506 2.364 30 HA ASP 5 HA ASP 5 -14.495 5.967 0.864 31 1HB ASP 5 1HB ASP 5 -17.046 6.141 1.916 32 2HB ASP 5 2HB ASP 5 -16.117 6.732 3.274 33 H GLN 6 H GLN 6 -13.365 3.710 2.399 34 HA GLN 6 HA GLN 6 -12.034 4.934 4.821 35 1HB GLN 6 1HB GLN 6 -12.606 2.327 4.231 36 2HB GLN 6 2HB GLN 6 -10.985 2.396 3.563 37 1HG GLN 6 1HG GLN 6 -10.250 1.887 5.644 38 2HG GLN 6 2HG GLN 6 -10.525 3.570 6.043 39 1HE2 GLN 6 1HE2 GLN 6 -12.851 0.667 7.777 40 2HE2 GLN 6 2HE2 GLN 6 -11.521 0.300 6.568 41 H GLN 7 H GLN 7 -11.405 4.236 1.424 42 HA GLN 7 HA GLN 7 -8.575 4.489 1.159 43 1HB GLN 7 1HB GLN 7 -9.325 5.766 -1.149 44 2HB GLN 7 2HB GLN 7 -9.306 4.027 -0.918 45 1HG GLN 7 1HG GLN 7 -11.690 3.891 -0.597 46 2HG GLN 7 2HG GLN 7 -11.856 5.609 -0.294 47 1HE2 GLN 7 1HE2 GLN 7 -12.066 4.207 -4.136 48 2HE2 GLN 7 2HE2 GLN 7 -11.795 3.119 -2.683 49 H ALA 8 H ALA 8 -11.025 7.087 1.217 50 HA ALA 8 HA ALA 8 -9.188 9.335 0.727 51 1HB ALA 8 1HB ALA 8 -11.878 9.653 2.137 52 2HB ALA 8 2HB ALA 8 -11.076 10.749 0.996 53 3HB ALA 8 3HB ALA 8 -11.799 9.229 0.411 54 H GLU 9 H GLU 9 -10.498 7.792 3.635 55 HA GLU 9 HA GLU 9 -9.961 9.686 5.692 56 1HB GLU 9 1HB GLU 9 -9.611 6.657 6.001 57 2HB GLU 9 2HB GLU 9 -9.799 7.810 7.307 58 1HG GLU 9 1HG GLU 9 -12.125 8.418 6.271 59 2HG GLU 9 2HG GLU 9 -11.912 7.041 5.203 60 H ALA 10 H ALA 10 -7.731 7.556 3.995 61 HA ALA 10 HA ALA 10 -5.422 7.717 5.775 62 1HB ALA 10 1HB ALA 10 -4.111 6.834 3.851 63 2HB ALA 10 2HB ALA 10 -5.635 5.951 4.054 64 3HB ALA 10 3HB ALA 10 -5.468 7.146 2.743 65 NH1 ARG 11 NH1 ARG 11 -5.684 14.184 -3.329 66 NH2 ARG 11 NH2 ARG 11 -4.723 12.194 -3.857 67 H ARG 11 H ARG 11 -6.086 9.417 2.693 68 HA ARG 11 HA ARG 11 -3.686 11.100 2.623 69 1HB ARG 11 1HB ARG 11 -6.334 11.095 1.146 70 2HB ARG 11 2HB ARG 11 -4.692 10.936 0.540 71 1HG ARG 11 1HG ARG 11 -5.831 13.585 1.614 72 2HG ARG 11 2HG ARG 11 -4.245 13.362 0.873 73 1HD ARG 11 1HD ARG 11 -6.884 12.750 -0.609 74 2HD ARG 11 2HD ARG 11 -6.078 14.316 -0.688 75 HE ARG 11 HE ARG 11 -4.248 12.072 -1.421 76 1HH1 ARG 11 1HH1 ARG 11 -5.788 14.313 -4.341 77 2HH1 ARG 11 2HH1 ARG 11 -5.952 14.848 -2.594 78 1HH2 ARG 11 1HH2 ARG 11 -4.254 11.343 -3.525 79 2HH2 ARG 11 2HH2 ARG 11 -4.897 12.459 -4.832 80 H ALA 12 H ALA 12 -6.895 11.493 4.032 81 HA ALA 12 HA ALA 12 -6.951 14.362 4.513 82 1HB ALA 12 1HB ALA 12 -8.702 13.898 6.216 83 2HB ALA 12 2HB ALA 12 -8.979 12.957 4.737 84 3HB ALA 12 3HB ALA 12 -8.316 12.160 6.186 85 H PHE 13 H PHE 13 -5.451 11.700 6.265 86 HA PHE 13 HA PHE 13 -4.817 13.277 8.723 87 1HB PHE 13 1HB PHE 13 -3.820 10.481 7.914 88 2HB PHE 13 2HB PHE 13 -5.330 10.784 8.731 89 HD1 PHE 13 HD1 PHE 13 -4.880 9.638 10.825 90 HD2 PHE 13 HD2 PHE 13 -2.118 12.643 9.457 91 HE1 PHE 13 HE1 PHE 13 -3.613 9.446 12.926 92 HE2 PHE 13 HE2 PHE 13 -0.862 12.432 11.561 93 HZ PHE 13 HZ PHE 13 -1.634 10.875 13.318 94 H LEU 14 H LEU 14 -3.046 11.918 5.951 95 HA LEU 14 HA LEU 14 -0.373 12.947 6.770 96 1HB LEU 14 1HB LEU 14 -1.059 12.033 3.934 97 2HB LEU 14 2HB LEU 14 0.489 11.989 4.750 98 HG LEU 14 HG LEU 14 -1.929 10.212 5.460 99 1HD1 LEU 14 1HD1 LEU 14 0.951 10.011 6.548 100 2HD1 LEU 14 2HD1 LEU 14 -0.406 10.720 7.443 101 3HD1 LEU 14 3HD1 LEU 14 -0.439 8.994 7.005 102 1HD2 LEU 14 1HD2 LEU 14 -0.719 8.348 4.405 103 2HD2 LEU 14 2HD2 LEU 14 -0.790 9.673 3.217 104 3HD2 LEU 14 3HD2 LEU 14 0.712 9.367 4.103 105 H SER 15 H SER 15 0.872 14.358 5.262 106 HA SER 15 HA SER 15 -0.753 16.832 4.531 107 1HB SER 15 1HB SER 15 2.265 16.927 4.630 108 2HB SER 15 2HB SER 15 1.410 16.679 6.154 109 HG SER 15 HG SER 15 1.751 18.902 4.843 110 H GLU 16 H GLU 16 1.084 18.042 2.850 111 HA GLU 16 HA GLU 16 0.520 16.641 0.243 112 1HB GLU 16 1HB GLU 16 1.222 19.447 1.048 113 2HB GLU 16 2HB GLU 16 1.830 18.935 -0.514 114 1HG GLU 16 1HG GLU 16 -1.043 19.359 0.383 115 2HG GLU 16 2HG GLU 16 -0.773 18.104 -0.814 116 H GLU 17 H GLU 17 3.274 17.752 2.170 117 HA GLU 17 HA GLU 17 5.342 16.863 0.174 118 1HB GLU 17 1HB GLU 17 5.526 18.923 1.746 119 2HB GLU 17 2HB GLU 17 5.930 17.793 3.023 120 1HG GLU 17 1HG GLU 17 8.019 17.164 1.995 121 2HG GLU 17 2HG GLU 17 7.533 17.740 0.410 122 H MET 18 H MET 18 3.916 15.772 3.207 123 HA MET 18 HA MET 18 5.657 13.547 3.884 124 1HB MET 18 1HB MET 18 3.883 14.419 5.420 125 2HB MET 18 2HB MET 18 2.633 13.776 4.371 126 1HG MET 18 1HG MET 18 2.962 11.556 5.062 127 2HG MET 18 2HG MET 18 4.691 11.779 5.370 128 1HE MET 18 1HE MET 18 5.775 12.222 7.313 129 2HE MET 18 2HE MET 18 5.308 13.884 7.780 130 3HE MET 18 3HE MET 18 5.092 12.539 8.939 131 H ILE 19 H ILE 19 2.960 13.866 1.625 132 HA ILE 19 HA ILE 19 2.675 11.012 0.872 133 HB ILE 19 HB ILE 19 1.758 13.581 -0.497 134 1HG1 ILE 19 1HG1 ILE 19 0.466 12.887 1.557 135 2HG1 ILE 19 2HG1 ILE 19 -0.511 12.883 0.104 136 1HG2 ILE 19 1HG2 ILE 19 0.540 12.200 -2.195 137 2HG2 ILE 19 2HG2 ILE 19 2.277 11.930 -2.321 138 3HG2 ILE 19 3HG2 ILE 19 1.254 10.710 -1.530 139 1HD1 ILE 19 1HD1 ILE 19 0.581 10.346 1.456 140 2HD1 ILE 19 2HD1 ILE 19 -1.099 10.920 1.413 141 3HD1 ILE 19 3HD1 ILE 19 -0.315 10.372 -0.088 142 H ALA 20 H ALA 20 4.447 13.817 -0.431 143 HA ALA 20 HA ALA 20 5.539 12.728 -2.846 144 1HB ALA 20 1HB ALA 20 6.425 14.922 -0.953 145 2HB ALA 20 2HB ALA 20 7.553 14.405 -2.221 146 3HB ALA 20 3HB ALA 20 5.941 15.023 -2.663 147 H GLU 21 H GLU 21 6.709 12.481 0.500 148 HA GLU 21 HA GLU 21 9.303 11.222 -0.070 149 1HB GLU 21 1HB GLU 21 9.470 10.780 2.333 150 2HB GLU 21 2HB GLU 21 7.759 11.077 2.571 151 1HG GLU 21 1HG GLU 21 7.996 13.468 2.205 152 2HG GLU 21 2HG GLU 21 9.282 12.983 3.298 153 H PHE 22 H PHE 22 6.060 10.019 0.618 154 HA PHE 22 HA PHE 22 6.662 7.194 1.110 155 1HB PHE 22 1HB PHE 22 4.154 6.941 0.174 156 2HB PHE 22 2HB PHE 22 4.133 8.681 0.276 157 HD1 PHE 22 HD1 PHE 22 4.297 5.520 2.236 158 HD2 PHE 22 HD2 PHE 22 4.241 9.815 2.526 159 HE1 PHE 22 HE1 PHE 22 3.704 5.363 4.617 160 HE2 PHE 22 HE2 PHE 22 3.715 9.635 4.923 161 HZ PHE 22 HZ PHE 22 3.388 7.415 5.959 162 H LYS 23 H LYS 23 5.711 8.989 -1.820 163 HA LYS 23 HA LYS 23 5.565 6.880 -3.759 164 1HB LYS 23 1HB LYS 23 5.953 8.539 -5.518 165 2HB LYS 23 2HB LYS 23 6.716 9.657 -4.408 166 1HG LYS 23 1HG LYS 23 3.750 8.848 -4.470 167 2HG LYS 23 2HG LYS 23 4.436 9.785 -3.157 168 1HD LYS 23 1HD LYS 23 5.239 11.456 -5.111 169 2HD LYS 23 2HD LYS 23 3.612 11.508 -4.451 170 1HE LYS 23 1HE LYS 23 4.287 9.905 -6.990 171 2HE LYS 23 2HE LYS 23 2.674 10.248 -6.362 172 1HZ LYS 23 1HZ LYS 23 2.802 12.432 -7.067 173 2HZ LYS 23 2HZ LYS 23 4.450 12.518 -7.001 174 3HZ LYS 23 3HZ LYS 23 3.714 11.708 -8.238 175 H ALA 24 H ALA 24 8.383 8.756 -2.652 176 HA ALA 24 HA ALA 24 10.420 7.891 -4.482 177 1HB ALA 24 1HB ALA 24 12.069 8.496 -2.721 178 2HB ALA 24 2HB ALA 24 10.788 9.716 -2.846 179 3HB ALA 24 3HB ALA 24 10.783 8.556 -1.492 180 H ALA 25 H ALA 25 9.513 6.464 -1.329 181 HA ALA 25 HA ALA 25 11.479 4.288 -1.305 182 1HB ALA 25 1HB ALA 25 10.140 3.356 0.574 183 2HB ALA 25 2HB ALA 25 10.403 5.099 0.775 184 3HB ALA 25 3HB ALA 25 8.815 4.496 0.237 185 H PHE 26 H PHE 26 8.213 4.617 -2.574 186 HA PHE 26 HA PHE 26 7.527 1.805 -2.937 187 1HB PHE 26 1HB PHE 26 6.009 3.968 -3.049 188 2HB PHE 26 2HB PHE 26 6.429 4.026 -4.740 189 HD1 PHE 26 HD1 PHE 26 3.842 3.102 -2.722 190 HD2 PHE 26 HD2 PHE 26 6.339 1.234 -5.686 191 HE1 PHE 26 HE1 PHE 26 2.025 1.539 -3.284 192 HE2 PHE 26 HE2 PHE 26 4.513 -0.325 -6.228 193 HZ PHE 26 HZ PHE 26 2.358 -0.179 -5.030 194 H ASP 27 H ASP 27 9.080 4.213 -5.031 195 HA ASP 27 HA ASP 27 9.215 2.561 -7.466 196 1HB ASP 27 1HB ASP 27 10.976 4.998 -6.843 197 2HB ASP 27 2HB ASP 27 9.323 5.115 -7.401 198 H MET 28 H MET 28 11.250 2.961 -4.651 199 HA MET 28 HA MET 28 13.840 2.128 -5.469 200 1HB MET 28 1HB MET 28 12.408 1.444 -2.844 201 2HB MET 28 2HB MET 28 14.073 0.990 -3.156 202 1HG MET 28 1HG MET 28 13.138 3.920 -3.338 203 2HG MET 28 2HG MET 28 13.703 3.181 -1.831 204 1HE MET 28 1HE MET 28 16.517 1.424 -2.443 205 2HE MET 28 2HE MET 28 17.387 2.920 -1.990 206 3HE MET 28 3HE MET 28 15.841 2.512 -1.189 207 H PHE 29 H PHE 29 10.959 0.158 -4.926 208 HA PHE 29 HA PHE 29 12.431 -2.420 -5.687 209 1HB PHE 29 1HB PHE 29 10.270 -3.586 -4.969 210 2HB PHE 29 2HB PHE 29 9.625 -2.044 -4.477 211 HD1 PHE 29 HD1 PHE 29 10.422 -0.873 -2.435 212 HD2 PHE 29 HD2 PHE 29 12.099 -4.671 -3.574 213 HE1 PHE 29 HE1 PHE 29 11.439 -1.107 -0.206 214 HE2 PHE 29 HE2 PHE 29 13.102 -4.886 -1.337 215 HZ PHE 29 HZ PHE 29 12.770 -3.113 0.349 216 H ASP 30 H ASP 30 9.808 -0.227 -6.562 217 HA ASP 30 HA ASP 30 8.967 -1.838 -8.963 218 1HB ASP 30 1HB ASP 30 7.950 0.859 -7.907 219 2HB ASP 30 2HB ASP 30 7.200 -0.706 -7.696 220 H ALA 31 H ALA 31 10.966 -1.850 -10.048 221 HA ALA 31 HA ALA 31 12.643 0.360 -10.826 222 1HB ALA 31 1HB ALA 31 13.482 -1.126 -12.650 223 2HB ALA 31 2HB ALA 31 13.332 -1.996 -11.111 224 3HB ALA 31 3HB ALA 31 12.125 -2.250 -12.398 225 H ASP 32 H ASP 32 10.668 -1.309 -13.249 226 HA ASP 32 HA ASP 32 9.435 1.298 -14.220 227 1HB ASP 32 1HB ASP 32 9.954 0.379 -16.679 228 2HB ASP 32 2HB ASP 32 11.283 -0.443 -15.896 229 H GLY 33 H GLY 33 7.396 0.807 -13.821 230 1HA GLY 33 1HA GLY 33 5.882 -1.495 -13.523 231 2HA GLY 33 2HA GLY 33 6.081 -1.512 -15.278 232 H GLY 34 H GLY 34 5.011 0.583 -12.603 233 1HA GLY 34 1HA GLY 34 3.573 2.608 -14.202 234 2HA GLY 34 2HA GLY 34 2.441 1.330 -13.746 235 H GLY 35 H GLY 35 2.765 0.621 -11.338 236 1HA GLY 35 1HA GLY 35 3.622 2.346 -9.186 237 2HA GLY 35 2HA GLY 35 2.023 2.944 -9.642 238 H ASP 36 H ASP 36 3.513 -0.283 -9.306 239 HA ASP 36 HA ASP 36 1.688 -1.134 -7.090 240 1HB ASP 36 1HB ASP 36 0.386 -2.808 -8.175 241 2HB ASP 36 2HB ASP 36 0.177 -1.337 -9.095 242 H ILE 37 H ILE 37 2.273 -3.165 -6.243 243 HA ILE 37 HA ILE 37 4.744 -4.597 -7.289 244 HB ILE 37 HB ILE 37 5.862 -4.543 -5.045 245 1HG1 ILE 37 1HG1 ILE 37 3.589 -2.666 -4.346 246 2HG1 ILE 37 2HG1 ILE 37 5.179 -2.130 -3.845 247 1HG2 ILE 37 1HG2 ILE 37 7.019 -2.365 -5.443 248 2HG2 ILE 37 2HG2 ILE 37 6.674 -3.163 -6.984 249 3HG2 ILE 37 3HG2 ILE 37 5.670 -1.792 -6.455 250 1HD1 ILE 37 1HD1 ILE 37 5.574 -4.164 -2.490 251 2HD1 ILE 37 2HD1 ILE 37 4.037 -3.398 -2.036 252 3HD1 ILE 37 3HD1 ILE 37 4.028 -4.864 -3.042 253 H SER 38 H SER 38 5.119 -6.542 -5.790 254 HA SER 38 HA SER 38 2.630 -8.129 -5.564 255 1HB SER 38 1HB SER 38 5.262 -8.792 -5.952 256 2HB SER 38 2HB SER 38 5.114 -9.179 -4.236 257 HG SER 38 HG SER 38 3.654 -10.171 -6.430 258 H THR 39 H THR 39 2.000 -9.251 -3.594 259 HA THR 39 HA THR 39 1.589 -7.386 -1.301 260 HB THR 39 HB THR 39 0.218 -9.168 -0.272 261 HG1 THR 39 HG1 THR 39 1.623 -10.737 -1.762 262 1HG2 THR 39 1HG2 THR 39 -1.627 -9.249 -1.892 263 2HG2 THR 39 2HG2 THR 39 -0.882 -7.635 -1.959 264 3HG2 THR 39 3HG2 THR 39 -0.544 -8.830 -3.239 265 H LYS 40 H LYS 40 3.592 -10.175 -2.051 266 HA LYS 40 HA LYS 40 4.434 -10.895 0.670 267 1HB LYS 40 1HB LYS 40 5.215 -11.667 -2.105 268 2HB LYS 40 2HB LYS 40 4.956 -12.666 -0.691 269 1HG LYS 40 1HG LYS 40 7.503 -11.047 -1.299 270 2HG LYS 40 2HG LYS 40 7.267 -11.988 0.160 271 1HD LYS 40 1HD LYS 40 6.918 -14.070 -1.433 272 2HD LYS 40 2HD LYS 40 7.504 -13.023 -2.716 273 1HE LYS 40 1HE LYS 40 9.599 -13.736 -2.190 274 2HE LYS 40 2HE LYS 40 9.521 -12.657 -0.796 275 1HZ LYS 40 1HZ LYS 40 9.834 -15.365 -0.712 276 2HZ LYS 40 2HZ LYS 40 9.419 -14.416 0.575 277 3HZ LYS 40 3HZ LYS 40 8.246 -15.193 -0.291 278 H GLU 41 H GLU 41 5.581 -8.610 -1.751 279 HA GLU 41 HA GLU 41 8.123 -7.944 -0.287 280 1HB GLU 41 1HB GLU 41 7.351 -6.162 -2.545 281 2HB GLU 41 2HB GLU 41 8.874 -6.951 -2.184 282 1HG GLU 41 1HG GLU 41 6.584 -7.894 -3.906 283 2HG GLU 41 2HG GLU 41 7.330 -9.156 -2.939 284 H LEU 42 H LEU 42 5.006 -6.415 -1.049 285 HA LEU 42 HA LEU 42 5.159 -3.788 -0.214 286 1HB LEU 42 1HB LEU 42 3.015 -4.342 -0.882 287 2HB LEU 42 2HB LEU 42 2.978 -5.847 0.012 288 HG LEU 42 HG LEU 42 2.849 -4.261 2.176 289 1HD1 LEU 42 1HD1 LEU 42 0.372 -4.553 0.360 290 2HD1 LEU 42 2HD1 LEU 42 1.050 -5.880 1.317 291 3HD1 LEU 42 3HD1 LEU 42 0.399 -4.440 2.139 292 1HD2 LEU 42 1HD2 LEU 42 1.709 -2.101 1.815 293 2HD2 LEU 42 2HD2 LEU 42 3.203 -2.107 0.845 294 3HD2 LEU 42 3HD2 LEU 42 1.638 -2.372 0.055 295 H GLY 43 H GLY 43 4.942 -6.610 1.936 296 1HA GLY 43 1HA GLY 43 4.931 -5.487 4.578 297 2HA GLY 43 2HA GLY 43 5.813 -6.960 4.163 298 H THR 44 H THR 44 7.933 -6.613 3.011 299 HA THR 44 HA THR 44 9.892 -5.478 4.594 300 HB THR 44 HB THR 44 9.938 -5.945 1.597 301 HG1 THR 44 HG1 THR 44 11.230 -7.599 2.227 302 1HG2 THR 44 1HG2 THR 44 12.418 -5.633 1.586 303 2HG2 THR 44 2HG2 THR 44 11.579 -4.095 1.878 304 3HG2 THR 44 3HG2 THR 44 12.354 -4.956 3.233 305 H VAL 45 H VAL 45 7.867 -3.768 2.316 306 HA VAL 45 HA VAL 45 9.435 -1.323 1.966 307 HB VAL 45 HB VAL 45 6.393 -1.550 1.710 308 1HG1 VAL 45 1HG1 VAL 45 8.450 -1.951 -0.551 309 2HG1 VAL 45 2HG1 VAL 45 7.669 -3.290 0.300 310 3HG1 VAL 45 3HG1 VAL 45 6.680 -2.149 -0.639 311 1HG2 VAL 45 1HG2 VAL 45 6.482 0.368 0.204 312 2HG2 VAL 45 2HG2 VAL 45 7.360 0.847 1.675 313 3HG2 VAL 45 3HG2 VAL 45 8.265 0.398 0.222 314 H MET 46 H MET 46 6.598 -2.027 4.042 315 HA MET 46 HA MET 46 6.578 0.524 5.478 316 1HB MET 46 1HB MET 46 4.524 -0.683 5.487 317 2HB MET 46 2HB MET 46 5.080 -0.657 7.151 318 1HG MET 46 1HG MET 46 5.044 -3.047 5.230 319 2HG MET 46 2HG MET 46 6.072 -3.065 6.672 320 1HE MET 46 1HE MET 46 2.628 -1.725 5.549 321 2HE MET 46 2HE MET 46 1.475 -2.333 6.774 322 3HE MET 46 3HE MET 46 2.528 -0.940 7.157 323 NH1 ARG 47 NH1 ARG 47 13.950 -4.873 8.612 324 NH2 ARG 47 NH2 ARG 47 14.441 -6.377 10.243 325 H ARG 47 H ARG 47 8.209 -2.551 6.011 326 HA ARG 47 HA ARG 47 9.023 -2.087 8.846 327 1HB ARG 47 1HB ARG 47 8.755 -4.380 7.559 328 2HB ARG 47 2HB ARG 47 10.369 -4.062 6.939 329 1HG ARG 47 1HG ARG 47 9.537 -4.624 9.816 330 2HG ARG 47 2HG ARG 47 10.998 -3.676 9.531 331 1HD ARG 47 1HD ARG 47 10.451 -6.593 8.820 332 2HD ARG 47 2HD ARG 47 11.560 -5.697 7.784 333 HE ARG 47 HE ARG 47 12.009 -6.194 10.761 334 1HH1 ARG 47 1HH1 ARG 47 14.965 -4.806 8.477 335 2HH1 ARG 47 2HH1 ARG 47 13.226 -4.359 8.098 336 1HH2 ARG 47 1HH2 ARG 47 14.101 -6.936 11.033 337 2HH2 ARG 47 2HH2 ARG 47 15.415 -6.275 9.935 338 H MET 48 H MET 48 10.363 -1.444 5.661 339 HA MET 48 HA MET 48 13.132 -0.809 6.666 340 1HB MET 48 1HB MET 48 12.075 -0.378 3.815 341 2HB MET 48 2HB MET 48 12.592 -1.948 4.405 342 1HG MET 48 1HG MET 48 14.490 0.469 4.544 343 2HG MET 48 2HG MET 48 14.900 -1.251 4.641 344 1HE MET 48 1HE MET 48 16.443 0.004 1.179 345 2HE MET 48 2HE MET 48 16.492 0.547 2.882 346 3HE MET 48 3HE MET 48 16.772 -1.174 2.488 347 H LEU 49 H LEU 49 10.439 0.795 7.177 348 HA LEU 49 HA LEU 49 11.554 3.585 6.573 349 1HB LEU 49 1HB LEU 49 8.720 2.594 7.194 350 2HB LEU 49 2HB LEU 49 9.153 4.279 7.388 351 HG LEU 49 HG LEU 49 9.628 2.844 4.713 352 1HD1 LEU 49 1HD1 LEU 49 9.070 5.821 5.303 353 2HD1 LEU 49 2HD1 LEU 49 10.691 5.132 5.102 354 3HD1 LEU 49 3HD1 LEU 49 9.545 5.110 3.739 355 1HD2 LEU 49 1HD2 LEU 49 7.397 3.495 3.910 356 2HD2 LEU 49 2HD2 LEU 49 7.167 2.565 5.411 357 3HD2 LEU 49 3HD2 LEU 49 7.022 4.328 5.439 358 H GLY 50 H GLY 50 10.395 1.351 9.052 359 1HA GLY 50 1HA GLY 50 12.121 1.628 11.150 360 2HA GLY 50 2HA GLY 50 11.318 3.194 11.305 361 H GLN 51 H GLN 51 10.086 -0.062 10.531 362 HA GLN 51 HA GLN 51 8.129 0.088 12.900 363 1HB GLN 51 1HB GLN 51 7.832 -1.272 10.166 364 2HB GLN 51 2HB GLN 51 6.855 -1.736 11.548 365 1HG GLN 51 1HG GLN 51 6.313 0.905 11.683 366 2HG GLN 51 2HG GLN 51 6.816 0.894 10.005 367 1HE2 GLN 51 1HE2 GLN 51 3.057 0.181 10.311 368 2HE2 GLN 51 2HE2 GLN 51 4.200 1.525 10.816 369 H ASN 52 H ASN 52 7.466 -2.489 13.174 370 HA ASN 52 HA ASN 52 9.862 -4.266 13.383 371 1HB ASN 52 1HB ASN 52 9.808 -2.443 15.357 372 2HB ASN 52 2HB ASN 52 8.680 -3.556 16.099 373 1HD2 ASN 52 1HD2 ASN 52 11.338 -5.892 16.925 374 2HD2 ASN 52 2HD2 ASN 52 9.537 -5.543 16.899 375 HA PRO 53 HA PRO 53 5.396 -6.094 14.013 376 1HB PRO 53 1HB PRO 53 4.331 -4.649 12.453 377 2HB PRO 53 2HB PRO 53 4.207 -6.199 11.596 378 1HG PRO 53 1HG PRO 53 5.435 -4.073 10.416 379 2HG PRO 53 2HG PRO 53 5.977 -5.735 10.086 380 1HD PRO 53 1HD PRO 53 7.351 -3.564 11.595 381 2HD PRO 53 2HD PRO 53 8.025 -5.132 11.055 382 H THR 54 H THR 54 4.430 -8.198 13.337 383 HA THR 54 HA THR 54 6.559 -10.281 13.116 384 HB THR 54 HB THR 54 3.695 -11.159 13.043 385 HG1 THR 54 HG1 THR 54 4.868 -9.675 15.128 386 1HG2 THR 54 1HG2 THR 54 4.437 -12.769 14.768 387 2HG2 THR 54 2HG2 THR 54 5.540 -12.832 13.374 388 3HG2 THR 54 3HG2 THR 54 6.036 -11.994 14.867 389 H LYS 55 H LYS 55 6.518 -11.994 11.565 390 HA LYS 55 HA LYS 55 6.061 -11.106 8.732 391 1HB LYS 55 1HB LYS 55 6.812 -13.969 9.438 392 2HB LYS 55 2HB LYS 55 7.979 -12.709 9.778 393 1HG LYS 55 1HG LYS 55 6.770 -12.708 7.000 394 2HG LYS 55 2HG LYS 55 8.385 -12.257 7.509 395 1HD LYS 55 1HD LYS 55 7.821 -15.181 7.902 396 2HD LYS 55 2HD LYS 55 7.623 -14.648 6.241 397 1HE LYS 55 1HE LYS 55 10.036 -13.440 6.736 398 2HE LYS 55 2HE LYS 55 10.172 -14.776 7.880 399 1HZ LYS 55 1HZ LYS 55 10.911 -15.826 6.031 400 2HZ LYS 55 2HZ LYS 55 9.311 -16.075 5.701 401 3HZ LYS 55 3HZ LYS 55 10.123 -14.837 4.968 402 H GLU 56 H GLU 56 4.559 -13.175 11.150 403 HA GLU 56 HA GLU 56 2.677 -14.524 9.221 404 1HB GLU 56 1HB GLU 56 3.658 -15.775 11.151 405 2HB GLU 56 2HB GLU 56 2.814 -14.730 12.275 406 1HG GLU 56 1HG GLU 56 0.614 -15.593 11.569 407 2HG GLU 56 2HG GLU 56 1.310 -16.431 10.193 408 H GLU 57 H GLU 57 2.718 -11.950 11.620 409 HA GLU 57 HA GLU 57 -0.166 -11.297 11.616 410 1HB GLU 57 1HB GLU 57 0.314 -9.474 12.961 411 2HB GLU 57 2HB GLU 57 1.642 -10.555 13.335 412 1HG GLU 57 1HG GLU 57 3.257 -9.203 12.217 413 2HG GLU 57 2HG GLU 57 2.071 -8.448 11.165 414 H LEU 58 H LEU 58 2.665 -10.127 9.801 415 HA LEU 58 HA LEU 58 1.275 -8.131 8.131 416 1HB LEU 58 1HB LEU 58 3.878 -8.528 8.575 417 2HB LEU 58 2HB LEU 58 3.780 -9.607 7.200 418 HG LEU 58 HG LEU 58 3.447 -7.880 5.645 419 1HD1 LEU 58 1HD1 LEU 58 4.963 -6.324 7.834 420 2HD1 LEU 58 2HD1 LEU 58 5.696 -7.612 6.866 421 3HD1 LEU 58 3HD1 LEU 58 5.113 -6.130 6.068 422 1HD2 LEU 58 1HD2 LEU 58 2.459 -5.656 6.074 423 2HD2 LEU 58 2HD2 LEU 58 1.386 -6.888 6.785 424 3HD2 LEU 58 3HD2 LEU 58 2.458 -5.941 7.833 425 H ASP 59 H ASP 59 1.911 -11.588 7.897 426 HA ASP 59 HA ASP 59 0.887 -12.086 5.192 427 1HB ASP 59 1HB ASP 59 1.225 -13.924 7.611 428 2HB ASP 59 2HB ASP 59 0.417 -14.486 6.166 429 H ALA 60 H ALA 60 -0.612 -11.753 8.367 430 HA ALA 60 HA ALA 60 -3.302 -12.713 7.751 431 1HB ALA 60 1HB ALA 60 -3.999 -11.521 9.823 432 2HB ALA 60 2HB ALA 60 -2.505 -12.442 10.078 433 3HB ALA 60 3HB ALA 60 -2.438 -10.671 9.898 434 H ILE 61 H ILE 61 -2.015 -9.372 7.948 435 HA ILE 61 HA ILE 61 -4.253 -7.841 7.181 436 HB ILE 61 HB ILE 61 -1.300 -7.318 6.688 437 1HG1 ILE 61 1HG1 ILE 61 -3.225 -6.694 8.858 438 2HG1 ILE 61 2HG1 ILE 61 -2.516 -5.222 8.231 439 1HG2 ILE 61 1HG2 ILE 61 -1.833 -5.002 5.885 440 2HG2 ILE 61 2HG2 ILE 61 -2.476 -6.209 4.774 441 3HG2 ILE 61 3HG2 ILE 61 -3.573 -5.378 5.900 442 1HD1 ILE 61 1HD1 ILE 61 -0.206 -5.990 8.698 443 2HD1 ILE 61 2HD1 ILE 61 -1.214 -6.103 10.156 444 3HD1 ILE 61 3HD1 ILE 61 -0.819 -7.576 9.240 445 H ILE 62 H ILE 62 -1.985 -9.714 5.231 446 HA ILE 62 HA ILE 62 -2.736 -8.777 2.544 447 HB ILE 62 HB ILE 62 -1.339 -11.311 3.500 448 1HG1 ILE 62 1HG1 ILE 62 0.497 -10.204 1.880 449 2HG1 ILE 62 2HG1 ILE 62 0.334 -9.692 3.547 450 1HG2 ILE 62 1HG2 ILE 62 -0.939 -11.975 1.115 451 2HG2 ILE 62 2HG2 ILE 62 -2.664 -11.983 1.473 452 3HG2 ILE 62 3HG2 ILE 62 -1.965 -10.634 0.549 453 1HD1 ILE 62 1HD1 ILE 62 -0.932 -7.654 2.927 454 2HD1 ILE 62 2HD1 ILE 62 0.592 -7.746 2.021 455 3HD1 ILE 62 3HD1 ILE 62 -0.939 -8.152 1.212 456 H GLU 63 H GLU 63 -3.766 -11.547 4.541 457 HA GLU 63 HA GLU 63 -5.605 -12.874 2.832 458 1HB GLU 63 1HB GLU 63 -6.302 -12.483 5.773 459 2HB GLU 63 2HB GLU 63 -4.894 -13.415 5.304 460 1HG GLU 63 1HG GLU 63 -6.634 -15.030 5.624 461 2HG GLU 63 2HG GLU 63 -7.847 -14.050 4.818 462 H GLU 64 H GLU 64 -6.070 -9.919 4.717 463 HA GLU 64 HA GLU 64 -8.981 -9.649 4.199 464 1HB GLU 64 1HB GLU 64 -7.535 -8.679 6.183 465 2HB GLU 64 2HB GLU 64 -7.225 -7.332 5.105 466 1HG GLU 64 1HG GLU 64 -9.917 -8.223 6.283 467 2HG GLU 64 2HG GLU 64 -9.875 -7.189 4.866 468 H VAL 65 H VAL 65 -6.004 -8.310 2.823 469 HA VAL 65 HA VAL 65 -7.556 -6.619 0.827 470 HB VAL 65 HB VAL 65 -4.931 -6.036 0.263 471 1HG1 VAL 65 1HG1 VAL 65 -4.930 -6.361 3.333 472 2HG1 VAL 65 2HG1 VAL 65 -4.137 -7.493 2.221 473 3HG1 VAL 65 3HG1 VAL 65 -3.592 -5.801 2.299 474 1HG2 VAL 65 1HG2 VAL 65 -5.276 -3.881 1.374 475 2HG2 VAL 65 2HG2 VAL 65 -6.871 -4.399 0.777 476 3HG2 VAL 65 3HG2 VAL 65 -6.481 -4.563 2.494 477 H ASP 66 H ASP 66 -7.389 -9.579 0.767 478 HA ASP 66 HA ASP 66 -6.677 -10.007 -2.109 479 1HB ASP 66 1HB ASP 66 -4.451 -10.137 -0.650 480 2HB ASP 66 2HB ASP 66 -5.045 -11.714 -0.185 481 H GLU 67 H GLU 67 -9.040 -10.173 -0.762 482 HA GLU 67 HA GLU 67 -9.761 -12.959 0.056 483 1HB GLU 67 1HB GLU 67 -10.947 -10.620 0.625 484 2HB GLU 67 2HB GLU 67 -11.863 -10.962 -0.829 485 1HG GLU 67 1HG GLU 67 -12.138 -13.403 0.469 486 2HG GLU 67 2HG GLU 67 -11.933 -12.349 1.858 487 H ASP 68 H ASP 68 -10.527 -10.882 -2.760 488 HA ASP 68 HA ASP 68 -9.970 -13.097 -4.700 489 1HB ASP 68 1HB ASP 68 -12.050 -13.638 -5.507 490 2HB ASP 68 2HB ASP 68 -12.447 -13.390 -3.823 491 H GLY 69 H GLY 69 -11.050 -12.103 -6.957 492 1HA GLY 69 1HA GLY 69 -11.135 -9.252 -7.499 493 2HA GLY 69 2HA GLY 69 -10.682 -10.477 -8.689 494 H SER 70 H SER 70 -9.592 -7.956 -6.714 495 HA SER 70 HA SER 70 -7.111 -7.467 -8.023 496 1HB SER 70 1HB SER 70 -6.500 -6.204 -5.782 497 2HB SER 70 2HB SER 70 -7.834 -5.641 -6.794 498 HG SER 70 HG SER 70 -8.580 -5.748 -4.761 499 H GLY 71 H GLY 71 -5.318 -8.601 -8.138 500 1HA GLY 71 1HA GLY 71 -4.637 -10.771 -6.099 501 2HA GLY 71 2HA GLY 71 -3.938 -10.629 -7.715 502 H THR 72 H THR 72 -3.361 -7.840 -7.628 503 HA THR 72 HA THR 72 -0.843 -7.934 -5.951 504 HB THR 72 HB THR 72 0.245 -6.485 -7.401 505 HG1 THR 72 HG1 THR 72 -2.291 -5.765 -8.405 506 1HG2 THR 72 1HG2 THR 72 0.282 -8.316 -8.845 507 2HG2 THR 72 2HG2 THR 72 -1.486 -8.396 -9.010 508 3HG2 THR 72 3HG2 THR 72 -0.562 -7.152 -9.891 509 H ILE 73 H ILE 73 -0.311 -5.182 -5.846 510 HA ILE 73 HA ILE 73 -2.618 -3.874 -4.446 511 HB ILE 73 HB ILE 73 -1.230 -5.246 -2.735 512 1HG1 ILE 73 1HG1 ILE 73 -1.695 -2.376 -1.822 513 2HG1 ILE 73 2HG1 ILE 73 -3.042 -3.312 -2.444 514 1HG2 ILE 73 1HG2 ILE 73 0.683 -4.163 -1.616 515 2HG2 ILE 73 2HG2 ILE 73 1.080 -4.400 -3.323 516 3HG2 ILE 73 3HG2 ILE 73 0.629 -2.781 -2.735 517 1HD1 ILE 73 1HD1 ILE 73 -3.176 -3.706 -0.101 518 2HD1 ILE 73 2HD1 ILE 73 -2.373 -5.171 -0.704 519 3HD1 ILE 73 3HD1 ILE 73 -1.410 -3.896 0.078 520 H ASP 74 H ASP 74 -2.390 -1.604 -4.267 521 HA ASP 74 HA ASP 74 -0.197 -0.350 -6.017 522 1HB ASP 74 1HB ASP 74 -1.598 0.894 -7.216 523 2HB ASP 74 2HB ASP 74 -2.543 1.338 -5.825 524 H PHE 75 H PHE 75 -0.710 2.264 -5.505 525 HA PHE 75 HA PHE 75 0.686 2.539 -2.880 526 1HB PHE 75 1HB PHE 75 0.073 4.595 -5.081 527 2HB PHE 75 2HB PHE 75 1.567 3.721 -4.867 528 HD1 PHE 75 HD1 PHE 75 -0.466 6.585 -3.729 529 HD2 PHE 75 HD2 PHE 75 3.046 4.273 -2.812 530 HE1 PHE 75 HE1 PHE 75 0.475 8.488 -2.485 531 HE2 PHE 75 HE2 PHE 75 3.950 6.175 -1.535 532 HZ PHE 75 HZ PHE 75 2.657 8.270 -1.344 533 H GLU 76 H GLU 76 -2.472 3.172 -4.250 534 HA GLU 76 HA GLU 76 -3.458 5.177 -2.348 535 1HB GLU 76 1HB GLU 76 -4.412 4.504 -4.689 536 2HB GLU 76 2HB GLU 76 -5.476 5.100 -3.431 537 1HG GLU 76 1HG GLU 76 -6.310 3.074 -4.806 538 2HG GLU 76 2HG GLU 76 -5.093 2.094 -4.005 539 H GLU 77 H GLU 77 -3.893 1.645 -2.568 540 HA GLU 77 HA GLU 77 -5.250 1.252 0.034 541 1HB GLU 77 1HB GLU 77 -3.567 -0.898 -1.321 542 2HB GLU 77 2HB GLU 77 -5.092 -0.384 -2.014 543 1HG GLU 77 1HG GLU 77 -5.008 -2.484 -0.389 544 2HG GLU 77 2HG GLU 77 -4.963 -1.306 0.913 545 H PHE 78 H PHE 78 -1.936 1.633 -1.022 546 HA PHE 78 HA PHE 78 -0.552 0.431 1.259 547 1HB PHE 78 1HB PHE 78 0.836 0.632 -0.599 548 2HB PHE 78 2HB PHE 78 0.252 2.211 -1.050 549 HD1 PHE 78 HD1 PHE 78 2.183 0.598 1.817 550 HD2 PHE 78 HD2 PHE 78 1.663 4.103 -0.623 551 HE1 PHE 78 HE1 PHE 78 4.296 1.521 2.675 552 HE2 PHE 78 HE2 PHE 78 3.770 5.019 0.260 553 HZ PHE 78 HZ PHE 78 5.061 3.756 1.948 554 H LEU 79 H LEU 79 -1.687 3.721 0.569 555 HA LEU 79 HA LEU 79 -0.493 4.926 3.066 556 1HB LEU 79 1HB LEU 79 -1.753 7.011 2.372 557 2HB LEU 79 2HB LEU 79 -0.519 6.456 1.262 558 HG LEU 79 HG LEU 79 -2.541 5.301 -0.052 559 1HD1 LEU 79 1HD1 LEU 79 -2.234 8.369 -0.121 560 2HD1 LEU 79 2HD1 LEU 79 -1.097 7.236 -0.873 561 3HD1 LEU 79 3HD1 LEU 79 -2.779 7.317 -1.452 562 1HD2 LEU 79 1HD2 LEU 79 -4.727 6.403 0.165 563 2HD2 LEU 79 2HD2 LEU 79 -4.267 5.829 1.787 564 3HD2 LEU 79 3HD2 LEU 79 -4.102 7.544 1.382 565 H VAL 80 H VAL 80 -3.534 3.631 1.872 566 HA VAL 80 HA VAL 80 -5.344 4.448 4.001 567 HB VAL 80 HB VAL 80 -5.657 2.977 1.678 568 1HG1 VAL 80 1HG1 VAL 80 -7.798 3.120 3.891 569 2HG1 VAL 80 2HG1 VAL 80 -7.345 4.511 2.896 570 3HG1 VAL 80 3HG1 VAL 80 -8.048 3.070 2.126 571 1HG2 VAL 80 1HG2 VAL 80 -6.680 0.806 2.176 572 2HG2 VAL 80 2HG2 VAL 80 -5.050 0.789 2.890 573 3HG2 VAL 80 3HG2 VAL 80 -6.463 1.028 3.929 574 H MET 81 H MET 81 -2.977 1.848 3.698 575 HA MET 81 HA MET 81 -3.766 0.311 6.102 576 1HB MET 81 1HB MET 81 -1.723 -1.000 5.776 577 2HB MET 81 2HB MET 81 -1.031 0.217 4.719 578 1HG MET 81 1HG MET 81 -2.004 -0.717 2.879 579 2HG MET 81 2HG MET 81 -3.618 -0.631 3.603 580 1HE MET 81 1HE MET 81 -1.282 -2.616 1.994 581 2HE MET 81 2HE MET 81 -0.299 -3.233 3.355 582 3HE MET 81 3HE MET 81 -1.474 -4.310 2.545 583 H MET 82 H MET 82 -1.241 2.709 5.372 584 HA MET 82 HA MET 82 0.272 2.621 7.832 585 1HB MET 82 1HB MET 82 1.106 4.903 7.275 586 2HB MET 82 2HB MET 82 -0.160 5.104 6.078 587 1HG MET 82 1HG MET 82 1.323 4.306 4.533 588 2HG MET 82 2HG MET 82 1.093 2.700 5.241 589 1HE MET 82 1HE MET 82 2.616 1.367 5.759 590 2HE MET 82 2HE MET 82 4.207 1.801 5.067 591 3HE MET 82 3HE MET 82 4.025 1.620 6.837 592 H VAL 83 H VAL 83 -2.395 4.817 6.911 593 HA VAL 83 HA VAL 83 -2.618 6.314 9.398 594 HB VAL 83 HB VAL 83 -4.524 5.852 7.093 595 1HG1 VAL 83 1HG1 VAL 83 -6.274 7.291 8.154 596 2HG1 VAL 83 2HG1 VAL 83 -6.063 5.790 9.066 597 3HG1 VAL 83 3HG1 VAL 83 -5.365 7.304 9.687 598 1HG2 VAL 83 1HG2 VAL 83 -3.374 8.443 8.328 599 2HG2 VAL 83 2HG2 VAL 83 -2.795 7.655 6.843 600 3HG2 VAL 83 3HG2 VAL 83 -4.423 8.346 6.890 601 NH1 ARG 84 NH1 ARG 84 -9.000 -1.440 6.598 602 NH2 ARG 84 NH2 ARG 84 -6.962 -1.847 5.678 603 H ARG 84 H ARG 84 -4.031 3.250 8.310 604 HA ARG 84 HA ARG 84 -5.950 2.733 10.477 605 1HB ARG 84 1HB ARG 84 -4.390 0.537 9.006 606 2HB ARG 84 2HB ARG 84 -5.643 1.478 8.209 607 1HG ARG 84 1HG ARG 84 -5.959 -0.791 10.022 608 2HG ARG 84 2HG ARG 84 -6.794 0.599 10.716 609 1HD ARG 84 1HD ARG 84 -8.233 -0.836 9.146 610 2HD ARG 84 2HD ARG 84 -8.222 0.886 8.769 611 HE ARG 84 HE ARG 84 -6.273 0.131 7.026 612 1HH1 ARG 84 1HH1 ARG 84 -9.367 -2.061 5.868 613 2HH1 ARG 84 2HH1 ARG 84 -9.537 -0.983 7.343 614 1HH2 ARG 84 1HH2 ARG 84 -5.962 -1.619 5.651 615 2HH2 ARG 84 2HH2 ARG 84 -7.455 -2.521 5.082 616 H GLN 85 H GLN 85 -2.466 2.147 10.127 617 HA GLN 85 HA GLN 85 -2.189 0.430 12.553 618 1HB GLN 85 1HB GLN 85 -0.616 0.822 10.302 619 2HB GLN 85 2HB GLN 85 0.257 1.796 11.472 620 1HG GLN 85 1HG GLN 85 0.100 -0.360 13.040 621 2HG GLN 85 2HG GLN 85 1.338 -0.225 11.809 622 1HE2 GLN 85 1HE2 GLN 85 0.208 -3.531 10.882 623 2HE2 GLN 85 2HE2 GLN 85 1.452 -2.556 11.812 624 H MET 86 H MET 86 -1.823 3.840 11.755 625 HA MET 86 HA MET 86 -0.296 4.707 14.125 626 1HB MET 86 1HB MET 86 -1.836 6.158 11.950 627 2HB MET 86 2HB MET 86 -1.494 7.035 13.431 628 1HG MET 86 1HG MET 86 1.035 5.993 12.912 629 2HG MET 86 2HG MET 86 0.400 6.152 11.267 630 1HE MET 86 1HE MET 86 2.949 8.334 11.912 631 2HE MET 86 2HE MET 86 2.027 7.664 10.533 632 3HE MET 86 3HE MET 86 2.053 9.430 10.813 633 H LYS 87 H LYS 87 -3.711 4.314 13.365 634 HA LYS 87 HA LYS 87 -4.949 5.643 15.638 635 1HB LYS 87 1HB LYS 87 -6.044 4.488 13.490 636 2HB LYS 87 2HB LYS 87 -6.150 3.068 14.508 637 1HG LYS 87 1HG LYS 87 -7.288 4.877 16.224 638 2HG LYS 87 2HG LYS 87 -7.621 5.713 14.721 639 1HD LYS 87 1HD LYS 87 -9.555 4.290 15.391 640 2HD LYS 87 2HD LYS 87 -8.893 3.797 13.841 641 1HE LYS 87 1HE LYS 87 -9.422 1.787 15.158 642 2HE LYS 87 2HE LYS 87 -7.677 1.866 14.905 643 1HZ LYS 87 1HZ LYS 87 -8.645 1.392 17.255 644 2HZ LYS 87 2HZ LYS 87 -7.322 2.371 17.125 645 3HZ LYS 87 3HZ LYS 87 -8.816 3.031 17.371 646 H GLU 88 H GLU 88 -3.721 2.326 15.209 647 HA GLU 88 HA GLU 88 -3.154 2.019 18.129 648 1HB GLU 88 1HB GLU 88 -5.430 1.445 18.395 649 2HB GLU 88 2HB GLU 88 -5.502 0.525 16.905 650 1HG GLU 88 1HG GLU 88 -4.291 -1.362 17.882 651 2HG GLU 88 2HG GLU 88 -3.770 -0.418 19.267 652 H ASP 89 H ASP 89 -1.501 0.680 18.409 653 HA ASP 89 HA ASP 89 -0.194 -0.649 16.025 654 1HB ASP 89 1HB ASP 89 1.785 -0.958 17.373 655 2HB ASP 89 2HB ASP 89 0.933 -0.649 18.868 656 H ALA 90 H ALA 90 0.477 -2.855 16.125 657 HA ALA 90 HA ALA 90 0.172 -5.226 16.460 658 1HB ALA 90 1HB ALA 90 -1.175 -4.748 19.160 659 2HB ALA 90 2HB ALA 90 -0.031 -6.017 18.680 660 3HB ALA 90 3HB ALA 90 0.557 -4.366 18.995 Start of MODEL 20 Raw file had 660 H/Q atoms Start of MODEL 20 1 1H ALA 1 1H ALA 1 -20.492 -3.411 -2.840 2 2H ALA 1 2H ALA 1 -19.008 -4.202 -2.809 3 3H ALA 1 3H ALA 1 -20.084 -4.383 -1.530 4 HA ALA 1 HA ALA 1 -18.321 -2.167 -2.228 5 1HB ALA 1 1HB ALA 1 -20.725 -1.573 -0.442 6 2HB ALA 1 2HB ALA 1 -19.698 -0.448 -1.349 7 3HB ALA 1 3HB ALA 1 -20.906 -1.439 -2.207 8 H SER 2 H SER 2 -16.812 -2.045 -0.700 9 HA SER 2 HA SER 2 -17.198 -3.474 1.991 10 1HB SER 2 1HB SER 2 -14.666 -3.336 0.263 11 2HB SER 2 2HB SER 2 -14.709 -3.951 1.918 12 HG SER 2 HG SER 2 -16.124 -5.534 1.286 13 H MET 3 H MET 3 -14.475 -1.528 0.867 14 HA MET 3 HA MET 3 -15.157 0.731 2.828 15 1HB MET 3 1HB MET 3 -12.494 -0.783 2.638 16 2HB MET 3 2HB MET 3 -12.632 0.806 3.367 17 1HG MET 3 1HG MET 3 -14.579 -0.388 4.843 18 2HG MET 3 2HG MET 3 -12.867 -0.484 5.284 19 1HE MET 3 1HE MET 3 -12.749 -3.152 6.521 20 2HE MET 3 2HE MET 3 -14.327 -2.321 6.654 21 3HE MET 3 3HE MET 3 -14.264 -4.039 6.163 22 H THR 4 H THR 4 -15.903 1.274 0.500 23 HA THR 4 HA THR 4 -13.767 2.219 -1.394 24 HB THR 4 HB THR 4 -16.627 2.926 -1.954 25 HG1 THR 4 HG1 THR 4 -15.765 0.289 -2.344 26 1HG2 THR 4 1HG2 THR 4 -16.119 2.138 -4.235 27 2HG2 THR 4 2HG2 THR 4 -14.879 3.310 -3.737 28 3HG2 THR 4 3HG2 THR 4 -14.508 1.567 -3.748 29 H ASP 5 H ASP 5 -14.561 3.446 1.406 30 HA ASP 5 HA ASP 5 -14.525 6.365 0.471 31 1HB ASP 5 1HB ASP 5 -15.683 6.853 2.770 32 2HB ASP 5 2HB ASP 5 -16.637 6.338 1.398 33 H GLN 6 H GLN 6 -13.691 4.068 3.054 34 HA GLN 6 HA GLN 6 -11.863 5.521 4.715 35 1HB GLN 6 1HB GLN 6 -12.163 3.362 5.501 36 2HB GLN 6 2HB GLN 6 -12.114 2.637 3.905 37 1HG GLN 6 1HG GLN 6 -9.601 3.716 5.312 38 2HG GLN 6 2HG GLN 6 -9.638 2.810 3.813 39 1HE2 GLN 6 1HE2 GLN 6 -10.414 0.726 7.352 40 2HE2 GLN 6 2HE2 GLN 6 -10.889 2.490 7.188 41 H GLN 7 H GLN 7 -11.486 4.367 1.416 42 HA GLN 7 HA GLN 7 -8.672 4.297 0.980 43 1HB GLN 7 1HB GLN 7 -11.041 4.682 -0.758 44 2HB GLN 7 2HB GLN 7 -9.655 5.582 -1.349 45 1HG GLN 7 1HG GLN 7 -8.876 3.701 -2.315 46 2HG GLN 7 2HG GLN 7 -8.538 3.045 -0.727 47 1HE2 GLN 7 1HE2 GLN 7 -11.124 0.575 -0.977 48 2HE2 GLN 7 2HE2 GLN 7 -9.863 1.390 0.077 49 H ALA 8 H ALA 8 -10.664 7.155 0.135 50 HA ALA 8 HA ALA 8 -8.441 8.995 -0.243 51 1HB ALA 8 1HB ALA 8 -11.030 9.125 -0.932 52 2HB ALA 8 2HB ALA 8 -11.160 10.089 0.552 53 3HB ALA 8 3HB ALA 8 -10.059 10.606 -0.751 54 H GLU 9 H GLU 9 -10.315 8.085 2.591 55 HA GLU 9 HA GLU 9 -9.946 10.253 4.405 56 1HB GLU 9 1HB GLU 9 -9.947 7.277 5.138 57 2HB GLU 9 2HB GLU 9 -10.094 8.590 6.289 58 1HG GLU 9 1HG GLU 9 -12.103 8.482 3.990 59 2HG GLU 9 2HG GLU 9 -12.248 7.295 5.275 60 H ALA 10 H ALA 10 -7.701 7.671 3.506 61 HA ALA 10 HA ALA 10 -5.659 7.887 5.502 62 1HB ALA 10 1HB ALA 10 -4.101 6.896 3.831 63 2HB ALA 10 2HB ALA 10 -5.677 6.083 3.807 64 3HB ALA 10 3HB ALA 10 -5.250 7.232 2.514 65 NH1 ARG 11 NH1 ARG 11 -6.950 11.700 -1.710 66 NH2 ARG 11 NH2 ARG 11 -6.059 11.892 -3.791 67 H ARG 11 H ARG 11 -5.942 9.649 2.409 68 HA ARG 11 HA ARG 11 -3.503 11.232 2.502 69 1HB ARG 11 1HB ARG 11 -6.091 12.283 1.240 70 2HB ARG 11 2HB ARG 11 -5.233 10.912 0.551 71 1HG ARG 11 1HG ARG 11 -3.687 13.488 1.118 72 2HG ARG 11 2HG ARG 11 -3.284 12.186 -0.003 73 1HD ARG 11 1HD ARG 11 -5.861 13.792 -0.442 74 2HD ARG 11 2HD ARG 11 -4.316 14.486 -0.928 75 HE ARG 11 HE ARG 11 -4.013 12.568 -2.543 76 1HH1 ARG 11 1HH1 ARG 11 -7.750 11.259 -2.178 77 2HH1 ARG 11 2HH1 ARG 11 -6.832 11.845 -0.701 78 1HH2 ARG 11 1HH2 ARG 11 -5.272 12.202 -4.372 79 2HH2 ARG 11 2HH2 ARG 11 -6.911 11.419 -4.111 80 H ALA 12 H ALA 12 -6.712 11.723 3.889 81 HA ALA 12 HA ALA 12 -6.470 14.559 4.634 82 1HB ALA 12 1HB ALA 12 -8.461 14.173 6.070 83 2HB ALA 12 2HB ALA 12 -8.679 13.448 4.465 84 3HB ALA 12 3HB ALA 12 -8.309 12.411 5.865 85 H PHE 13 H PHE 13 -5.519 11.539 6.166 86 HA PHE 13 HA PHE 13 -5.076 12.654 8.887 87 1HB PHE 13 1HB PHE 13 -3.781 10.033 8.107 88 2HB PHE 13 2HB PHE 13 -5.517 10.104 7.951 89 HD1 PHE 13 HD1 PHE 13 -3.769 12.117 10.590 90 HD2 PHE 13 HD2 PHE 13 -5.853 8.441 9.766 91 HE1 PHE 13 HE1 PHE 13 -3.913 11.644 13.001 92 HE2 PHE 13 HE2 PHE 13 -5.978 7.983 12.179 93 HZ PHE 13 HZ PHE 13 -4.993 9.568 13.799 94 H LEU 14 H LEU 14 -3.136 11.931 6.033 95 HA LEU 14 HA LEU 14 -0.513 12.621 7.416 96 1HB LEU 14 1HB LEU 14 0.624 11.688 5.496 97 2HB LEU 14 2HB LEU 14 -0.820 11.712 4.508 98 HG LEU 14 HG LEU 14 -1.788 9.980 6.307 99 1HD1 LEU 14 1HD1 LEU 14 -0.900 8.081 4.947 100 2HD1 LEU 14 2HD1 LEU 14 -1.376 9.431 3.900 101 3HD1 LEU 14 3HD1 LEU 14 0.349 9.137 4.238 102 1HD2 LEU 14 1HD2 LEU 14 1.253 9.606 6.731 103 2HD2 LEU 14 2HD2 LEU 14 0.077 10.127 7.963 104 3HD2 LEU 14 3HD2 LEU 14 -0.019 8.491 7.293 105 H SER 15 H SER 15 1.005 13.913 5.933 106 HA SER 15 HA SER 15 -0.296 16.553 5.265 107 1HB SER 15 1HB SER 15 2.154 17.308 5.005 108 2HB SER 15 2HB SER 15 2.632 15.701 5.558 109 HG SER 15 HG SER 15 0.881 16.319 7.276 110 H GLU 16 H GLU 16 1.182 17.624 3.346 111 HA GLU 16 HA GLU 16 0.393 16.176 0.827 112 1HB GLU 16 1HB GLU 16 1.813 18.874 0.910 113 2HB GLU 16 2HB GLU 16 0.117 18.735 1.331 114 1HG GLU 16 1HG GLU 16 -0.042 19.286 -0.940 115 2HG GLU 16 2HG GLU 16 1.455 18.477 -1.371 116 H GLU 17 H GLU 17 3.299 17.262 2.517 117 HA GLU 17 HA GLU 17 5.216 16.324 0.392 118 1HB GLU 17 1HB GLU 17 5.904 17.283 3.218 119 2HB GLU 17 2HB GLU 17 7.023 17.041 1.891 120 1HG GLU 17 1HG GLU 17 6.782 19.283 1.507 121 2HG GLU 17 2HG GLU 17 5.266 18.867 0.725 122 H MET 18 H MET 18 3.913 15.258 3.487 123 HA MET 18 HA MET 18 5.631 13.038 4.203 124 1HB MET 18 1HB MET 18 3.720 13.919 5.620 125 2HB MET 18 2HB MET 18 2.580 13.138 4.539 126 1HG MET 18 1HG MET 18 4.112 10.934 5.153 127 2HG MET 18 2HG MET 18 2.698 11.439 6.092 128 1HE MET 18 1HE MET 18 6.228 10.103 7.007 129 2HE MET 18 2HE MET 18 5.501 10.208 8.637 130 3HE MET 18 3HE MET 18 4.528 9.599 7.266 131 H ILE 19 H ILE 19 3.010 13.335 1.846 132 HA ILE 19 HA ILE 19 2.752 10.494 1.094 133 HB ILE 19 HB ILE 19 1.868 13.080 -0.229 134 1HG1 ILE 19 1HG1 ILE 19 -0.309 12.498 0.392 135 2HG1 ILE 19 2HG1 ILE 19 -0.038 10.777 0.215 136 1HG2 ILE 19 1HG2 ILE 19 0.870 11.816 -2.147 137 2HG2 ILE 19 2HG2 ILE 19 2.624 11.638 -2.145 138 3HG2 ILE 19 3HG2 ILE 19 1.604 10.303 -1.562 139 1HD1 ILE 19 1HD1 ILE 19 0.858 12.423 2.653 140 2HD1 ILE 19 2HD1 ILE 19 -0.460 11.236 2.565 141 3HD1 ILE 19 3HD1 ILE 19 1.228 10.696 2.400 142 H ALA 20 H ALA 20 4.562 13.260 -0.263 143 HA ALA 20 HA ALA 20 5.765 12.038 -2.558 144 1HB ALA 20 1HB ALA 20 5.972 14.396 -2.363 145 2HB ALA 20 2HB ALA 20 6.713 14.320 -0.753 146 3HB ALA 20 3HB ALA 20 7.646 13.819 -2.186 147 H GLU 21 H GLU 21 6.656 11.862 0.847 148 HA GLU 21 HA GLU 21 9.369 10.754 0.530 149 1HB GLU 21 1HB GLU 21 9.504 10.603 2.853 150 2HB GLU 21 2HB GLU 21 7.800 10.256 3.070 151 1HG GLU 21 1HG GLU 21 8.542 13.014 1.995 152 2HG GLU 21 2HG GLU 21 7.163 12.541 2.973 153 H PHE 22 H PHE 22 6.146 9.374 1.012 154 HA PHE 22 HA PHE 22 6.892 6.564 1.446 155 1HB PHE 22 1HB PHE 22 4.475 6.099 0.606 156 2HB PHE 22 2HB PHE 22 4.287 7.821 0.407 157 HD1 PHE 22 HD1 PHE 22 2.578 8.179 2.111 158 HD2 PHE 22 HD2 PHE 22 6.282 6.286 3.219 159 HE1 PHE 22 HE1 PHE 22 1.885 8.181 4.470 160 HE2 PHE 22 HE2 PHE 22 5.579 6.317 5.577 161 HZ PHE 22 HZ PHE 22 3.404 7.304 6.212 162 H LYS 23 H LYS 23 5.770 8.332 -1.451 163 HA LYS 23 HA LYS 23 5.945 6.382 -3.504 164 1HB LYS 23 1HB LYS 23 5.328 8.958 -3.634 165 2HB LYS 23 2HB LYS 23 7.018 9.206 -4.018 166 1HG LYS 23 1HG LYS 23 6.857 8.060 -6.107 167 2HG LYS 23 2HG LYS 23 5.422 7.168 -5.640 168 1HD LYS 23 1HD LYS 23 5.363 10.229 -6.025 169 2HD LYS 23 2HD LYS 23 3.997 9.138 -5.864 170 1HE LYS 23 1HE LYS 23 4.159 9.712 -8.216 171 2HE LYS 23 2HE LYS 23 5.886 9.356 -8.286 172 1HZ LYS 23 1HZ LYS 23 5.474 7.085 -8.279 173 2HZ LYS 23 2HZ LYS 23 3.999 7.202 -7.542 174 3HZ LYS 23 3HZ LYS 23 4.166 7.628 -9.130 175 H ALA 24 H ALA 24 8.562 8.288 -2.045 176 HA ALA 24 HA ALA 24 10.785 7.825 -3.725 177 1HB ALA 24 1HB ALA 24 12.244 8.097 -1.729 178 2HB ALA 24 2HB ALA 24 10.908 9.264 -1.711 179 3HB ALA 24 3HB ALA 24 10.858 7.839 -0.642 180 H ALA 25 H ALA 25 9.938 5.780 -0.907 181 HA ALA 25 HA ALA 25 11.913 3.650 -1.479 182 1HB ALA 25 1HB ALA 25 10.799 2.410 0.369 183 2HB ALA 25 2HB ALA 25 11.132 4.089 0.832 184 3HB ALA 25 3HB ALA 25 9.473 3.596 0.409 185 H PHE 26 H PHE 26 8.528 4.216 -2.248 186 HA PHE 26 HA PHE 26 7.627 1.539 -2.923 187 1HB PHE 26 1HB PHE 26 6.235 3.735 -2.657 188 2HB PHE 26 2HB PHE 26 6.615 4.077 -4.325 189 HD1 PHE 26 HD1 PHE 26 3.834 3.463 -2.928 190 HD2 PHE 26 HD2 PHE 26 6.508 1.031 -5.260 191 HE1 PHE 26 HE1 PHE 26 1.948 2.046 -3.633 192 HE2 PHE 26 HE2 PHE 26 4.611 -0.380 -5.947 193 HZ PHE 26 HZ PHE 26 2.324 0.159 -5.185 194 H ASP 27 H ASP 27 9.478 3.954 -4.699 195 HA ASP 27 HA ASP 27 9.260 2.692 -7.374 196 1HB ASP 27 1HB ASP 27 11.413 4.720 -6.574 197 2HB ASP 27 2HB ASP 27 9.756 5.193 -6.865 198 H MET 28 H MET 28 11.588 2.641 -4.715 199 HA MET 28 HA MET 28 13.894 1.441 -5.921 200 1HB MET 28 1HB MET 28 14.175 0.232 -3.556 201 2HB MET 28 2HB MET 28 12.806 1.223 -3.086 202 1HG MET 28 1HG MET 28 14.278 3.253 -4.083 203 2HG MET 28 2HG MET 28 14.557 2.629 -2.449 204 1HE MET 28 1HE MET 28 16.523 1.131 -1.674 205 2HE MET 28 2HE MET 28 16.062 -0.188 -2.789 206 3HE MET 28 3HE MET 28 17.750 0.399 -2.756 207 H PHE 29 H PHE 29 10.943 -0.092 -4.674 208 HA PHE 29 HA PHE 29 11.869 -2.894 -5.368 209 1HB PHE 29 1HB PHE 29 9.496 -3.538 -4.524 210 2HB PHE 29 2HB PHE 29 9.269 -1.866 -4.088 211 HD1 PHE 29 HD1 PHE 29 12.576 -3.603 -3.664 212 HD2 PHE 29 HD2 PHE 29 9.019 -2.189 -1.693 213 HE1 PHE 29 HE1 PHE 29 13.651 -3.916 -1.472 214 HE2 PHE 29 HE2 PHE 29 10.106 -2.531 0.488 215 HZ PHE 29 HZ PHE 29 12.420 -3.383 0.603 216 H ASP 30 H ASP 30 9.647 -0.385 -6.465 217 HA ASP 30 HA ASP 30 8.207 -2.033 -8.480 218 1HB ASP 30 1HB ASP 30 8.270 0.969 -7.923 219 2HB ASP 30 2HB ASP 30 6.972 -0.171 -7.653 220 H ALA 31 H ALA 31 9.403 -2.942 -9.993 221 HA ALA 31 HA ALA 31 11.858 -1.832 -11.202 222 1HB ALA 31 1HB ALA 31 11.751 -3.818 -12.714 223 2HB ALA 31 2HB ALA 31 11.505 -4.271 -11.017 224 3HB ALA 31 3HB ALA 31 10.116 -4.210 -12.132 225 H ASP 32 H ASP 32 8.841 -2.759 -12.867 226 HA ASP 32 HA ASP 32 8.627 -0.126 -14.324 227 1HB ASP 32 1HB ASP 32 8.914 -0.854 -16.550 228 2HB ASP 32 2HB ASP 32 8.766 -2.550 -16.150 229 H GLY 33 H GLY 33 6.577 0.374 -14.337 230 1HA GLY 33 1HA GLY 33 4.444 -1.211 -13.168 231 2HA GLY 33 2HA GLY 33 4.311 -1.438 -14.914 232 H GLY 34 H GLY 34 4.580 1.107 -12.436 233 1HA GLY 34 1HA GLY 34 4.017 3.540 -13.738 234 2HA GLY 34 2HA GLY 34 2.436 2.753 -13.775 235 H GLY 35 H GLY 35 2.757 1.324 -11.284 236 1HA GLY 35 1HA GLY 35 3.469 2.801 -8.917 237 2HA GLY 35 2HA GLY 35 1.861 3.399 -9.341 238 H ASP 36 H ASP 36 3.602 0.300 -9.046 239 HA ASP 36 HA ASP 36 1.602 -0.892 -7.176 240 1HB ASP 36 1HB ASP 36 0.849 -2.767 -8.627 241 2HB ASP 36 2HB ASP 36 0.243 -1.209 -9.140 242 H ILE 37 H ILE 37 2.282 -2.930 -6.401 243 HA ILE 37 HA ILE 37 4.967 -4.084 -7.234 244 HB ILE 37 HB ILE 37 5.892 -4.018 -4.924 245 1HG1 ILE 37 1HG1 ILE 37 3.343 -2.542 -4.285 246 2HG1 ILE 37 2HG1 ILE 37 4.786 -1.753 -3.684 247 1HG2 ILE 37 1HG2 ILE 37 6.803 -1.698 -5.091 248 2HG2 ILE 37 2HG2 ILE 37 6.674 -2.420 -6.701 249 3HG2 ILE 37 3HG2 ILE 37 5.475 -1.215 -6.173 250 1HD1 ILE 37 1HD1 ILE 37 5.470 -3.734 -2.367 251 2HD1 ILE 37 2HD1 ILE 37 3.801 -3.268 -1.975 252 3HD1 ILE 37 3HD1 ILE 37 4.102 -4.675 -3.021 253 H SER 38 H SER 38 5.380 -6.007 -5.638 254 HA SER 38 HA SER 38 3.058 -7.858 -5.692 255 1HB SER 38 1HB SER 38 5.248 -8.813 -3.991 256 2HB SER 38 2HB SER 38 5.887 -8.128 -5.487 257 HG SER 38 HG SER 38 5.378 -10.166 -5.950 258 H THR 39 H THR 39 1.973 -8.735 -3.949 259 HA THR 39 HA THR 39 1.370 -6.899 -1.681 260 HB THR 39 HB THR 39 -0.379 -8.293 -2.847 261 HG1 THR 39 HG1 THR 39 -0.408 -7.330 -0.655 262 1HG2 THR 39 1HG2 THR 39 -0.849 -10.590 -2.115 263 2HG2 THR 39 2HG2 THR 39 0.766 -10.550 -2.858 264 3HG2 THR 39 3HG2 THR 39 0.600 -10.624 -1.084 265 H LYS 40 H LYS 40 3.237 -9.834 -2.193 266 HA LYS 40 HA LYS 40 3.568 -10.825 0.497 267 1HB LYS 40 1HB LYS 40 4.779 -11.350 -2.083 268 2HB LYS 40 2HB LYS 40 4.685 -12.392 -0.679 269 1HG LYS 40 1HG LYS 40 6.880 -10.268 -1.042 270 2HG LYS 40 2HG LYS 40 6.829 -11.507 0.197 271 1HD LYS 40 1HD LYS 40 7.487 -13.241 -1.288 272 2HD LYS 40 2HD LYS 40 6.774 -12.448 -2.683 273 1HE LYS 40 1HE LYS 40 9.471 -12.541 -2.279 274 2HE LYS 40 2HE LYS 40 9.153 -11.025 -1.432 275 1HZ LYS 40 1HZ LYS 40 7.937 -11.359 -4.088 276 2HZ LYS 40 2HZ LYS 40 8.549 -9.999 -3.376 277 3HZ LYS 40 3HZ LYS 40 9.572 -11.124 -4.023 278 H GLU 41 H GLU 41 5.226 -8.250 -1.267 279 HA GLU 41 HA GLU 41 7.214 -7.711 0.930 280 1HB GLU 41 1HB GLU 41 6.863 -5.920 -1.508 281 2HB GLU 41 2HB GLU 41 8.291 -6.180 -0.525 282 1HG GLU 41 1HG GLU 41 7.071 -8.143 -2.565 283 2HG GLU 41 2HG GLU 41 8.326 -8.630 -1.438 284 H LEU 42 H LEU 42 4.296 -6.240 -0.474 285 HA LEU 42 HA LEU 42 4.057 -3.770 0.827 286 1HB LEU 42 1HB LEU 42 1.805 -5.838 0.468 287 2HB LEU 42 2HB LEU 42 2.338 -4.682 -0.734 288 HG LEU 42 HG LEU 42 1.350 -3.603 1.944 289 1HD1 LEU 42 1HD1 LEU 42 0.535 -1.711 0.507 290 2HD1 LEU 42 2HD1 LEU 42 2.272 -1.978 0.294 291 3HD1 LEU 42 3HD1 LEU 42 1.132 -2.543 -0.952 292 1HD2 LEU 42 1HD2 LEU 42 -0.550 -4.554 -0.305 293 2HD2 LEU 42 2HD2 LEU 42 -0.409 -5.272 1.318 294 3HD2 LEU 42 3HD2 LEU 42 -1.020 -3.618 1.138 295 H GLY 43 H GLY 43 4.794 -3.470 2.817 296 1HA GLY 43 1HA GLY 43 4.121 -5.398 5.117 297 2HA GLY 43 2HA GLY 43 3.911 -3.652 5.343 298 H THR 44 H THR 44 6.362 -5.981 4.129 299 HA THR 44 HA THR 44 8.570 -5.251 5.734 300 HB THR 44 HB THR 44 8.566 -6.340 2.892 301 HG1 THR 44 HG1 THR 44 9.236 -7.453 5.404 302 1HG2 THR 44 1HG2 THR 44 10.970 -6.954 3.193 303 2HG2 THR 44 2HG2 THR 44 10.763 -5.191 3.125 304 3HG2 THR 44 3HG2 THR 44 11.043 -5.994 4.692 305 H VAL 45 H VAL 45 7.186 -3.701 2.901 306 HA VAL 45 HA VAL 45 9.447 -1.809 2.391 307 HB VAL 45 HB VAL 45 8.208 -2.556 0.468 308 1HG1 VAL 45 1HG1 VAL 45 7.449 0.408 0.846 309 2HG1 VAL 45 2HG1 VAL 45 9.092 -0.135 0.481 310 3HG1 VAL 45 3HG1 VAL 45 7.784 -0.446 -0.683 311 1HG2 VAL 45 1HG2 VAL 45 5.851 -2.148 -0.011 312 2HG2 VAL 45 2HG2 VAL 45 5.909 -2.915 1.593 313 3HG2 VAL 45 3HG2 VAL 45 5.639 -1.171 1.465 314 H MET 46 H MET 46 6.345 -1.834 4.066 315 HA MET 46 HA MET 46 6.467 1.081 4.833 316 1HB MET 46 1HB MET 46 4.477 -1.178 5.427 317 2HB MET 46 2HB MET 46 4.401 0.348 6.288 318 1HG MET 46 1HG MET 46 3.747 1.584 4.329 319 2HG MET 46 2HG MET 46 4.382 0.358 3.218 320 1HE MET 46 1HE MET 46 2.270 0.017 6.551 321 2HE MET 46 2HE MET 46 1.046 -1.186 6.050 322 3HE MET 46 3HE MET 46 2.772 -1.645 6.110 323 NH1 ARG 47 NH1 ARG 47 9.675 -7.785 10.649 324 NH2 ARG 47 NH2 ARG 47 11.894 -7.304 10.590 325 H ARG 47 H ARG 47 8.010 -1.689 5.948 326 HA ARG 47 HA ARG 47 7.832 -0.932 8.921 327 1HB ARG 47 1HB ARG 47 7.256 -3.155 8.999 328 2HB ARG 47 2HB ARG 47 7.995 -3.522 7.447 329 1HG ARG 47 1HG ARG 47 9.565 -3.188 10.075 330 2HG ARG 47 2HG ARG 47 10.289 -3.543 8.505 331 1HD ARG 47 1HD ARG 47 8.561 -5.358 10.256 332 2HD ARG 47 2HD ARG 47 8.536 -5.619 8.514 333 HE ARG 47 HE ARG 47 11.250 -5.652 8.872 334 1HH1 ARG 47 1HH1 ARG 47 9.940 -8.565 11.260 335 2HH1 ARG 47 2HH1 ARG 47 8.730 -7.555 10.321 336 1HH2 ARG 47 1HH2 ARG 47 12.646 -6.737 10.184 337 2HH2 ARG 47 2HH2 ARG 47 12.001 -8.090 11.242 338 H MET 48 H MET 48 10.096 -1.680 6.289 339 HA MET 48 HA MET 48 12.537 -1.724 7.918 340 1HB MET 48 1HB MET 48 12.103 -1.376 4.903 341 2HB MET 48 2HB MET 48 12.715 -2.775 5.766 342 1HG MET 48 1HG MET 48 14.203 -0.428 4.709 343 2HG MET 48 2HG MET 48 14.639 -0.786 6.387 344 1HE MET 48 1HE MET 48 14.888 -1.437 2.833 345 2HE MET 48 2HE MET 48 15.951 -2.863 2.650 346 3HE MET 48 3HE MET 48 14.180 -3.081 2.765 347 H LEU 49 H LEU 49 10.713 0.827 6.435 348 HA LEU 49 HA LEU 49 12.739 2.974 7.236 349 1HB LEU 49 1HB LEU 49 12.416 3.331 4.959 350 2HB LEU 49 2HB LEU 49 11.081 4.310 5.563 351 HG LEU 49 HG LEU 49 10.187 2.992 3.747 352 1HD1 LEU 49 1HD1 LEU 49 10.362 0.523 3.550 353 2HD1 LEU 49 2HD1 LEU 49 11.974 1.261 3.571 354 3HD1 LEU 49 3HD1 LEU 49 11.351 0.451 5.030 355 1HD2 LEU 49 1HD2 LEU 49 9.313 1.609 6.355 356 2HD2 LEU 49 2HD2 LEU 49 8.617 3.103 5.680 357 3HD2 LEU 49 3HD2 LEU 49 8.425 1.574 4.810 358 H GLY 50 H GLY 50 10.567 1.588 8.920 359 1HA GLY 50 1HA GLY 50 9.167 4.117 9.940 360 2HA GLY 50 2HA GLY 50 8.171 2.743 9.471 361 H GLN 51 H GLN 51 8.911 0.596 10.521 362 HA GLN 51 HA GLN 51 9.466 1.005 13.513 363 1HB GLN 51 1HB GLN 51 7.165 -0.806 12.684 364 2HB GLN 51 2HB GLN 51 7.494 -0.041 14.228 365 1HG GLN 51 1HG GLN 51 6.366 1.883 13.705 366 2HG GLN 51 2HG GLN 51 7.006 1.970 12.076 367 1HE2 GLN 51 1HE2 GLN 51 3.296 1.297 11.827 368 2HE2 GLN 51 2HE2 GLN 51 4.423 2.632 12.386 369 H ASN 52 H ASN 52 8.641 -1.741 14.041 370 HA ASN 52 HA ASN 52 10.435 -3.492 12.360 371 1HB ASN 52 1HB ASN 52 11.972 -4.103 14.032 372 2HB ASN 52 2HB ASN 52 10.964 -3.566 15.358 373 1HD2 ASN 52 1HD2 ASN 52 12.089 -0.057 14.884 374 2HD2 ASN 52 2HD2 ASN 52 10.723 -1.105 15.516 375 HA PRO 53 HA PRO 53 6.558 -5.457 14.656 376 1HB PRO 53 1HB PRO 53 4.779 -5.842 12.590 377 2HB PRO 53 2HB PRO 53 4.958 -4.313 13.463 378 1HG PRO 53 1HG PRO 53 6.176 -5.064 10.760 379 2HG PRO 53 2HG PRO 53 5.312 -3.570 11.193 380 1HD PRO 53 1HD PRO 53 8.094 -3.763 11.178 381 2HD PRO 53 2HD PRO 53 7.230 -2.665 12.297 382 H THR 54 H THR 54 5.257 -7.536 13.307 383 HA THR 54 HA THR 54 7.534 -9.552 13.023 384 HB THR 54 HB THR 54 6.322 -11.189 14.063 385 HG1 THR 54 HG1 THR 54 4.400 -11.579 13.538 386 1HG2 THR 54 1HG2 THR 54 5.141 -10.346 16.066 387 2HG2 THR 54 2HG2 THR 54 6.592 -9.363 15.768 388 3HG2 THR 54 3HG2 THR 54 4.982 -8.726 15.346 389 H LYS 55 H LYS 55 7.052 -11.410 11.594 390 HA LYS 55 HA LYS 55 6.337 -10.522 8.838 391 1HB LYS 55 1HB LYS 55 6.565 -13.163 8.442 392 2HB LYS 55 2HB LYS 55 7.266 -13.170 10.046 393 1HG LYS 55 1HG LYS 55 9.181 -12.961 8.763 394 2HG LYS 55 2HG LYS 55 8.874 -11.269 9.100 395 1HD LYS 55 1HD LYS 55 7.589 -12.304 6.561 396 2HD LYS 55 2HD LYS 55 8.338 -10.753 6.906 397 1HE LYS 55 1HE LYS 55 10.534 -11.491 6.426 398 2HE LYS 55 2HE LYS 55 10.178 -13.188 6.754 399 1HZ LYS 55 1HZ LYS 55 8.585 -12.825 4.676 400 2HZ LYS 55 2HZ LYS 55 9.666 -11.626 4.325 401 3HZ LYS 55 3HZ LYS 55 10.185 -13.187 4.484 402 H GLU 56 H GLU 56 4.866 -12.388 11.442 403 HA GLU 56 HA GLU 56 2.575 -13.574 10.106 404 1HB GLU 56 1HB GLU 56 2.188 -12.559 12.920 405 2HB GLU 56 2HB GLU 56 3.508 -13.682 12.661 406 1HG GLU 56 1HG GLU 56 1.418 -15.003 11.330 407 2HG GLU 56 2HG GLU 56 0.540 -14.165 12.599 408 H GLU 57 H GLU 57 3.246 -10.306 11.196 409 HA GLU 57 HA GLU 57 0.479 -9.270 11.131 410 1HB GLU 57 1HB GLU 57 1.496 -6.999 11.284 411 2HB GLU 57 2HB GLU 57 3.092 -7.673 11.021 412 1HG GLU 57 1HG GLU 57 2.769 -9.065 13.189 413 2HG GLU 57 2HG GLU 57 2.954 -7.330 13.382 414 H LEU 58 H LEU 58 3.266 -8.990 8.907 415 HA LEU 58 HA LEU 58 2.035 -7.512 6.747 416 1HB LEU 58 1HB LEU 58 4.502 -8.045 6.950 417 2HB LEU 58 2HB LEU 58 4.177 -9.705 6.497 418 HG LEU 58 HG LEU 58 3.806 -7.220 4.715 419 1HD1 LEU 58 1HD1 LEU 58 3.273 -10.140 3.878 420 2HD1 LEU 58 2HD1 LEU 58 1.990 -8.998 4.303 421 3HD1 LEU 58 3HD1 LEU 58 3.032 -8.672 2.896 422 1HD2 LEU 58 1HD2 LEU 58 5.639 -8.156 3.350 423 2HD2 LEU 58 2HD2 LEU 58 6.196 -8.062 5.039 424 3HD2 LEU 58 3HD2 LEU 58 5.708 -9.624 4.358 425 H ASP 59 H ASP 59 1.995 -10.945 7.567 426 HA ASP 59 HA ASP 59 0.627 -11.900 5.108 427 1HB ASP 59 1HB ASP 59 1.322 -13.222 7.761 428 2HB ASP 59 2HB ASP 59 0.143 -13.981 6.715 429 H ALA 60 H ALA 60 -0.334 -10.726 8.278 430 HA ALA 60 HA ALA 60 -3.064 -11.705 8.439 431 1HB ALA 60 1HB ALA 60 -3.418 -9.927 10.146 432 2HB ALA 60 2HB ALA 60 -1.880 -10.773 10.400 433 3HB ALA 60 3HB ALA 60 -1.889 -9.139 9.688 434 H ILE 61 H ILE 61 -2.075 -8.332 7.736 435 HA ILE 61 HA ILE 61 -4.485 -7.271 6.731 436 HB ILE 61 HB ILE 61 -1.656 -6.526 5.846 437 1HG1 ILE 61 1HG1 ILE 61 -3.520 -4.992 7.771 438 2HG1 ILE 61 2HG1 ILE 61 -2.354 -6.170 8.334 439 1HG2 ILE 61 1HG2 ILE 61 -2.612 -4.396 4.929 440 2HG2 ILE 61 2HG2 ILE 61 -3.266 -5.790 4.073 441 3HG2 ILE 61 3HG2 ILE 61 -4.263 -4.960 5.290 442 1HD1 ILE 61 1HD1 ILE 61 -1.608 -3.575 6.863 443 2HD1 ILE 61 2HD1 ILE 61 -1.374 -3.959 8.582 444 3HD1 ILE 61 3HD1 ILE 61 -0.448 -4.843 7.347 445 H ILE 62 H ILE 62 -2.050 -9.287 5.173 446 HA ILE 62 HA ILE 62 -2.767 -9.039 2.366 447 HB ILE 62 HB ILE 62 -0.924 -10.607 3.836 448 1HG1 ILE 62 1HG1 ILE 62 -1.433 -10.168 0.843 449 2HG1 ILE 62 2HG1 ILE 62 -0.221 -11.329 1.342 450 1HG2 ILE 62 1HG2 ILE 62 -1.130 -12.920 2.889 451 2HG2 ILE 62 2HG2 ILE 62 -2.535 -12.536 3.882 452 3HG2 ILE 62 3HG2 ILE 62 -2.672 -12.485 2.109 453 1HD1 ILE 62 1HD1 ILE 62 1.108 -9.613 2.538 454 2HD1 ILE 62 2HD1 ILE 62 0.792 -9.109 0.865 455 3HD1 ILE 62 3HD1 ILE 62 -0.135 -8.378 2.196 456 H GLU 63 H GLU 63 -3.863 -11.373 4.841 457 HA GLU 63 HA GLU 63 -5.635 -13.011 3.354 458 1HB GLU 63 1HB GLU 63 -5.092 -13.482 5.692 459 2HB GLU 63 2HB GLU 63 -5.977 -12.076 6.248 460 1HG GLU 63 1HG GLU 63 -8.147 -13.089 5.574 461 2HG GLU 63 2HG GLU 63 -7.332 -14.428 4.783 462 H GLU 64 H GLU 64 -6.286 -9.826 4.784 463 HA GLU 64 HA GLU 64 -9.157 -9.710 4.160 464 1HB GLU 64 1HB GLU 64 -7.677 -8.280 5.852 465 2HB GLU 64 2HB GLU 64 -7.507 -7.181 4.498 466 1HG GLU 64 1HG GLU 64 -10.353 -8.016 5.060 467 2HG GLU 64 2HG GLU 64 -9.578 -7.139 6.368 468 H VAL 65 H VAL 65 -6.226 -8.539 2.536 469 HA VAL 65 HA VAL 65 -7.863 -7.592 0.131 470 HB VAL 65 HB VAL 65 -5.133 -6.737 -0.155 471 1HG1 VAL 65 1HG1 VAL 65 -6.236 -5.811 2.574 472 2HG1 VAL 65 2HG1 VAL 65 -4.982 -7.052 2.390 473 3HG1 VAL 65 3HG1 VAL 65 -4.672 -5.390 1.832 474 1HG2 VAL 65 1HG2 VAL 65 -6.074 -4.488 -0.313 475 2HG2 VAL 65 2HG2 VAL 65 -7.277 -5.585 -1.034 476 3HG2 VAL 65 3HG2 VAL 65 -7.535 -4.948 0.596 477 H ASP 66 H ASP 66 -7.308 -10.350 0.762 478 HA ASP 66 HA ASP 66 -6.126 -11.272 -1.836 479 1HB ASP 66 1HB ASP 66 -4.697 -12.370 0.626 480 2HB ASP 66 2HB ASP 66 -4.161 -10.870 -0.096 481 H GLU 67 H GLU 67 -8.644 -11.344 -0.542 482 HA GLU 67 HA GLU 67 -9.285 -13.912 0.768 483 1HB GLU 67 1HB GLU 67 -11.149 -12.066 -0.816 484 2HB GLU 67 2HB GLU 67 -11.670 -13.454 0.118 485 1HG GLU 67 1HG GLU 67 -11.062 -12.403 2.236 486 2HG GLU 67 2HG GLU 67 -10.100 -11.166 1.444 487 H ASP 68 H ASP 68 -10.472 -12.941 -2.444 488 HA ASP 68 HA ASP 68 -9.323 -15.398 -3.794 489 1HB ASP 68 1HB ASP 68 -11.302 -16.436 -2.949 490 2HB ASP 68 2HB ASP 68 -11.556 -16.157 -4.656 491 H GLY 69 H GLY 69 -8.209 -13.494 -4.693 492 1HA GLY 69 1HA GLY 69 -9.223 -11.314 -6.258 493 2HA GLY 69 2HA GLY 69 -9.404 -12.717 -7.317 494 H SER 70 H SER 70 -7.876 -12.469 -8.778 495 HA SER 70 HA SER 70 -4.944 -12.542 -7.926 496 1HB SER 70 1HB SER 70 -6.470 -13.658 -10.283 497 2HB SER 70 2HB SER 70 -5.244 -14.410 -9.260 498 HG SER 70 HG SER 70 -3.673 -13.299 -10.300 499 H GLY 71 H GLY 71 -4.465 -10.407 -7.633 500 1HA GLY 71 1HA GLY 71 -4.323 -8.610 -10.098 501 2HA GLY 71 2HA GLY 71 -5.215 -7.986 -8.707 502 H THR 72 H THR 72 -3.777 -6.310 -8.431 503 HA THR 72 HA THR 72 -1.163 -6.991 -7.044 504 HB THR 72 HB THR 72 -0.743 -6.496 -9.504 505 HG1 THR 72 HG1 THR 72 0.991 -6.424 -8.426 506 1HG2 THR 72 1HG2 THR 72 -2.176 -4.389 -9.770 507 2HG2 THR 72 2HG2 THR 72 -1.011 -3.525 -8.743 508 3HG2 THR 72 3HG2 THR 72 -0.492 -4.206 -10.307 509 H ILE 73 H ILE 73 -0.260 -4.993 -5.961 510 HA ILE 73 HA ILE 73 -2.538 -3.527 -4.590 511 HB ILE 73 HB ILE 73 0.001 -4.646 -3.559 512 1HG1 ILE 73 1HG1 ILE 73 -2.652 -3.970 -2.157 513 2HG1 ILE 73 2HG1 ILE 73 -1.335 -4.909 -1.477 514 1HG2 ILE 73 1HG2 ILE 73 0.420 -3.042 -1.732 515 2HG2 ILE 73 2HG2 ILE 73 0.591 -2.203 -3.280 516 3HG2 ILE 73 3HG2 ILE 73 -0.877 -1.966 -2.303 517 1HD1 ILE 73 1HD1 ILE 73 -2.772 -6.631 -2.197 518 2HD1 ILE 73 2HD1 ILE 73 -3.290 -5.745 -3.647 519 3HD1 ILE 73 3HD1 ILE 73 -1.683 -6.510 -3.607 520 H ASP 74 H ASP 74 -2.511 -1.317 -4.378 521 HA ASP 74 HA ASP 74 -0.672 0.196 -6.311 522 1HB ASP 74 1HB ASP 74 -2.761 1.841 -6.417 523 2HB ASP 74 2HB ASP 74 -2.614 0.458 -7.476 524 H PHE 75 H PHE 75 -0.714 2.609 -5.788 525 HA PHE 75 HA PHE 75 0.505 3.020 -3.146 526 1HB PHE 75 1HB PHE 75 -0.475 5.254 -5.008 527 2HB PHE 75 2HB PHE 75 0.949 4.315 -5.374 528 HD1 PHE 75 HD1 PHE 75 -0.049 7.354 -4.032 529 HD2 PHE 75 HD2 PHE 75 2.552 4.084 -3.002 530 HE1 PHE 75 HE1 PHE 75 1.366 8.879 -2.718 531 HE2 PHE 75 HE2 PHE 75 3.918 5.615 -1.640 532 HZ PHE 75 HZ PHE 75 3.339 8.012 -1.507 533 H GLU 76 H GLU 76 -2.726 3.402 -4.461 534 HA GLU 76 HA GLU 76 -3.895 5.167 -2.442 535 1HB GLU 76 1HB GLU 76 -6.130 4.247 -3.236 536 2HB GLU 76 2HB GLU 76 -5.266 3.133 -4.276 537 1HG GLU 76 1HG GLU 76 -4.143 5.254 -5.363 538 2HG GLU 76 2HG GLU 76 -5.328 6.202 -4.480 539 H GLU 77 H GLU 77 -4.666 1.714 -2.886 540 HA GLU 77 HA GLU 77 -5.688 1.046 -0.302 541 1HB GLU 77 1HB GLU 77 -4.519 -1.319 -0.801 542 2HB GLU 77 2HB GLU 77 -4.247 -0.618 -2.384 543 1HG GLU 77 1HG GLU 77 -6.912 -1.287 -1.031 544 2HG GLU 77 2HG GLU 77 -6.882 -0.072 -2.298 545 H PHE 78 H PHE 78 -2.369 1.528 -1.344 546 HA PHE 78 HA PHE 78 -0.937 0.273 0.854 547 1HB PHE 78 1HB PHE 78 -0.227 2.245 -1.308 548 2HB PHE 78 2HB PHE 78 0.482 0.697 -0.928 549 HD1 PHE 78 HD1 PHE 78 1.773 3.585 -1.462 550 HD2 PHE 78 HD2 PHE 78 1.038 1.332 2.129 551 HE1 PHE 78 HE1 PHE 78 3.810 4.521 -0.445 552 HE2 PHE 78 HE2 PHE 78 3.076 2.279 3.130 553 HZ PHE 78 HZ PHE 78 4.497 3.825 1.826 554 H LEU 79 H LEU 79 -1.986 3.649 0.348 555 HA LEU 79 HA LEU 79 -1.033 4.752 2.925 556 1HB LEU 79 1HB LEU 79 -2.690 6.637 2.425 557 2HB LEU 79 2HB LEU 79 -3.210 5.759 1.003 558 HG LEU 79 HG LEU 79 -0.593 5.838 0.348 559 1HD1 LEU 79 1HD1 LEU 79 -1.022 7.935 -0.941 560 2HD1 LEU 79 2HD1 LEU 79 -2.435 6.865 -1.002 561 3HD1 LEU 79 3HD1 LEU 79 -2.450 8.292 0.063 562 1HD2 LEU 79 1HD2 LEU 79 -0.843 8.286 2.223 563 2HD2 LEU 79 2HD2 LEU 79 0.237 6.889 2.457 564 3HD2 LEU 79 3HD2 LEU 79 0.497 7.981 1.089 565 H VAL 80 H VAL 80 -3.921 3.097 1.799 566 HA VAL 80 HA VAL 80 -5.758 3.753 3.967 567 HB VAL 80 HB VAL 80 -5.809 1.234 2.226 568 1HG1 VAL 80 1HG1 VAL 80 -7.363 3.847 1.725 569 2HG1 VAL 80 2HG1 VAL 80 -5.838 3.462 0.916 570 3HG1 VAL 80 3HG1 VAL 80 -7.255 2.416 0.668 571 1HG2 VAL 80 1HG2 VAL 80 -8.200 1.046 2.725 572 2HG2 VAL 80 2HG2 VAL 80 -7.350 1.121 4.286 573 3HG2 VAL 80 3HG2 VAL 80 -8.193 2.552 3.674 574 H MET 81 H MET 81 -3.333 1.219 3.518 575 HA MET 81 HA MET 81 -4.057 -0.270 6.036 576 1HB MET 81 1HB MET 81 -2.706 -2.002 5.315 577 2HB MET 81 2HB MET 81 -3.189 -1.302 3.781 578 1HG MET 81 1HG MET 81 -0.500 -0.608 5.120 579 2HG MET 81 2HG MET 81 -1.003 -0.222 3.467 580 1HE MET 81 1HE MET 81 -0.013 -4.349 5.273 581 2HE MET 81 2HE MET 81 1.263 -3.096 5.278 582 3HE MET 81 3HE MET 81 -0.290 -2.788 6.108 583 H MET 82 H MET 82 -1.781 2.159 4.954 584 HA MET 82 HA MET 82 0.165 1.960 7.171 585 1HB MET 82 1HB MET 82 -0.306 3.847 4.889 586 2HB MET 82 2HB MET 82 0.373 4.605 6.317 587 1HG MET 82 1HG MET 82 1.920 3.433 4.385 588 2HG MET 82 2HG MET 82 1.721 2.031 5.450 589 1HE MET 82 1HE MET 82 3.741 1.845 7.721 590 2HE MET 82 2HE MET 82 3.024 3.032 8.850 591 3HE MET 82 3HE MET 82 1.960 1.989 7.862 592 H VAL 83 H VAL 83 -2.876 3.647 6.644 593 HA VAL 83 HA VAL 83 -2.777 5.482 8.937 594 HB VAL 83 HB VAL 83 -4.843 4.690 6.950 595 1HG1 VAL 83 1HG1 VAL 83 -4.378 7.409 8.326 596 2HG1 VAL 83 2HG1 VAL 83 -3.452 6.864 6.921 597 3HG1 VAL 83 3HG1 VAL 83 -5.210 7.094 6.781 598 1HG2 VAL 83 1HG2 VAL 83 -6.822 5.469 8.149 599 2HG2 VAL 83 2HG2 VAL 83 -6.095 4.197 9.158 600 3HG2 VAL 83 3HG2 VAL 83 -5.873 5.897 9.596 601 NH1 ARG 84 NH1 ARG 84 -7.239 -3.513 7.591 602 NH2 ARG 84 NH2 ARG 84 -8.531 -1.729 7.032 603 H ARG 84 H ARG 84 -4.450 2.354 8.421 604 HA ARG 84 HA ARG 84 -5.555 1.908 11.085 605 1HB ARG 84 1HB ARG 84 -5.583 -0.521 10.493 606 2HB ARG 84 2HB ARG 84 -6.292 0.513 9.260 607 1HG ARG 84 1HG ARG 84 -4.241 0.368 7.853 608 2HG ARG 84 2HG ARG 84 -3.422 -0.593 9.086 609 1HD ARG 84 1HD ARG 84 -4.254 -2.141 7.381 610 2HD ARG 84 2HD ARG 84 -5.195 -2.408 8.847 611 HE ARG 84 HE ARG 84 -6.370 -0.555 6.737 612 1HH1 ARG 84 1HH1 ARG 84 -8.102 -4.063 7.518 613 2HH1 ARG 84 2HH1 ARG 84 -6.313 -3.856 7.869 614 1HH2 ARG 84 1HH2 ARG 84 -8.591 -0.714 6.895 615 2HH2 ARG 84 2HH2 ARG 84 -9.305 -2.402 6.993 616 H GLN 85 H GLN 85 -2.413 0.987 9.650 617 HA GLN 85 HA GLN 85 -1.381 -0.528 11.959 618 1HB GLN 85 1HB GLN 85 0.892 0.416 10.554 619 2HB GLN 85 2HB GLN 85 -0.356 0.354 9.323 620 1HG GLN 85 1HG GLN 85 1.119 -1.761 9.669 621 2HG GLN 85 2HG GLN 85 -0.602 -1.988 9.433 622 1HE2 GLN 85 1HE2 GLN 85 1.099 -2.950 13.096 623 2HE2 GLN 85 2HE2 GLN 85 2.011 -1.979 11.834 624 H MET 86 H MET 86 -1.314 2.850 10.980 625 HA MET 86 HA MET 86 0.865 3.950 12.499 626 1HB MET 86 1HB MET 86 -1.750 5.507 12.240 627 2HB MET 86 2HB MET 86 -0.816 5.113 10.809 628 1HG MET 86 1HG MET 86 0.585 6.870 11.178 629 2HG MET 86 2HG MET 86 1.035 6.238 12.770 630 1HE MET 86 1HE MET 86 1.256 7.810 14.272 631 2HE MET 86 2HE MET 86 0.971 9.399 13.502 632 3HE MET 86 3HE MET 86 0.025 8.925 14.944 633 H LYS 87 H LYS 87 -2.391 3.023 13.473 634 HA LYS 87 HA LYS 87 -2.440 4.154 16.193 635 1HB LYS 87 1HB LYS 87 -4.334 2.879 14.651 636 2HB LYS 87 2HB LYS 87 -3.909 1.554 15.714 637 1HG LYS 87 1HG LYS 87 -5.734 2.562 16.800 638 2HG LYS 87 2HG LYS 87 -5.266 4.191 16.357 639 1HD LYS 87 1HD LYS 87 -3.648 2.554 18.410 640 2HD LYS 87 2HD LYS 87 -3.530 4.273 18.071 641 1HE LYS 87 1HE LYS 87 -4.904 4.575 19.865 642 2HE LYS 87 2HE LYS 87 -6.225 4.120 18.787 643 1HZ LYS 87 1HZ LYS 87 -5.993 2.869 20.976 644 2HZ LYS 87 2HZ LYS 87 -6.210 1.933 19.632 645 3HZ LYS 87 3HZ LYS 87 -4.710 2.067 20.312 646 H GLU 88 H GLU 88 -2.122 0.708 15.260 647 HA GLU 88 HA GLU 88 -0.993 -1.143 16.300 648 1HB GLU 88 1HB GLU 88 0.917 -0.097 15.239 649 2HB GLU 88 2HB GLU 88 1.103 1.071 16.532 650 1HG GLU 88 1HG GLU 88 2.787 -0.405 17.145 651 2HG GLU 88 2HG GLU 88 1.476 -1.121 18.067 652 H ASP 89 H ASP 89 0.616 1.096 18.455 653 HA ASP 89 HA ASP 89 -1.126 0.220 20.809 654 1HB ASP 89 1HB ASP 89 1.298 0.233 22.068 655 2HB ASP 89 2HB ASP 89 1.835 -0.279 20.485 656 H ALA 90 H ALA 90 1.625 2.287 19.840 657 HA ALA 90 HA ALA 90 0.366 4.651 21.349 658 1HB ALA 90 1HB ALA 90 2.497 5.485 21.975 659 2HB ALA 90 2HB ALA 90 2.750 3.737 22.141 660 3HB ALA 90 3HB ALA 90 3.369 4.589 20.706 Start of MODEL 21 Raw file had 660 H/Q atoms Start of MODEL 21 1 1H ALA 1 1H ALA 1 -20.139 2.453 9.437 2 2H ALA 1 2H ALA 1 -20.832 3.521 8.339 3 3H ALA 1 3H ALA 1 -21.666 2.137 8.806 4 HA ALA 1 HA ALA 1 -19.035 1.703 7.697 5 1HB ALA 1 1HB ALA 1 -21.751 0.330 7.731 6 2HB ALA 1 2HB ALA 1 -20.627 -0.082 6.422 7 3HB ALA 1 3HB ALA 1 -20.148 -0.338 8.120 8 H SER 2 H SER 2 -18.439 3.130 6.198 9 HA SER 2 HA SER 2 -19.861 3.390 3.589 10 1HB SER 2 1HB SER 2 -20.939 5.062 5.463 11 2HB SER 2 2HB SER 2 -19.651 6.108 4.862 12 HG SER 2 HG SER 2 -20.432 5.478 2.706 13 H MET 3 H MET 3 -17.847 2.663 2.876 14 HA MET 3 HA MET 3 -15.431 4.526 3.134 15 1HB MET 3 1HB MET 3 -15.516 1.660 2.023 16 2HB MET 3 2HB MET 3 -14.089 2.674 2.136 17 1HG MET 3 1HG MET 3 -14.570 2.767 4.741 18 2HG MET 3 2HG MET 3 -13.880 1.294 4.041 19 1HE MET 3 1HE MET 3 -16.779 0.969 7.003 20 2HE MET 3 2HE MET 3 -15.327 -0.023 6.677 21 3HE MET 3 3HE MET 3 -15.196 1.759 6.720 22 H THR 4 H THR 4 -17.726 5.300 1.692 23 HA THR 4 HA THR 4 -17.767 4.973 -1.165 24 HB THR 4 HB THR 4 -18.625 7.319 -1.330 25 HG1 THR 4 HG1 THR 4 -18.922 7.646 1.330 26 1HG2 THR 4 1HG2 THR 4 -20.723 7.039 -0.064 27 2HG2 THR 4 2HG2 THR 4 -20.290 5.489 -0.820 28 3HG2 THR 4 3HG2 THR 4 -20.028 5.738 0.926 29 H ASP 5 H ASP 5 -15.455 6.556 0.923 30 HA ASP 5 HA ASP 5 -13.417 6.771 -1.223 31 1HB ASP 5 1HB ASP 5 -13.030 9.241 -1.125 32 2HB ASP 5 2HB ASP 5 -14.519 8.784 -1.918 33 H GLN 6 H GLN 6 -13.017 5.267 0.698 34 HA GLN 6 HA GLN 6 -11.943 6.391 3.248 35 1HB GLN 6 1HB GLN 6 -11.552 4.216 3.921 36 2HB GLN 6 2HB GLN 6 -12.827 3.957 2.743 37 1HG GLN 6 1HG GLN 6 -10.858 3.534 1.009 38 2HG GLN 6 2HG GLN 6 -9.838 3.363 2.422 39 1HE2 GLN 6 1HE2 GLN 6 -11.732 0.312 3.506 40 2HE2 GLN 6 2HE2 GLN 6 -11.285 1.940 4.224 41 H GLN 7 H GLN 7 -10.683 5.432 0.091 42 HA GLN 7 HA GLN 7 -7.840 5.435 0.470 43 1HB GLN 7 1HB GLN 7 -8.707 6.829 -2.038 44 2HB GLN 7 2HB GLN 7 -7.606 5.484 -1.799 45 1HG GLN 7 1HG GLN 7 -10.677 5.297 -1.810 46 2HG GLN 7 2HG GLN 7 -9.613 4.815 -3.115 47 1HE2 GLN 7 1HE2 GLN 7 -10.600 1.837 -0.855 48 2HE2 GLN 7 2HE2 GLN 7 -11.568 3.259 -1.493 49 H ALA 8 H ALA 8 -10.074 8.164 0.013 50 HA ALA 8 HA ALA 8 -7.924 10.252 -0.065 51 1HB ALA 8 1HB ALA 8 -10.867 10.935 0.284 52 2HB ALA 8 2HB ALA 8 -9.612 11.774 -0.649 53 3HB ALA 8 3HB ALA 8 -10.309 10.253 -1.262 54 H GLU 9 H GLU 9 -10.192 8.883 2.252 55 HA GLU 9 HA GLU 9 -10.197 10.946 4.303 56 1HB GLU 9 1HB GLU 9 -11.927 9.401 4.532 57 2HB GLU 9 2HB GLU 9 -10.894 8.002 4.318 58 1HG GLU 9 1HG GLU 9 -10.624 9.754 6.830 59 2HG GLU 9 2HG GLU 9 -10.071 8.104 6.598 60 H ALA 10 H ALA 10 -8.008 8.269 3.609 61 HA ALA 10 HA ALA 10 -6.480 8.347 6.153 62 1HB ALA 10 1HB ALA 10 -4.936 6.752 5.026 63 2HB ALA 10 2HB ALA 10 -6.629 6.264 4.821 64 3HB ALA 10 3HB ALA 10 -5.750 7.016 3.466 65 NH1 ARG 11 NH1 ARG 11 -6.124 16.273 0.273 66 NH2 ARG 11 NH2 ARG 11 -5.232 16.204 -1.815 67 H ARG 11 H ARG 11 -6.079 9.687 2.897 68 HA ARG 11 HA ARG 11 -3.282 10.641 3.159 69 1HB ARG 11 1HB ARG 11 -4.004 10.323 0.916 70 2HB ARG 11 2HB ARG 11 -5.531 11.155 1.175 71 1HG ARG 11 1HG ARG 11 -3.023 12.827 1.516 72 2HG ARG 11 2HG ARG 11 -3.432 12.314 -0.122 73 1HD ARG 11 1HD ARG 11 -5.022 14.133 1.752 74 2HD ARG 11 2HD ARG 11 -5.907 13.207 0.541 75 HE ARG 11 HE ARG 11 -3.664 14.554 -0.785 76 1HH1 ARG 11 1HH1 ARG 11 -6.640 17.096 -0.059 77 2HH1 ARG 11 2HH1 ARG 11 -6.184 15.845 1.204 78 1HH2 ARG 11 1HH2 ARG 11 -4.646 15.699 -2.489 79 2HH2 ARG 11 2HH2 ARG 11 -5.777 17.056 -1.991 80 H ALA 12 H ALA 12 -6.487 11.989 3.754 81 HA ALA 12 HA ALA 12 -5.837 14.820 4.028 82 1HB ALA 12 1HB ALA 12 -7.984 15.040 5.261 83 2HB ALA 12 2HB ALA 12 -8.175 14.032 3.812 84 3HB ALA 12 3HB ALA 12 -8.110 13.271 5.422 85 H PHE 13 H PHE 13 -5.555 12.088 6.229 86 HA PHE 13 HA PHE 13 -5.243 13.499 8.762 87 1HB PHE 13 1HB PHE 13 -4.027 10.767 8.041 88 2HB PHE 13 2HB PHE 13 -5.712 10.994 8.432 89 HD1 PHE 13 HD1 PHE 13 -3.441 13.214 10.296 90 HD2 PHE 13 HD2 PHE 13 -5.227 9.297 10.309 91 HE1 PHE 13 HE1 PHE 13 -2.871 12.949 12.676 92 HE2 PHE 13 HE2 PHE 13 -4.649 9.053 12.688 93 HZ PHE 13 HZ PHE 13 -3.499 10.885 13.882 94 H LEU 14 H LEU 14 -2.837 12.171 6.478 95 HA LEU 14 HA LEU 14 -0.460 13.206 7.938 96 1HB LEU 14 1HB LEU 14 -0.376 12.350 5.009 97 2HB LEU 14 2HB LEU 14 0.883 12.246 6.221 98 HG LEU 14 HG LEU 14 -1.683 10.544 6.329 99 1HD1 LEU 14 1HD1 LEU 14 -0.329 8.661 5.397 100 2HD1 LEU 14 2HD1 LEU 14 -0.417 10.001 4.239 101 3HD1 LEU 14 3HD1 LEU 14 1.073 9.740 5.180 102 1HD2 LEU 14 1HD2 LEU 14 1.004 10.230 7.828 103 2HD2 LEU 14 2HD2 LEU 14 -0.547 10.729 8.546 104 3HD2 LEU 14 3HD2 LEU 14 -0.365 9.091 7.900 105 H SER 15 H SER 15 1.132 14.301 6.042 106 HA SER 15 HA SER 15 -0.111 17.059 5.675 107 1HB SER 15 1HB SER 15 2.699 16.069 6.206 108 2HB SER 15 2HB SER 15 2.509 17.587 5.325 109 HG SER 15 HG SER 15 2.567 17.680 7.668 110 H GLU 16 H GLU 16 1.390 18.212 3.826 111 HA GLU 16 HA GLU 16 0.489 16.956 1.248 112 1HB GLU 16 1HB GLU 16 1.597 19.201 0.325 113 2HB GLU 16 2HB GLU 16 1.544 19.701 2.004 114 1HG GLU 16 1HG GLU 16 -1.053 18.947 1.833 115 2HG GLU 16 2HG GLU 16 -0.782 19.127 0.108 116 H GLU 17 H GLU 17 3.487 17.847 2.890 117 HA GLU 17 HA GLU 17 5.286 17.088 0.607 118 1HB GLU 17 1HB GLU 17 5.975 17.907 3.476 119 2HB GLU 17 2HB GLU 17 7.171 17.502 2.261 120 1HG GLU 17 1HG GLU 17 5.121 19.721 1.705 121 2HG GLU 17 2HG GLU 17 6.674 19.460 0.930 122 H MET 18 H MET 18 4.131 15.725 3.644 123 HA MET 18 HA MET 18 5.897 13.478 4.027 124 1HB MET 18 1HB MET 18 2.913 13.724 4.714 125 2HB MET 18 2HB MET 18 4.278 14.102 5.750 126 1HG MET 18 1HG MET 18 3.110 11.399 5.055 127 2HG MET 18 2HG MET 18 4.868 11.457 5.264 128 1HE MET 18 1HE MET 18 5.029 13.532 8.699 129 2HE MET 18 2HE MET 18 6.018 12.180 8.072 130 3HE MET 18 3HE MET 18 5.597 13.547 6.999 131 H ILE 19 H ILE 19 3.131 13.931 1.889 132 HA ILE 19 HA ILE 19 2.673 11.168 1.051 133 HB ILE 19 HB ILE 19 2.096 13.722 -0.537 134 1HG1 ILE 19 1HG1 ILE 19 0.917 13.104 1.883 135 2HG1 ILE 19 2HG1 ILE 19 0.132 14.016 0.611 136 1HG2 ILE 19 1HG2 ILE 19 0.492 12.342 -1.878 137 2HG2 ILE 19 2HG2 ILE 19 2.128 11.708 -2.043 138 3HG2 ILE 19 3HG2 ILE 19 0.967 10.878 -0.982 139 1HD1 ILE 19 1HD1 ILE 19 -0.290 11.008 1.089 140 2HD1 ILE 19 2HD1 ILE 19 -1.431 12.331 1.404 141 3HD1 ILE 19 3HD1 ILE 19 -0.986 11.930 -0.271 142 H ALA 20 H ALA 20 4.731 13.775 -0.239 143 HA ALA 20 HA ALA 20 5.703 12.528 -2.660 144 1HB ALA 20 1HB ALA 20 6.006 14.980 -1.765 145 2HB ALA 20 2HB ALA 20 7.486 14.371 -0.997 146 3HB ALA 20 3HB ALA 20 7.301 14.282 -2.767 147 H GLU 21 H GLU 21 6.687 12.192 0.710 148 HA GLU 21 HA GLU 21 9.260 10.798 0.226 149 1HB GLU 21 1HB GLU 21 8.448 12.168 2.339 150 2HB GLU 21 2HB GLU 21 7.768 10.645 2.874 151 1HG GLU 21 1HG GLU 21 10.694 11.434 2.563 152 2HG GLU 21 2HG GLU 21 10.290 9.740 2.339 153 H PHE 22 H PHE 22 5.922 9.859 0.849 154 HA PHE 22 HA PHE 22 6.289 7.008 1.423 155 1HB PHE 22 1HB PHE 22 3.813 6.874 0.482 156 2HB PHE 22 2HB PHE 22 3.894 8.614 0.396 157 HD1 PHE 22 HD1 PHE 22 3.363 5.748 2.573 158 HD2 PHE 22 HD2 PHE 22 4.480 9.905 2.638 159 HE1 PHE 22 HE1 PHE 22 2.697 5.901 4.936 160 HE2 PHE 22 HE2 PHE 22 3.833 10.029 5.010 161 HZ PHE 22 HZ PHE 22 2.968 8.026 6.169 162 H LYS 23 H LYS 23 5.202 8.631 -1.577 163 HA LYS 23 HA LYS 23 5.294 6.410 -3.402 164 1HB LYS 23 1HB LYS 23 5.706 8.179 -5.242 165 2HB LYS 23 2HB LYS 23 4.239 8.319 -4.296 166 1HG LYS 23 1HG LYS 23 5.460 10.087 -2.850 167 2HG LYS 23 2HG LYS 23 6.791 10.010 -3.987 168 1HD LYS 23 1HD LYS 23 5.309 11.959 -4.474 169 2HD LYS 23 2HD LYS 23 5.383 10.839 -5.825 170 1HE LYS 23 1HE LYS 23 3.158 10.016 -5.494 171 2HE LYS 23 2HE LYS 23 3.063 10.598 -3.831 172 1HZ LYS 23 1HZ LYS 23 2.571 12.706 -4.537 173 2HZ LYS 23 2HZ LYS 23 3.459 12.618 -5.927 174 3HZ LYS 23 3HZ LYS 23 1.976 11.894 -5.847 175 H ALA 24 H ALA 24 7.844 8.561 -2.244 176 HA ALA 24 HA ALA 24 10.006 8.136 -4.040 177 1HB ALA 24 1HB ALA 24 11.543 8.629 -2.148 178 2HB ALA 24 2HB ALA 24 10.144 9.721 -2.141 179 3HB ALA 24 3HB ALA 24 10.229 8.376 -0.974 180 H ALA 25 H ALA 25 9.402 6.251 -1.052 181 HA ALA 25 HA ALA 25 11.447 4.184 -1.586 182 1HB ALA 25 1HB ALA 25 10.499 3.031 0.405 183 2HB ALA 25 2HB ALA 25 10.764 4.754 0.727 184 3HB ALA 25 3HB ALA 25 9.114 4.148 0.433 185 H PHE 26 H PHE 26 8.008 4.530 -2.223 186 HA PHE 26 HA PHE 26 7.192 1.830 -2.783 187 1HB PHE 26 1HB PHE 26 6.182 4.305 -4.304 188 2HB PHE 26 2HB PHE 26 5.706 3.932 -2.669 189 HD1 PHE 26 HD1 PHE 26 4.699 1.406 -2.340 190 HD2 PHE 26 HD2 PHE 26 4.860 3.496 -6.097 191 HE1 PHE 26 HE1 PHE 26 2.924 -0.046 -3.237 192 HE2 PHE 26 HE2 PHE 26 3.095 2.025 -6.981 193 HZ PHE 26 HZ PHE 26 2.103 0.276 -5.546 194 H ASP 27 H ASP 27 8.976 4.166 -4.728 195 HA ASP 27 HA ASP 27 8.917 2.639 -7.273 196 1HB ASP 27 1HB ASP 27 9.324 5.233 -6.917 197 2HB ASP 27 2HB ASP 27 10.998 4.789 -6.679 198 H MET 28 H MET 28 11.057 2.885 -4.493 199 HA MET 28 HA MET 28 13.497 1.698 -5.382 200 1HB MET 28 1HB MET 28 12.712 2.484 -2.925 201 2HB MET 28 2HB MET 28 12.433 0.767 -2.696 202 1HG MET 28 1HG MET 28 14.784 0.213 -3.054 203 2HG MET 28 2HG MET 28 15.143 1.821 -3.702 204 1HE MET 28 1HE MET 28 16.420 3.244 -2.604 205 2HE MET 28 2HE MET 28 15.169 4.237 -1.798 206 3HE MET 28 3HE MET 28 16.541 3.591 -0.850 207 H PHE 29 H PHE 29 10.473 0.106 -4.403 208 HA PHE 29 HA PHE 29 11.558 -2.675 -4.957 209 1HB PHE 29 1HB PHE 29 8.727 -1.880 -4.020 210 2HB PHE 29 2HB PHE 29 9.346 -3.503 -4.156 211 HD1 PHE 29 HD1 PHE 29 10.380 -0.279 -2.416 212 HD2 PHE 29 HD2 PHE 29 10.059 -4.566 -2.182 213 HE1 PHE 29 HE1 PHE 29 11.284 -0.235 -0.128 214 HE2 PHE 29 HE2 PHE 29 10.947 -4.496 0.111 215 HZ PHE 29 HZ PHE 29 11.562 -2.337 1.141 216 H ASP 30 H ASP 30 9.312 -0.279 -6.243 217 HA ASP 30 HA ASP 30 8.124 -2.022 -8.339 218 1HB ASP 30 1HB ASP 30 6.776 -0.171 -7.499 219 2HB ASP 30 2HB ASP 30 7.992 1.010 -7.929 220 H ALA 31 H ALA 31 8.295 -1.385 -10.669 221 HA ALA 31 HA ALA 31 11.079 -1.575 -11.622 222 1HB ALA 31 1HB ALA 31 10.072 -1.571 -13.908 223 2HB ALA 31 2HB ALA 31 9.228 -2.690 -12.819 224 3HB ALA 31 3HB ALA 31 8.484 -1.125 -13.238 225 H ASP 32 H ASP 32 8.683 0.783 -12.772 226 HA ASP 32 HA ASP 32 10.373 3.166 -12.030 227 1HB ASP 32 1HB ASP 32 10.076 2.297 -14.933 228 2HB ASP 32 2HB ASP 32 11.507 2.809 -14.067 229 H GLY 33 H GLY 33 7.841 2.580 -14.488 230 1HA GLY 33 1HA GLY 33 5.967 4.520 -13.010 231 2HA GLY 33 2HA GLY 33 5.987 4.321 -14.765 232 H GLY 34 H GLY 34 6.259 1.637 -12.490 233 1HA GLY 34 1HA GLY 34 4.879 -0.318 -12.108 234 2HA GLY 34 2HA GLY 34 4.284 -0.069 -13.753 235 H GLY 35 H GLY 35 3.915 1.168 -10.438 236 1HA GLY 35 1HA GLY 35 0.924 1.687 -10.953 237 2HA GLY 35 2HA GLY 35 1.891 2.713 -9.888 238 H ASP 36 H ASP 36 1.967 -0.822 -10.184 239 HA ASP 36 HA ASP 36 1.205 -1.098 -7.232 240 1HB ASP 36 1HB ASP 36 -0.533 -2.484 -7.588 241 2HB ASP 36 2HB ASP 36 -0.552 -1.830 -9.210 242 H ILE 37 H ILE 37 1.987 -3.075 -6.266 243 HA ILE 37 HA ILE 37 4.328 -4.491 -7.594 244 HB ILE 37 HB ILE 37 5.797 -4.167 -5.581 245 1HG1 ILE 37 1HG1 ILE 37 4.910 -1.552 -4.685 246 2HG1 ILE 37 2HG1 ILE 37 3.524 -2.612 -4.544 247 1HG2 ILE 37 1HG2 ILE 37 6.750 -2.000 -6.379 248 2HG2 ILE 37 2HG2 ILE 37 6.204 -2.970 -7.755 249 3HG2 ILE 37 3HG2 ILE 37 5.225 -1.591 -7.202 250 1HD1 ILE 37 1HD1 ILE 37 6.234 -3.128 -3.189 251 2HD1 ILE 37 2HD1 ILE 37 4.709 -2.635 -2.422 252 3HD1 ILE 37 3HD1 ILE 37 4.848 -4.251 -3.152 253 H SER 38 H SER 38 4.979 -6.360 -6.236 254 HA SER 38 HA SER 38 2.710 -7.999 -5.400 255 1HB SER 38 1HB SER 38 4.212 -9.620 -5.731 256 2HB SER 38 2HB SER 38 5.127 -9.111 -4.295 257 HG SER 38 HG SER 38 5.419 -8.239 -6.964 258 H THR 39 H THR 39 2.018 -8.625 -3.410 259 HA THR 39 HA THR 39 2.280 -6.686 -1.158 260 HB THR 39 HB THR 39 0.102 -7.751 -1.712 261 HG1 THR 39 HG1 THR 39 0.131 -8.614 0.744 262 1HG2 THR 39 1HG2 THR 39 -0.493 -10.006 -0.943 263 2HG2 THR 39 2HG2 THR 39 0.827 -10.140 -2.127 264 3HG2 THR 39 3HG2 THR 39 1.166 -10.322 -0.385 265 H LYS 40 H LYS 40 3.527 -9.862 -1.999 266 HA LYS 40 HA LYS 40 4.338 -10.977 0.498 267 1HB LYS 40 1HB LYS 40 4.703 -11.720 -2.130 268 2HB LYS 40 2HB LYS 40 6.344 -11.242 -1.753 269 1HG LYS 40 1HG LYS 40 6.115 -12.836 0.345 270 2HG LYS 40 2HG LYS 40 4.672 -13.452 -0.436 271 1HD LYS 40 1HD LYS 40 6.320 -13.808 -2.555 272 2HD LYS 40 2HD LYS 40 7.577 -13.671 -1.336 273 1HE LYS 40 1HE LYS 40 6.823 -15.629 -0.119 274 2HE LYS 40 2HE LYS 40 5.286 -15.696 -0.983 275 1HZ LYS 40 1HZ LYS 40 6.588 -17.291 -2.024 276 2HZ LYS 40 2HZ LYS 40 6.795 -16.015 -3.054 277 3HZ LYS 40 3HZ LYS 40 7.981 -16.405 -1.972 278 H GLU 41 H GLU 41 5.805 -8.393 -1.390 279 HA GLU 41 HA GLU 41 8.195 -8.189 0.481 280 1HB GLU 41 1HB GLU 41 8.891 -6.384 -1.334 281 2HB GLU 41 2HB GLU 41 7.658 -7.142 -2.323 282 1HG GLU 41 1HG GLU 41 8.855 -9.391 -2.029 283 2HG GLU 41 2HG GLU 41 10.109 -8.575 -1.112 284 H LEU 42 H LEU 42 5.291 -6.497 -0.532 285 HA LEU 42 HA LEU 42 5.559 -3.827 0.130 286 1HB LEU 42 1HB LEU 42 3.318 -5.717 0.095 287 2HB LEU 42 2HB LEU 42 3.376 -4.039 -0.405 288 HG LEU 42 HG LEU 42 3.125 -4.731 2.572 289 1HD1 LEU 42 1HD1 LEU 42 1.953 -2.512 2.675 290 2HD1 LEU 42 2HD1 LEU 42 3.590 -2.344 2.024 291 3HD1 LEU 42 3HD1 LEU 42 2.191 -2.288 0.923 292 1HD2 LEU 42 1HD2 LEU 42 0.752 -4.549 0.595 293 2HD2 LEU 42 2HD2 LEU 42 1.296 -6.017 1.444 294 3HD2 LEU 42 3HD2 LEU 42 0.631 -4.660 2.370 295 H GLY 43 H GLY 43 5.158 -6.475 2.478 296 1HA GLY 43 1HA GLY 43 5.475 -6.573 4.895 297 2HA GLY 43 2HA GLY 43 5.028 -4.865 4.913 298 H THR 44 H THR 44 7.785 -6.617 3.421 299 HA THR 44 HA THR 44 9.939 -5.915 5.051 300 HB THR 44 HB THR 44 9.791 -6.354 2.086 301 HG1 THR 44 HG1 THR 44 10.575 -7.577 4.350 302 1HG2 THR 44 1HG2 THR 44 12.248 -6.021 1.791 303 2HG2 THR 44 2HG2 THR 44 11.427 -4.478 2.107 304 3HG2 THR 44 3HG2 THR 44 12.356 -5.272 3.404 305 H VAL 45 H VAL 45 8.133 -3.879 2.826 306 HA VAL 45 HA VAL 45 9.929 -1.513 2.921 307 HB VAL 45 HB VAL 45 8.659 -0.561 1.333 308 1HG1 VAL 45 1HG1 VAL 45 5.986 -1.606 2.459 309 2HG1 VAL 45 2HG1 VAL 45 6.714 -0.072 2.952 310 3HG1 VAL 45 3HG1 VAL 45 6.232 -0.312 1.257 311 1HG2 VAL 45 1HG2 VAL 45 7.555 -2.097 -0.209 312 2HG2 VAL 45 2HG2 VAL 45 8.874 -3.017 0.552 313 3HG2 VAL 45 3HG2 VAL 45 7.207 -3.272 1.087 314 H MET 46 H MET 46 6.838 -2.462 4.440 315 HA MET 46 HA MET 46 6.241 -0.259 6.161 316 1HB MET 46 1HB MET 46 6.074 -3.175 7.105 317 2HB MET 46 2HB MET 46 5.157 -1.804 7.702 318 1HG MET 46 1HG MET 46 4.008 -3.492 6.016 319 2HG MET 46 2HG MET 46 4.898 -2.620 4.758 320 1HE MET 46 1HE MET 46 0.971 -1.430 6.607 321 2HE MET 46 2HE MET 46 1.748 -3.022 6.361 322 3HE MET 46 3HE MET 46 2.156 -2.046 7.802 323 NH1 ARG 47 NH1 ARG 47 10.216 -8.154 10.992 324 NH2 ARG 47 NH2 ARG 47 12.454 -8.395 10.687 325 H ARG 47 H ARG 47 8.807 -2.662 6.376 326 HA ARG 47 HA ARG 47 9.706 -1.880 9.146 327 1HB ARG 47 1HB ARG 47 10.427 -4.040 7.165 328 2HB ARG 47 2HB ARG 47 11.736 -3.475 8.192 329 1HG ARG 47 1HG ARG 47 9.070 -4.200 9.496 330 2HG ARG 47 2HG ARG 47 10.678 -4.153 10.222 331 1HD ARG 47 1HD ARG 47 9.372 -6.465 9.239 332 2HD ARG 47 2HD ARG 47 10.515 -6.101 7.949 333 HE ARG 47 HE ARG 47 12.303 -6.009 9.959 334 1HH1 ARG 47 1HH1 ARG 47 10.254 -9.080 11.432 335 2HH1 ARG 47 2HH1 ARG 47 9.391 -7.550 10.899 336 1HH2 ARG 47 1HH2 ARG 47 13.312 -8.042 10.249 337 2HH2 ARG 47 2HH2 ARG 47 12.362 -9.235 11.268 338 H MET 48 H MET 48 10.760 -1.488 5.781 339 HA MET 48 HA MET 48 13.321 -0.099 6.473 340 1HB MET 48 1HB MET 48 12.526 -1.513 4.243 341 2HB MET 48 2HB MET 48 12.272 0.123 3.661 342 1HG MET 48 1HG MET 48 14.689 -1.211 3.509 343 2HG MET 48 2HG MET 48 14.933 -0.317 5.018 344 1HE MET 48 1HE MET 48 15.594 2.739 4.759 345 2HE MET 48 2HE MET 48 16.450 1.169 4.777 346 3HE MET 48 3HE MET 48 16.763 2.338 3.461 347 H LEU 49 H LEU 49 10.208 0.925 6.744 348 HA LEU 49 HA LEU 49 10.678 3.797 5.856 349 1HB LEU 49 1HB LEU 49 8.260 4.010 6.971 350 2HB LEU 49 2HB LEU 49 8.235 2.264 6.856 351 HG LEU 49 HG LEU 49 8.231 2.263 4.464 352 1HD1 LEU 49 1HD1 LEU 49 6.328 3.750 3.821 353 2HD1 LEU 49 2HD1 LEU 49 6.041 3.019 5.411 354 3HD1 LEU 49 3HD1 LEU 49 6.553 4.721 5.298 355 1HD2 LEU 49 1HD2 LEU 49 9.064 5.242 4.480 356 2HD2 LEU 49 2HD2 LEU 49 10.094 3.866 4.012 357 3HD2 LEU 49 3HD2 LEU 49 8.680 4.279 3.030 358 H GLY 50 H GLY 50 10.317 1.739 8.704 359 1HA GLY 50 1HA GLY 50 12.122 2.598 10.531 360 2HA GLY 50 2HA GLY 50 11.101 4.039 10.563 361 H GLN 51 H GLN 51 10.207 0.601 10.323 362 HA GLN 51 HA GLN 51 8.573 0.815 12.920 363 1HB GLN 51 1HB GLN 51 7.647 -0.705 10.414 364 2HB GLN 51 2HB GLN 51 6.782 -0.520 11.929 365 1HG GLN 51 1HG GLN 51 7.017 2.127 11.358 366 2HG GLN 51 2HG GLN 51 7.198 1.532 9.721 367 1HE2 GLN 51 1HE2 GLN 51 3.487 2.080 10.752 368 2HE2 GLN 51 2HE2 GLN 51 5.004 3.070 11.042 369 H ASN 52 H ASN 52 7.985 -1.446 13.672 370 HA ASN 52 HA ASN 52 10.011 -3.591 12.979 371 1HB ASN 52 1HB ASN 52 9.596 -2.901 15.917 372 2HB ASN 52 2HB ASN 52 10.875 -3.852 15.194 373 1HD2 ASN 52 1HD2 ASN 52 11.215 0.234 15.587 374 2HD2 ASN 52 2HD2 ASN 52 9.700 -0.691 16.050 375 HA PRO 53 HA PRO 53 5.562 -5.093 14.352 376 1HB PRO 53 1HB PRO 53 4.363 -5.754 11.964 377 2HB PRO 53 2HB PRO 53 4.390 -4.113 12.630 378 1HG PRO 53 1HG PRO 53 6.225 -5.276 10.477 379 2HG PRO 53 2HG PRO 53 5.360 -3.722 10.453 380 1HD PRO 53 1HD PRO 53 8.037 -3.964 11.202 381 2HD PRO 53 2HD PRO 53 6.977 -2.691 11.880 382 H THR 54 H THR 54 4.555 -7.330 13.007 383 HA THR 54 HA THR 54 6.760 -9.400 13.472 384 HB THR 54 HB THR 54 3.947 -10.386 13.535 385 HG1 THR 54 HG1 THR 54 3.577 -9.572 15.549 386 1HG2 THR 54 1HG2 THR 54 4.738 -11.667 15.498 387 2HG2 THR 54 2HG2 THR 54 5.876 -11.877 14.147 388 3HG2 THR 54 3HG2 THR 54 6.288 -10.792 15.500 389 H LYS 55 H LYS 55 6.970 -11.094 12.038 390 HA LYS 55 HA LYS 55 6.349 -10.615 9.179 391 1HB LYS 55 1HB LYS 55 7.152 -13.203 9.107 392 2HB LYS 55 2HB LYS 55 7.726 -12.850 10.723 393 1HG LYS 55 1HG LYS 55 9.306 -11.223 9.953 394 2HG LYS 55 2HG LYS 55 8.480 -10.977 8.427 395 1HD LYS 55 1HD LYS 55 9.151 -13.594 8.031 396 2HD LYS 55 2HD LYS 55 10.202 -12.248 7.620 397 1HE LYS 55 1HE LYS 55 10.985 -12.627 10.250 398 2HE LYS 55 2HE LYS 55 10.534 -14.280 9.829 399 1HZ LYS 55 1HZ LYS 55 12.696 -12.623 8.759 400 2HZ LYS 55 2HZ LYS 55 12.670 -14.243 9.078 401 3HZ LYS 55 3HZ LYS 55 11.983 -13.663 7.692 402 H GLU 56 H GLU 56 5.024 -12.585 11.788 403 HA GLU 56 HA GLU 56 3.128 -14.246 10.327 404 1HB GLU 56 1HB GLU 56 2.758 -13.160 13.167 405 2HB GLU 56 2HB GLU 56 1.899 -14.508 12.449 406 1HG GLU 56 1HG GLU 56 3.970 -14.929 14.078 407 2HG GLU 56 2HG GLU 56 4.958 -14.601 12.664 408 H GLU 57 H GLU 57 3.051 -10.901 11.412 409 HA GLU 57 HA GLU 57 0.151 -10.417 11.090 410 1HB GLU 57 1HB GLU 57 0.644 -8.027 11.346 411 2HB GLU 57 2HB GLU 57 2.355 -8.288 11.073 412 1HG GLU 57 1HG GLU 57 2.008 -9.951 13.258 413 2HG GLU 57 2HG GLU 57 2.498 -8.268 13.360 414 H LEU 58 H LEU 58 2.989 -10.169 9.015 415 HA LEU 58 HA LEU 58 1.830 -8.769 6.726 416 1HB LEU 58 1HB LEU 58 4.194 -8.924 6.719 417 2HB LEU 58 2HB LEU 58 4.207 -10.640 7.066 418 HG LEU 58 HG LEU 58 3.161 -9.574 4.380 419 1HD1 LEU 58 1HD1 LEU 58 4.383 -12.323 5.059 420 2HD1 LEU 58 2HD1 LEU 58 2.643 -12.000 5.064 421 3HD1 LEU 58 3HD1 LEU 58 3.565 -11.846 3.549 422 1HD2 LEU 58 1HD2 LEU 58 5.401 -9.880 3.384 423 2HD2 LEU 58 2HD2 LEU 58 5.551 -8.752 4.755 424 3HD2 LEU 58 3HD2 LEU 58 6.072 -10.437 4.938 425 H ASP 59 H ASP 59 1.809 -12.126 7.787 426 HA ASP 59 HA ASP 59 0.690 -13.356 5.369 427 1HB ASP 59 1HB ASP 59 0.851 -14.327 8.263 428 2HB ASP 59 2HB ASP 59 -0.048 -15.231 7.066 429 H ALA 60 H ALA 60 -0.747 -12.011 8.327 430 HA ALA 60 HA ALA 60 -3.561 -12.735 7.854 431 1HB ALA 60 1HB ALA 60 -4.090 -10.982 9.542 432 2HB ALA 60 2HB ALA 60 -2.764 -12.028 10.087 433 3HB ALA 60 3HB ALA 60 -2.414 -10.385 9.493 434 H ILE 61 H ILE 61 -1.544 -9.946 6.972 435 HA ILE 61 HA ILE 61 -3.403 -8.117 5.887 436 HB ILE 61 HB ILE 61 -0.575 -8.667 4.869 437 1HG1 ILE 61 1HG1 ILE 61 -0.580 -6.140 6.117 438 2HG1 ILE 61 2HG1 ILE 61 0.076 -7.619 6.784 439 1HG2 ILE 61 1HG2 ILE 61 -0.667 -6.437 3.723 440 2HG2 ILE 61 2HG2 ILE 61 -1.876 -7.531 3.054 441 3HG2 ILE 61 3HG2 ILE 61 -2.378 -6.251 4.183 442 1HD1 ILE 61 1HD1 ILE 61 -1.995 -8.108 8.055 443 2HD1 ILE 61 2HD1 ILE 61 -1.407 -6.471 8.415 444 3HD1 ILE 61 3HD1 ILE 61 -2.801 -6.689 7.332 445 H ILE 62 H ILE 62 -2.102 -11.112 4.568 446 HA ILE 62 HA ILE 62 -3.138 -10.772 1.792 447 HB ILE 62 HB ILE 62 -1.719 -13.009 3.263 448 1HG1 ILE 62 1HG1 ILE 62 -0.429 -12.769 0.841 449 2HG1 ILE 62 2HG1 ILE 62 -1.097 -11.153 0.937 450 1HG2 ILE 62 1HG2 ILE 62 -1.960 -14.557 1.304 451 2HG2 ILE 62 2HG2 ILE 62 -3.536 -14.216 2.014 452 3HG2 ILE 62 3HG2 ILE 62 -3.060 -13.406 0.505 453 1HD1 ILE 62 1HD1 ILE 62 0.793 -12.366 3.038 454 2HD1 ILE 62 2HD1 ILE 62 1.153 -11.093 1.854 455 3HD1 ILE 62 3HD1 ILE 62 0.007 -10.769 3.175 456 H GLU 63 H GLU 63 -4.170 -12.403 4.756 457 HA GLU 63 HA GLU 63 -6.529 -13.803 3.767 458 1HB GLU 63 1HB GLU 63 -6.082 -12.608 6.553 459 2HB GLU 63 2HB GLU 63 -5.552 -14.191 6.018 460 1HG GLU 63 1HG GLU 63 -8.199 -14.539 5.492 461 2HG GLU 63 2HG GLU 63 -8.379 -13.230 6.648 462 H GLU 64 H GLU 64 -5.900 -10.433 4.486 463 HA GLU 64 HA GLU 64 -8.750 -9.572 4.618 464 1HB GLU 64 1HB GLU 64 -6.351 -7.705 4.326 465 2HB GLU 64 2HB GLU 64 -6.715 -8.513 5.838 466 1HG GLU 64 1HG GLU 64 -7.673 -6.299 5.988 467 2HG GLU 64 2HG GLU 64 -8.380 -6.384 4.384 468 H VAL 65 H VAL 65 -6.083 -8.594 2.434 469 HA VAL 65 HA VAL 65 -7.891 -7.361 0.442 470 HB VAL 65 HB VAL 65 -5.554 -6.555 0.896 471 1HG1 VAL 65 1HG1 VAL 65 -6.016 -7.144 -2.099 472 2HG1 VAL 65 2HG1 VAL 65 -6.910 -5.912 -1.189 473 3HG1 VAL 65 3HG1 VAL 65 -5.147 -5.763 -1.384 474 1HG2 VAL 65 1HG2 VAL 65 -3.571 -7.573 -0.111 475 2HG2 VAL 65 2HG2 VAL 65 -4.376 -8.857 0.823 476 3HG2 VAL 65 3HG2 VAL 65 -4.536 -8.820 -0.939 477 H ASP 66 H ASP 66 -5.910 -10.337 0.543 478 HA ASP 66 HA ASP 66 -7.160 -11.390 -1.999 479 1HB ASP 66 1HB ASP 66 -4.596 -11.642 -1.098 480 2HB ASP 66 2HB ASP 66 -5.251 -13.110 -0.410 481 H GLU 67 H GLU 67 -9.045 -11.004 -0.127 482 HA GLU 67 HA GLU 67 -9.772 -13.603 1.223 483 1HB GLU 67 1HB GLU 67 -10.501 -11.820 2.524 484 2HB GLU 67 2HB GLU 67 -10.983 -10.835 1.157 485 1HG GLU 67 1HG GLU 67 -13.078 -12.024 0.874 486 2HG GLU 67 2HG GLU 67 -12.541 -13.394 1.831 487 H ASP 68 H ASP 68 -10.749 -11.619 -1.554 488 HA ASP 68 HA ASP 68 -11.739 -14.030 -3.071 489 1HB ASP 68 1HB ASP 68 -13.746 -13.425 -1.722 490 2HB ASP 68 2HB ASP 68 -14.004 -13.315 -3.448 491 H GLY 69 H GLY 69 -9.550 -12.360 -3.441 492 1HA GLY 69 1HA GLY 69 -9.397 -10.014 -4.917 493 2HA GLY 69 2HA GLY 69 -10.188 -11.052 -6.108 494 H SER 70 H SER 70 -7.582 -9.821 -6.227 495 HA SER 70 HA SER 70 -5.864 -12.294 -6.771 496 1HB SER 70 1HB SER 70 -5.189 -9.623 -8.018 497 2HB SER 70 2HB SER 70 -6.639 -10.452 -8.590 498 HG SER 70 HG SER 70 -4.974 -12.358 -8.485 499 H GLY 71 H GLY 71 -3.410 -11.247 -6.978 500 1HA GLY 71 1HA GLY 71 -1.614 -11.222 -5.179 501 2HA GLY 71 2HA GLY 71 -2.730 -10.325 -4.144 502 H THR 72 H THR 72 -3.659 -8.342 -5.715 503 HA THR 72 HA THR 72 -1.232 -6.829 -6.761 504 HB THR 72 HB THR 72 -2.677 -5.427 -8.107 505 HG1 THR 72 HG1 THR 72 -4.678 -5.301 -7.799 506 1HG2 THR 72 1HG2 THR 72 -2.097 -7.318 -9.455 507 2HG2 THR 72 2HG2 THR 72 -3.166 -8.423 -8.562 508 3HG2 THR 72 3HG2 THR 72 -3.860 -7.183 -9.639 509 H ILE 73 H ILE 73 -0.879 -4.706 -6.132 510 HA ILE 73 HA ILE 73 -2.448 -3.562 -3.845 511 HB ILE 73 HB ILE 73 0.469 -4.367 -3.489 512 1HG1 ILE 73 1HG1 ILE 73 -1.421 -6.086 -3.078 513 2HG1 ILE 73 2HG1 ILE 73 -0.197 -5.880 -1.838 514 1HG2 ILE 73 1HG2 ILE 73 0.554 -3.234 -1.299 515 2HG2 ILE 73 2HG2 ILE 73 0.176 -2.038 -2.546 516 3HG2 ILE 73 3HG2 ILE 73 -1.113 -2.641 -1.476 517 1HD1 ILE 73 1HD1 ILE 73 -2.934 -4.480 -1.627 518 2HD1 ILE 73 2HD1 ILE 73 -2.576 -6.082 -0.946 519 3HD1 ILE 73 3HD1 ILE 73 -1.694 -4.654 -0.355 520 H ASP 74 H ASP 74 -2.927 -1.683 -4.695 521 HA ASP 74 HA ASP 74 -0.936 -0.027 -6.280 522 1HB ASP 74 1HB ASP 74 -2.563 1.213 -7.160 523 2HB ASP 74 2HB ASP 74 -3.445 1.328 -5.665 524 H PHE 75 H PHE 75 -1.192 2.436 -5.669 525 HA PHE 75 HA PHE 75 0.169 2.616 -3.002 526 1HB PHE 75 1HB PHE 75 -0.111 4.604 -5.322 527 2HB PHE 75 2HB PHE 75 1.298 3.671 -4.892 528 HD1 PHE 75 HD1 PHE 75 -0.243 6.865 -4.613 529 HD2 PHE 75 HD2 PHE 75 2.164 4.147 -2.302 530 HE1 PHE 75 HE1 PHE 75 0.708 8.756 -3.360 531 HE2 PHE 75 HE2 PHE 75 3.086 6.053 -1.043 532 HZ PHE 75 HZ PHE 75 2.330 8.351 -1.539 533 H GLU 76 H GLU 76 -2.884 3.426 -4.480 534 HA GLU 76 HA GLU 76 -3.888 5.429 -2.575 535 1HB GLU 76 1HB GLU 76 -5.985 5.224 -3.564 536 2HB GLU 76 2HB GLU 76 -5.819 3.511 -3.893 537 1HG GLU 76 1HG GLU 76 -3.942 5.360 -5.413 538 2HG GLU 76 2HG GLU 76 -4.673 3.848 -5.924 539 H GLU 77 H GLU 77 -4.518 1.921 -2.851 540 HA GLU 77 HA GLU 77 -5.743 1.543 -0.194 541 1HB GLU 77 1HB GLU 77 -5.695 -0.043 -2.350 542 2HB GLU 77 2HB GLU 77 -4.286 -0.735 -1.569 543 1HG GLU 77 1HG GLU 77 -5.766 -1.097 0.548 544 2HG GLU 77 2HG GLU 77 -7.145 -0.608 -0.424 545 H PHE 78 H PHE 78 -2.456 1.686 -1.401 546 HA PHE 78 HA PHE 78 -0.997 0.472 0.795 547 1HB PHE 78 1HB PHE 78 -0.125 2.705 -1.128 548 2HB PHE 78 2HB PHE 78 0.064 0.990 -1.382 549 HD1 PHE 78 HD1 PHE 78 2.084 3.569 -1.020 550 HD2 PHE 78 HD2 PHE 78 1.110 0.128 1.371 551 HE1 PHE 78 HE1 PHE 78 4.350 3.583 -0.056 552 HE2 PHE 78 HE2 PHE 78 3.363 0.187 2.358 553 HZ PHE 78 HZ PHE 78 4.995 1.892 1.627 554 H LEU 79 H LEU 79 -2.117 3.808 0.254 555 HA LEU 79 HA LEU 79 -0.989 4.983 2.743 556 1HB LEU 79 1HB LEU 79 -3.284 6.015 0.973 557 2HB LEU 79 2HB LEU 79 -2.529 6.915 2.269 558 HG LEU 79 HG LEU 79 -0.964 5.920 -0.190 559 1HD1 LEU 79 1HD1 LEU 79 -1.176 8.230 -1.119 560 2HD1 LEU 79 2HD1 LEU 79 -2.773 7.478 -0.947 561 3HD1 LEU 79 3HD1 LEU 79 -2.240 8.704 0.230 562 1HD2 LEU 79 1HD2 LEU 79 -0.253 8.060 1.927 563 2HD2 LEU 79 2HD2 LEU 79 0.511 6.460 1.752 564 3HD2 LEU 79 3HD2 LEU 79 0.711 7.673 0.480 565 H VAL 80 H VAL 80 -3.945 3.335 1.805 566 HA VAL 80 HA VAL 80 -5.639 4.113 4.072 567 HB VAL 80 HB VAL 80 -5.913 1.692 2.218 568 1HG1 VAL 80 1HG1 VAL 80 -8.303 1.580 2.960 569 2HG1 VAL 80 2HG1 VAL 80 -7.210 1.279 4.317 570 3HG1 VAL 80 3HG1 VAL 80 -8.008 2.861 4.164 571 1HG2 VAL 80 1HG2 VAL 80 -7.387 4.405 2.107 572 2HG2 VAL 80 2HG2 VAL 80 -6.121 3.878 0.974 573 3HG2 VAL 80 3HG2 VAL 80 -7.662 3.011 1.035 574 H MET 81 H MET 81 -3.325 1.518 3.486 575 HA MET 81 HA MET 81 -4.050 -0.104 5.901 576 1HB MET 81 1HB MET 81 -2.980 -0.905 3.583 577 2HB MET 81 2HB MET 81 -2.693 -1.752 5.092 578 1HG MET 81 1HG MET 81 -0.746 0.270 3.806 579 2HG MET 81 2HG MET 81 -0.469 -0.556 5.348 580 1HE MET 81 1HE MET 81 -0.791 -4.421 3.999 581 2HE MET 81 2HE MET 81 -0.987 -3.378 5.439 582 3HE MET 81 3HE MET 81 -2.254 -3.403 4.178 583 H MET 82 H MET 82 -1.667 2.314 4.967 584 HA MET 82 HA MET 82 0.245 1.968 7.165 585 1HB MET 82 1HB MET 82 1.159 4.184 6.540 586 2HB MET 82 2HB MET 82 -0.261 4.547 5.577 587 1HG MET 82 1HG MET 82 0.655 2.097 4.452 588 2HG MET 82 2HG MET 82 0.860 3.720 3.776 589 1HE MET 82 1HE MET 82 3.943 1.764 6.710 590 2HE MET 82 2HE MET 82 2.682 2.866 7.338 591 3HE MET 82 3HE MET 82 2.212 1.323 6.568 592 H VAL 83 H VAL 83 -2.509 4.179 6.676 593 HA VAL 83 HA VAL 83 -2.326 5.696 9.173 594 HB VAL 83 HB VAL 83 -4.549 5.252 7.171 595 1HG1 VAL 83 1HG1 VAL 83 -3.383 7.882 8.279 596 2HG1 VAL 83 2HG1 VAL 83 -2.719 7.048 6.867 597 3HG1 VAL 83 3HG1 VAL 83 -4.389 7.659 6.825 598 1HG2 VAL 83 1HG2 VAL 83 -6.200 6.539 8.428 599 2HG2 VAL 83 2HG2 VAL 83 -5.691 5.207 9.490 600 3HG2 VAL 83 3HG2 VAL 83 -5.063 6.838 9.768 601 NH1 ARG 84 NH1 ARG 84 -9.692 -2.114 8.344 602 NH2 ARG 84 NH2 ARG 84 -9.708 -1.854 6.087 603 H ARG 84 H ARG 84 -4.130 2.755 8.249 604 HA ARG 84 HA ARG 84 -5.597 2.118 10.647 605 1HB ARG 84 1HB ARG 84 -4.867 -0.402 9.889 606 2HB ARG 84 2HB ARG 84 -4.387 0.454 8.431 607 1HG ARG 84 1HG ARG 84 -7.184 0.922 9.577 608 2HG ARG 84 2HG ARG 84 -6.609 1.206 7.933 609 1HD ARG 84 1HD ARG 84 -6.140 -1.488 8.015 610 2HD ARG 84 2HD ARG 84 -7.399 -1.431 9.247 611 HE ARG 84 HE ARG 84 -7.978 -0.128 6.555 612 1HH1 ARG 84 1HH1 ARG 84 -10.498 -2.732 8.201 613 2HH1 ARG 84 2HH1 ARG 84 -9.278 -1.842 9.242 614 1HH2 ARG 84 1HH2 ARG 84 -9.251 -1.463 5.255 615 2HH2 ARG 84 2HH2 ARG 84 -10.568 -2.413 6.110 616 H GLN 85 H GLN 85 -2.255 1.161 9.774 617 HA GLN 85 HA GLN 85 -1.639 -0.330 12.222 618 1HB GLN 85 1HB GLN 85 -0.035 0.741 9.903 619 2HB GLN 85 2HB GLN 85 0.854 0.491 11.395 620 1HG GLN 85 1HG GLN 85 0.774 -1.464 9.678 621 2HG GLN 85 2HG GLN 85 -0.885 -1.730 10.170 622 1HE2 GLN 85 1HE2 GLN 85 0.053 -3.195 13.363 623 2HE2 GLN 85 2HE2 GLN 85 -1.261 -2.251 12.497 624 H MET 86 H MET 86 -1.363 3.060 11.301 625 HA MET 86 HA MET 86 0.449 4.054 13.352 626 1HB MET 86 1HB MET 86 -1.805 5.843 12.374 627 2HB MET 86 2HB MET 86 -0.653 5.240 11.196 628 1HG MET 86 1HG MET 86 0.597 7.083 11.740 629 2HG MET 86 2HG MET 86 1.089 6.172 13.177 630 1HE MET 86 1HE MET 86 1.292 7.174 15.099 631 2HE MET 86 2HE MET 86 1.315 8.913 14.680 632 3HE MET 86 3HE MET 86 0.200 8.316 15.944 633 H LYS 87 H LYS 87 -3.067 3.600 13.291 634 HA LYS 87 HA LYS 87 -3.680 4.784 15.938 635 1HB LYS 87 1HB LYS 87 -5.199 3.170 13.902 636 2HB LYS 87 2HB LYS 87 -5.745 2.964 15.552 637 1HG LYS 87 1HG LYS 87 -6.497 4.995 13.764 638 2HG LYS 87 2HG LYS 87 -5.342 5.833 14.780 639 1HD LYS 87 1HD LYS 87 -8.030 4.597 15.568 640 2HD LYS 87 2HD LYS 87 -6.771 4.739 16.785 641 1HE LYS 87 1HE LYS 87 -6.613 7.210 16.433 642 2HE LYS 87 2HE LYS 87 -7.825 7.140 15.153 643 1HZ LYS 87 1HZ LYS 87 -8.184 6.777 18.055 644 2HZ LYS 87 2HZ LYS 87 -9.073 7.680 16.995 645 3HZ LYS 87 3HZ LYS 87 -9.255 6.038 17.037 646 H GLU 88 H GLU 88 -3.115 1.472 14.733 647 HA GLU 88 HA GLU 88 -2.329 -0.522 15.821 648 1HB GLU 88 1HB GLU 88 -0.794 1.324 16.924 649 2HB GLU 88 2HB GLU 88 -1.780 1.079 18.352 650 1HG GLU 88 1HG GLU 88 -0.943 -1.096 18.752 651 2HG GLU 88 2HG GLU 88 -0.611 -1.415 17.058 652 H ASP 89 H ASP 89 -2.747 -1.729 18.046 653 HA ASP 89 HA ASP 89 -5.708 -2.054 18.242 654 1HB ASP 89 1HB ASP 89 -3.597 -3.490 19.948 655 2HB ASP 89 2HB ASP 89 -4.029 -3.989 18.329 656 H ALA 90 H ALA 90 -3.092 -1.156 20.503 657 HA ALA 90 HA ALA 90 -5.062 0.545 22.123 658 1HB ALA 90 1HB ALA 90 -4.403 -1.824 23.191 659 2HB ALA 90 2HB ALA 90 -2.870 -1.019 23.582 660 3HB ALA 90 3HB ALA 90 -4.400 -0.373 24.224 Start of MODEL 22 Raw file had 660 H/Q atoms Start of MODEL 22 1 1H ALA 1 1H ALA 1 -22.910 3.789 7.998 2 2H ALA 1 2H ALA 1 -21.542 4.340 8.805 3 3H ALA 1 3H ALA 1 -22.693 5.436 8.257 4 HA ALA 1 HA ALA 1 -22.256 4.604 5.958 5 1HB ALA 1 1HB ALA 1 -20.701 6.346 5.609 6 2HB ALA 1 2HB ALA 1 -21.392 6.819 7.173 7 3HB ALA 1 3HB ALA 1 -19.796 6.028 7.108 8 H SER 2 H SER 2 -20.284 3.950 4.685 9 HA SER 2 HA SER 2 -18.811 1.601 6.006 10 1HB SER 2 1HB SER 2 -19.031 1.503 3.037 11 2HB SER 2 2HB SER 2 -19.258 0.236 4.246 12 HG SER 2 HG SER 2 -21.195 0.680 3.325 13 H MET 3 H MET 3 -17.123 1.204 3.740 14 HA MET 3 HA MET 3 -15.314 3.688 3.780 15 1HB MET 3 1HB MET 3 -13.418 2.067 3.197 16 2HB MET 3 2HB MET 3 -14.038 2.014 4.837 17 1HG MET 3 1HG MET 3 -15.111 0.024 2.760 18 2HG MET 3 2HG MET 3 -13.549 -0.250 3.546 19 1HE MET 3 1HE MET 3 -15.837 -2.575 4.201 20 2HE MET 3 2HE MET 3 -14.095 -2.366 4.548 21 3HE MET 3 3HE MET 3 -15.237 -2.685 5.886 22 H THR 4 H THR 4 -17.524 3.503 2.117 23 HA THR 4 HA THR 4 -17.216 2.548 -0.582 24 HB THR 4 HB THR 4 -18.410 5.281 0.069 25 HG1 THR 4 HG1 THR 4 -19.739 2.795 0.114 26 1HG2 THR 4 1HG2 THR 4 -19.995 4.819 -1.764 27 2HG2 THR 4 2HG2 THR 4 -18.337 4.762 -2.403 28 3HG2 THR 4 3HG2 THR 4 -19.236 3.251 -2.112 29 H ASP 5 H ASP 5 -15.545 5.077 1.152 30 HA ASP 5 HA ASP 5 -13.564 5.424 -1.077 31 1HB ASP 5 1HB ASP 5 -13.768 8.053 -0.835 32 2HB ASP 5 2HB ASP 5 -14.742 7.167 -1.985 33 H GLN 6 H GLN 6 -12.918 4.177 1.024 34 HA GLN 6 HA GLN 6 -11.889 5.750 3.338 35 1HB GLN 6 1HB GLN 6 -11.873 2.908 2.490 36 2HB GLN 6 2HB GLN 6 -10.322 3.399 3.148 37 1HG GLN 6 1HG GLN 6 -13.030 3.650 4.586 38 2HG GLN 6 2HG GLN 6 -11.537 4.300 5.228 39 1HE2 GLN 6 1HE2 GLN 6 -11.131 0.213 4.837 40 2HE2 GLN 6 2HE2 GLN 6 -11.579 1.260 3.399 41 H GLN 7 H GLN 7 -10.729 4.813 0.154 42 HA GLN 7 HA GLN 7 -7.899 5.014 0.290 43 1HB GLN 7 1HB GLN 7 -7.919 5.810 -2.102 44 2HB GLN 7 2HB GLN 7 -8.869 4.368 -1.793 45 1HG GLN 7 1HG GLN 7 -10.827 6.342 -1.514 46 2HG GLN 7 2HG GLN 7 -9.780 7.082 -2.707 47 1HE2 GLN 7 1HE2 GLN 7 -12.113 3.843 -3.754 48 2HE2 GLN 7 2HE2 GLN 7 -11.804 4.256 -1.993 49 H ALA 8 H ALA 8 -10.200 7.704 -0.269 50 HA ALA 8 HA ALA 8 -8.146 9.830 -0.297 51 1HB ALA 8 1HB ALA 8 -11.048 10.511 0.240 52 2HB ALA 8 2HB ALA 8 -9.877 11.285 -0.846 53 3HB ALA 8 3HB ALA 8 -10.645 9.746 -1.315 54 H GLU 9 H GLU 9 -10.249 8.399 2.136 55 HA GLU 9 HA GLU 9 -10.200 10.477 4.187 56 1HB GLU 9 1HB GLU 9 -11.828 8.568 4.136 57 2HB GLU 9 2HB GLU 9 -10.555 7.464 4.618 58 1HG GLU 9 1HG GLU 9 -11.675 7.904 6.657 59 2HG GLU 9 2HG GLU 9 -10.272 8.953 6.764 60 H ALA 10 H ALA 10 -7.992 7.868 3.340 61 HA ALA 10 HA ALA 10 -6.379 7.781 5.797 62 1HB ALA 10 1HB ALA 10 -4.747 6.476 4.443 63 2HB ALA 10 2HB ALA 10 -6.405 5.893 4.196 64 3HB ALA 10 3HB ALA 10 -5.616 6.886 2.944 65 NH1 ARG 11 NH1 ARG 11 -4.864 13.159 -3.048 66 NH2 ARG 11 NH2 ARG 11 -4.681 14.948 -1.660 67 H ARG 11 H ARG 11 -5.936 9.386 2.639 68 HA ARG 11 HA ARG 11 -3.287 10.600 3.173 69 1HB ARG 11 1HB ARG 11 -3.806 10.359 0.867 70 2HB ARG 11 2HB ARG 11 -3.860 12.087 1.182 71 1HG ARG 11 1HG ARG 11 -6.330 10.265 0.949 72 2HG ARG 11 2HG ARG 11 -6.397 11.980 1.358 73 1HD ARG 11 1HD ARG 11 -6.680 11.150 -1.197 74 2HD ARG 11 2HD ARG 11 -4.918 11.154 -1.194 75 HE ARG 11 HE ARG 11 -6.345 13.689 -0.294 76 1HH1 ARG 11 1HH1 ARG 11 -4.403 13.753 -3.746 77 2HH1 ARG 11 2HH1 ARG 11 -5.161 12.184 -3.171 78 1HH2 ARG 11 1HH2 ARG 11 -4.954 15.385 -0.773 79 2HH2 ARG 11 2HH2 ARG 11 -4.119 15.370 -2.407 80 H ALA 12 H ALA 12 -6.646 11.583 3.613 81 HA ALA 12 HA ALA 12 -6.582 14.371 4.047 82 1HB ALA 12 1HB ALA 12 -8.492 14.106 5.617 83 2HB ALA 12 2HB ALA 12 -8.671 13.048 4.203 84 3HB ALA 12 3HB ALA 12 -8.168 12.362 5.768 85 H PHE 13 H PHE 13 -5.347 11.830 6.153 86 HA PHE 13 HA PHE 13 -4.839 13.666 8.484 87 1HB PHE 13 1HB PHE 13 -4.251 10.672 8.103 88 2HB PHE 13 2HB PHE 13 -5.643 11.354 8.903 89 HD1 PHE 13 HD1 PHE 13 -4.086 13.619 10.461 90 HD2 PHE 13 HD2 PHE 13 -3.296 9.421 9.929 91 HE1 PHE 13 HE1 PHE 13 -2.860 13.567 12.595 92 HE2 PHE 13 HE2 PHE 13 -2.062 9.394 12.057 93 HZ PHE 13 HZ PHE 13 -1.896 11.447 13.422 94 H LEU 14 H LEU 14 -3.027 11.821 6.052 95 HA LEU 14 HA LEU 14 -0.305 12.598 6.928 96 1HB LEU 14 1HB LEU 14 -1.005 11.727 4.079 97 2HB LEU 14 2HB LEU 14 0.516 11.546 4.927 98 HG LEU 14 HG LEU 14 -2.023 9.883 5.171 99 1HD1 LEU 14 1HD1 LEU 14 0.119 9.909 7.392 100 2HD1 LEU 14 2HD1 LEU 14 -1.486 10.647 7.546 101 3HD1 LEU 14 3HD1 LEU 14 -1.338 8.886 7.322 102 1HD2 LEU 14 1HD2 LEU 14 -0.487 7.976 4.933 103 2HD2 LEU 14 2HD2 LEU 14 -0.040 9.174 3.694 104 3HD2 LEU 14 3HD2 LEU 14 0.940 9.019 5.159 105 H SER 15 H SER 15 0.722 14.418 6.596 106 HA SER 15 HA SER 15 -0.400 16.866 5.567 107 1HB SER 15 1HB SER 15 2.598 16.598 5.439 108 2HB SER 15 2HB SER 15 1.842 16.283 7.003 109 HG SER 15 HG SER 15 2.431 18.534 6.272 110 H GLU 16 H GLU 16 0.394 18.125 3.709 111 HA GLU 16 HA GLU 16 -0.009 16.685 1.158 112 1HB GLU 16 1HB GLU 16 0.786 19.113 0.262 113 2HB GLU 16 2HB GLU 16 0.451 19.573 1.919 114 1HG GLU 16 1HG GLU 16 -1.899 19.054 1.733 115 2HG GLU 16 2HG GLU 16 -1.475 19.907 0.258 116 H GLU 17 H GLU 17 2.741 18.005 2.912 117 HA GLU 17 HA GLU 17 4.735 17.501 0.701 118 1HB GLU 17 1HB GLU 17 4.827 19.500 2.326 119 2HB GLU 17 2HB GLU 17 5.373 18.382 3.560 120 1HG GLU 17 1HG GLU 17 7.457 19.062 2.829 121 2HG GLU 17 2HG GLU 17 7.244 17.758 1.674 122 H MET 18 H MET 18 3.656 16.117 3.756 123 HA MET 18 HA MET 18 5.734 14.133 4.239 124 1HB MET 18 1HB MET 18 2.779 14.205 5.038 125 2HB MET 18 2HB MET 18 4.185 14.579 6.019 126 1HG MET 18 1HG MET 18 3.093 11.844 5.237 127 2HG MET 18 2HG MET 18 4.828 11.990 5.558 128 1HE MET 18 1HE MET 18 4.892 14.305 8.334 129 2HE MET 18 2HE MET 18 5.330 12.762 9.125 130 3HE MET 18 3HE MET 18 5.876 13.093 7.455 131 H ILE 19 H ILE 19 2.896 14.183 2.154 132 HA ILE 19 HA ILE 19 2.668 11.379 1.435 133 HB ILE 19 HB ILE 19 1.873 13.903 -0.071 134 1HG1 ILE 19 1HG1 ILE 19 0.147 13.657 1.454 135 2HG1 ILE 19 2HG1 ILE 19 -0.463 12.551 0.242 136 1HG2 ILE 19 1HG2 ILE 19 0.752 12.510 -1.825 137 2HG2 ILE 19 2HG2 ILE 19 2.492 12.230 -1.843 138 3HG2 ILE 19 3HG2 ILE 19 1.416 11.024 -1.101 139 1HD1 ILE 19 1HD1 ILE 19 1.029 11.673 2.783 140 2HD1 ILE 19 2HD1 ILE 19 -0.698 11.489 2.416 141 3HD1 ILE 19 3HD1 ILE 19 0.505 10.573 1.478 142 H ALA 20 H ALA 20 4.569 14.031 -0.009 143 HA ALA 20 HA ALA 20 5.720 12.740 -2.283 144 1HB ALA 20 1HB ALA 20 6.702 14.992 -0.486 145 2HB ALA 20 2HB ALA 20 7.751 14.382 -1.781 146 3HB ALA 20 3HB ALA 20 6.150 15.057 -2.176 147 H GLU 21 H GLU 21 6.621 12.546 1.124 148 HA GLU 21 HA GLU 21 9.239 11.238 0.813 149 1HB GLU 21 1HB GLU 21 8.803 10.568 3.317 150 2HB GLU 21 2HB GLU 21 7.370 11.570 3.198 151 1HG GLU 21 1HG GLU 21 8.646 13.597 2.894 152 2HG GLU 21 2HG GLU 21 9.448 12.708 4.179 153 H PHE 22 H PHE 22 5.934 10.078 1.380 154 HA PHE 22 HA PHE 22 6.507 7.246 1.833 155 1HB PHE 22 1HB PHE 22 3.975 8.687 0.883 156 2HB PHE 22 2HB PHE 22 4.024 6.947 0.997 157 HD1 PHE 22 HD1 PHE 22 4.670 5.920 3.370 158 HD2 PHE 22 HD2 PHE 22 3.553 10.041 2.824 159 HE1 PHE 22 HE1 PHE 22 4.038 6.074 5.742 160 HE2 PHE 22 HE2 PHE 22 2.924 10.174 5.199 161 HZ PHE 22 HZ PHE 22 3.192 8.205 6.668 162 H LYS 23 H LYS 23 5.804 9.156 -1.071 163 HA LYS 23 HA LYS 23 5.593 7.056 -3.060 164 1HB LYS 23 1HB LYS 23 6.687 9.903 -3.476 165 2HB LYS 23 2HB LYS 23 4.991 9.469 -3.486 166 1HG LYS 23 1HG LYS 23 6.398 9.752 -5.743 167 2HG LYS 23 2HG LYS 23 6.907 8.103 -5.441 168 1HD LYS 23 1HD LYS 23 4.549 7.289 -5.538 169 2HD LYS 23 2HD LYS 23 3.955 8.940 -5.593 170 1HE LYS 23 1HE LYS 23 4.375 9.218 -7.849 171 2HE LYS 23 2HE LYS 23 5.874 8.288 -7.824 172 1HZ LYS 23 1HZ LYS 23 3.705 7.364 -8.948 173 2HZ LYS 23 2HZ LYS 23 4.736 6.334 -8.171 174 3HZ LYS 23 3HZ LYS 23 3.346 6.828 -7.427 175 H ALA 24 H ALA 24 8.407 8.859 -1.831 176 HA ALA 24 HA ALA 24 10.489 8.019 -3.596 177 1HB ALA 24 1HB ALA 24 12.085 8.500 -1.749 178 2HB ALA 24 2HB ALA 24 10.830 9.749 -1.854 179 3HB ALA 24 3HB ALA 24 10.757 8.521 -0.564 180 H ALA 25 H ALA 25 9.356 6.420 -0.608 181 HA ALA 25 HA ALA 25 11.282 4.197 -0.631 182 1HB ALA 25 1HB ALA 25 9.864 3.211 1.161 183 2HB ALA 25 2HB ALA 25 10.169 4.933 1.458 184 3HB ALA 25 3HB ALA 25 8.581 4.404 0.846 185 H PHE 26 H PHE 26 8.040 4.666 -1.933 186 HA PHE 26 HA PHE 26 7.348 1.876 -2.517 187 1HB PHE 26 1HB PHE 26 5.713 3.824 -2.373 188 2HB PHE 26 2HB PHE 26 6.278 4.400 -3.919 189 HD1 PHE 26 HD1 PHE 26 4.260 1.813 -2.192 190 HD2 PHE 26 HD2 PHE 26 5.786 3.035 -6.024 191 HE1 PHE 26 HE1 PHE 26 2.555 0.442 -3.320 192 HE2 PHE 26 HE2 PHE 26 4.047 1.691 -7.134 193 HZ PHE 26 HZ PHE 26 2.447 0.375 -5.788 194 H ASP 27 H ASP 27 9.089 4.405 -4.241 195 HA ASP 27 HA ASP 27 9.230 3.128 -6.887 196 1HB ASP 27 1HB ASP 27 10.715 5.457 -5.615 197 2HB ASP 27 2HB ASP 27 11.363 4.749 -7.078 198 H MET 28 H MET 28 11.010 2.729 -3.923 199 HA MET 28 HA MET 28 13.543 1.672 -4.791 200 1HB MET 28 1HB MET 28 13.442 0.201 -2.627 201 2HB MET 28 2HB MET 28 11.896 0.968 -2.312 202 1HG MET 28 1HG MET 28 14.479 2.598 -2.739 203 2HG MET 28 2HG MET 28 12.923 3.199 -2.144 204 1HE MET 28 1HE MET 28 13.934 4.300 -0.191 205 2HE MET 28 2HE MET 28 14.602 3.493 1.259 206 3HE MET 28 3HE MET 28 15.628 3.716 -0.188 207 H PHE 29 H PHE 29 10.401 0.044 -4.418 208 HA PHE 29 HA PHE 29 11.525 -2.492 -5.756 209 1HB PHE 29 1HB PHE 29 9.783 -3.811 -4.575 210 2HB PHE 29 2HB PHE 29 9.107 -2.373 -3.860 211 HD1 PHE 29 HD1 PHE 29 9.874 -4.657 -2.150 212 HD2 PHE 29 HD2 PHE 29 12.289 -1.338 -3.451 213 HE1 PHE 29 HE1 PHE 29 11.271 -4.867 -0.135 214 HE2 PHE 29 HE2 PHE 29 13.679 -1.575 -1.434 215 HZ PHE 29 HZ PHE 29 13.175 -3.333 0.224 216 H ASP 30 H ASP 30 10.580 -0.147 -7.107 217 HA ASP 30 HA ASP 30 8.014 -1.158 -8.447 218 1HB ASP 30 1HB ASP 30 8.365 1.367 -7.529 219 2HB ASP 30 2HB ASP 30 7.298 0.925 -8.841 220 H ALA 31 H ALA 31 8.799 -2.716 -9.714 221 HA ALA 31 HA ALA 31 11.202 -2.360 -11.498 222 1HB ALA 31 1HB ALA 31 10.783 -4.738 -12.142 223 2HB ALA 31 2HB ALA 31 10.852 -4.536 -10.380 224 3HB ALA 31 3HB ALA 31 9.280 -4.761 -11.189 225 H ASP 32 H ASP 32 7.687 -2.455 -11.693 226 HA ASP 32 HA ASP 32 7.589 -2.412 -14.713 227 1HB ASP 32 1HB ASP 32 5.058 -1.923 -13.142 228 2HB ASP 32 2HB ASP 32 5.821 -3.480 -12.918 229 H GLY 33 H GLY 33 5.340 -0.657 -14.927 230 1HA GLY 33 1HA GLY 33 5.905 1.643 -16.063 231 2HA GLY 33 2HA GLY 33 6.722 2.055 -14.553 232 H GLY 34 H GLY 34 3.644 0.315 -14.893 233 1HA GLY 34 1HA GLY 34 1.437 0.765 -13.983 234 2HA GLY 34 2HA GLY 34 1.685 2.373 -14.669 235 H GLY 35 H GLY 35 2.885 0.475 -11.888 236 1HA GLY 35 1HA GLY 35 3.877 1.974 -9.906 237 2HA GLY 35 2HA GLY 35 2.356 2.864 -10.044 238 H ASP 36 H ASP 36 3.496 -0.500 -9.723 239 HA ASP 36 HA ASP 36 1.759 -0.982 -7.315 240 1HB ASP 36 1HB ASP 36 0.504 -2.892 -8.163 241 2HB ASP 36 2HB ASP 36 0.123 -1.457 -9.086 242 H ILE 37 H ILE 37 2.353 -2.866 -6.196 243 HA ILE 37 HA ILE 37 4.855 -4.389 -7.091 244 HB ILE 37 HB ILE 37 5.916 -4.169 -4.900 245 1HG1 ILE 37 1HG1 ILE 37 3.432 -2.590 -4.141 246 2HG1 ILE 37 2HG1 ILE 37 4.955 -1.961 -3.550 247 1HG2 ILE 37 1HG2 ILE 37 6.784 -1.841 -5.164 248 2HG2 ILE 37 2HG2 ILE 37 6.554 -2.591 -6.751 249 3HG2 ILE 37 3HG2 ILE 37 5.379 -1.392 -6.161 250 1HD1 ILE 37 1HD1 ILE 37 5.492 -4.053 -2.340 251 2HD1 ILE 37 2HD1 ILE 37 3.883 -3.458 -1.879 252 3HD1 ILE 37 3HD1 ILE 37 4.028 -4.837 -2.992 253 H SER 38 H SER 38 5.101 -6.382 -5.861 254 HA SER 38 HA SER 38 2.706 -8.006 -5.631 255 1HB SER 38 1HB SER 38 4.669 -9.228 -6.007 256 2HB SER 38 2HB SER 38 5.588 -8.399 -4.748 257 HG SER 38 HG SER 38 3.898 -10.546 -4.602 258 H THR 39 H THR 39 1.750 -8.939 -3.772 259 HA THR 39 HA THR 39 1.216 -7.011 -1.550 260 HB THR 39 HB THR 39 -0.493 -8.611 -2.738 261 HG1 THR 39 HG1 THR 39 -1.154 -7.272 -1.207 262 1HG2 THR 39 1HG2 THR 39 -1.070 -10.666 -1.522 263 2HG2 THR 39 2HG2 THR 39 0.595 -10.815 -2.131 264 3HG2 THR 39 3HG2 THR 39 0.301 -10.465 -0.407 265 H LYS 40 H LYS 40 3.028 -9.981 -2.054 266 HA LYS 40 HA LYS 40 3.432 -10.698 0.789 267 1HB LYS 40 1HB LYS 40 4.088 -11.861 -1.794 268 2HB LYS 40 2HB LYS 40 3.990 -12.635 -0.226 269 1HG LYS 40 1HG LYS 40 6.469 -11.266 -1.430 270 2HG LYS 40 2HG LYS 40 6.417 -11.881 0.210 271 1HD LYS 40 1HD LYS 40 5.718 -14.205 -0.979 272 2HD LYS 40 2HD LYS 40 6.371 -13.433 -2.415 273 1HE LYS 40 1HE LYS 40 7.869 -14.275 0.103 274 2HE LYS 40 2HE LYS 40 8.530 -12.957 -0.866 275 1HZ LYS 40 1HZ LYS 40 8.228 -15.792 -1.559 276 2HZ LYS 40 2HZ LYS 40 8.103 -14.705 -2.797 277 3HZ LYS 40 3HZ LYS 40 9.476 -14.757 -1.879 278 H GLU 41 H GLU 41 5.161 -8.788 -1.616 279 HA GLU 41 HA GLU 41 7.598 -8.389 0.108 280 1HB GLU 41 1HB GLU 41 8.403 -6.943 -1.825 281 2HB GLU 41 2HB GLU 41 6.919 -7.316 -2.679 282 1HG GLU 41 1HG GLU 41 7.871 -9.894 -2.022 283 2HG GLU 41 2HG GLU 41 8.012 -9.098 -3.580 284 H LEU 42 H LEU 42 4.732 -6.639 -0.958 285 HA LEU 42 HA LEU 42 5.171 -3.950 -0.430 286 1HB LEU 42 1HB LEU 42 2.970 -3.869 -0.849 287 2HB LEU 42 2HB LEU 42 2.862 -5.607 -0.672 288 HG LEU 42 HG LEU 42 2.633 -5.048 1.954 289 1HD1 LEU 42 1HD1 LEU 42 0.254 -4.533 0.060 290 2HD1 LEU 42 2HD1 LEU 42 0.886 -6.145 0.425 291 3HD1 LEU 42 3HD1 LEU 42 0.189 -5.152 1.730 292 1HD2 LEU 42 1HD2 LEU 42 1.507 -2.908 2.449 293 2HD2 LEU 42 2HD2 LEU 42 3.048 -2.546 1.633 294 3HD2 LEU 42 3HD2 LEU 42 1.527 -2.439 0.730 295 H GLY 43 H GLY 43 4.634 -6.482 2.006 296 1HA GLY 43 1HA GLY 43 4.945 -6.501 4.427 297 2HA GLY 43 2HA GLY 43 4.610 -4.767 4.391 298 H THR 44 H THR 44 7.211 -6.744 2.906 299 HA THR 44 HA THR 44 9.412 -6.157 4.524 300 HB THR 44 HB THR 44 9.251 -6.685 1.560 301 HG1 THR 44 HG1 THR 44 10.147 -8.506 2.168 302 1HG2 THR 44 1HG2 THR 44 11.741 -6.715 1.352 303 2HG2 THR 44 2HG2 THR 44 11.139 -5.064 1.609 304 3HG2 THR 44 3HG2 THR 44 11.899 -5.953 2.954 305 H VAL 45 H VAL 45 7.811 -4.067 2.199 306 HA VAL 45 HA VAL 45 9.842 -1.874 2.275 307 HB VAL 45 HB VAL 45 8.673 -0.758 0.661 308 1HG1 VAL 45 1HG1 VAL 45 5.947 -1.974 1.431 309 2HG1 VAL 45 2HG1 VAL 45 6.535 -0.431 2.063 310 3HG1 VAL 45 3HG1 VAL 45 6.263 -0.619 0.316 311 1HG2 VAL 45 1HG2 VAL 45 7.834 -2.276 -1.053 312 2HG2 VAL 45 2HG2 VAL 45 9.103 -3.166 -0.180 313 3HG2 VAL 45 3HG2 VAL 45 7.400 -3.520 0.148 314 H MET 46 H MET 46 6.660 -2.577 3.695 315 HA MET 46 HA MET 46 6.113 -0.226 5.247 316 1HB MET 46 1HB MET 46 5.589 -2.727 6.778 317 2HB MET 46 2HB MET 46 5.026 -2.816 5.119 318 1HG MET 46 1HG MET 46 3.227 -1.471 5.552 319 2HG MET 46 2HG MET 46 4.233 -0.223 6.304 320 1HE MET 46 1HE MET 46 1.406 -0.650 8.562 321 2HE MET 46 2HE MET 46 2.844 0.048 9.365 322 3HE MET 46 3HE MET 46 2.517 0.416 7.646 323 NH1 ARG 47 NH1 ARG 47 13.056 -7.619 10.113 324 NH2 ARG 47 NH2 ARG 47 13.640 -6.325 11.886 325 H ARG 47 H ARG 47 8.510 -2.758 5.726 326 HA ARG 47 HA ARG 47 9.257 -1.853 8.522 327 1HB ARG 47 1HB ARG 47 9.139 -4.341 7.703 328 2HB ARG 47 2HB ARG 47 10.658 -4.021 6.878 329 1HG ARG 47 1HG ARG 47 11.513 -3.139 9.244 330 2HG ARG 47 2HG ARG 47 10.140 -4.038 9.892 331 1HD ARG 47 1HD ARG 47 12.071 -5.426 7.950 332 2HD ARG 47 2HD ARG 47 10.979 -6.168 9.117 333 HE ARG 47 HE ARG 47 13.253 -4.471 10.213 334 1HH1 ARG 47 1HH1 ARG 47 14.016 -7.189 12.292 335 2HH1 ARG 47 2HH1 ARG 47 13.613 -5.399 12.327 336 1HH2 ARG 47 1HH2 ARG 47 12.568 -7.684 9.212 337 2HH2 ARG 47 2HH2 ARG 47 13.496 -8.389 10.630 338 H MET 48 H MET 48 10.639 -1.979 5.246 339 HA MET 48 HA MET 48 13.308 -0.897 6.069 340 1HB MET 48 1HB MET 48 12.625 -0.835 3.144 341 2HB MET 48 2HB MET 48 12.464 -2.411 3.901 342 1HG MET 48 1HG MET 48 14.875 -2.199 4.769 343 2HG MET 48 2HG MET 48 15.018 -0.685 3.860 344 1HE MET 48 1HE MET 48 15.979 -0.476 1.893 345 2HE MET 48 2HE MET 48 16.215 -1.676 0.588 346 3HE MET 48 3HE MET 48 14.656 -0.811 0.731 347 H LEU 49 H LEU 49 10.361 0.585 5.827 348 HA LEU 49 HA LEU 49 11.419 3.246 4.788 349 1HB LEU 49 1HB LEU 49 9.268 2.811 3.885 350 2HB LEU 49 2HB LEU 49 9.037 4.030 5.119 351 HG LEU 49 HG LEU 49 8.534 1.103 5.848 352 1HD1 LEU 49 1HD1 LEU 49 6.445 2.880 4.435 353 2HD1 LEU 49 2HD1 LEU 49 7.315 1.549 3.651 354 3HD1 LEU 49 3HD1 LEU 49 6.216 1.210 5.011 355 1HD2 LEU 49 1HD2 LEU 49 6.939 2.039 7.468 356 2HD2 LEU 49 2HD2 LEU 49 8.454 2.961 7.628 357 3HD2 LEU 49 3HD2 LEU 49 7.083 3.669 6.762 358 H GLY 50 H GLY 50 10.289 1.552 7.668 359 1HA GLY 50 1HA GLY 50 11.926 2.388 9.696 360 2HA GLY 50 2HA GLY 50 11.042 3.900 9.466 361 H GLN 51 H GLN 51 10.469 0.424 9.976 362 HA GLN 51 HA GLN 51 8.520 1.031 12.234 363 1HB GLN 51 1HB GLN 51 7.749 -0.467 9.685 364 2HB GLN 51 2HB GLN 51 7.030 -0.918 11.220 365 1HG GLN 51 1HG GLN 51 6.944 2.034 10.598 366 2HG GLN 51 2HG GLN 51 6.013 1.015 9.520 367 1HE2 GLN 51 1HE2 GLN 51 3.782 1.976 12.415 368 2HE2 GLN 51 2HE2 GLN 51 4.796 2.884 11.184 369 H ASN 52 H ASN 52 7.749 -1.418 12.905 370 HA ASN 52 HA ASN 52 9.972 -3.431 12.723 371 1HB ASN 52 1HB ASN 52 10.866 -2.118 14.508 372 2HB ASN 52 2HB ASN 52 9.329 -1.965 15.331 373 1HD2 ASN 52 1HD2 ASN 52 11.571 -5.478 15.702 374 2HD2 ASN 52 2HD2 ASN 52 11.851 -4.309 14.316 375 HA PRO 53 HA PRO 53 5.469 -5.002 13.518 376 1HB PRO 53 1HB PRO 53 4.796 -6.158 11.118 377 2HB PRO 53 2HB PRO 53 4.737 -4.413 11.414 378 1HG PRO 53 1HG PRO 53 6.144 -4.403 9.532 379 2HG PRO 53 2HG PRO 53 6.917 -5.959 9.911 380 1HD PRO 53 1HD PRO 53 7.554 -3.177 10.922 381 2HD PRO 53 2HD PRO 53 8.615 -4.618 10.861 382 H THR 54 H THR 54 4.669 -7.463 12.624 383 HA THR 54 HA THR 54 6.833 -9.429 13.531 384 HB THR 54 HB THR 54 3.908 -10.197 13.604 385 HG1 THR 54 HG1 THR 54 4.270 -9.436 15.917 386 1HG2 THR 54 1HG2 THR 54 4.592 -11.572 15.543 387 2HG2 THR 54 2HG2 THR 54 5.623 -11.953 14.145 388 3HG2 THR 54 3HG2 THR 54 6.252 -10.935 15.466 389 H LYS 55 H LYS 55 6.535 -11.635 12.567 390 HA LYS 55 HA LYS 55 6.494 -11.376 9.555 391 1HB LYS 55 1HB LYS 55 7.258 -13.902 9.763 392 2HB LYS 55 2HB LYS 55 7.480 -13.562 11.466 393 1HG LYS 55 1HG LYS 55 8.885 -12.120 9.137 394 2HG LYS 55 2HG LYS 55 9.075 -11.658 10.817 395 1HD LYS 55 1HD LYS 55 10.994 -13.060 10.020 396 2HD LYS 55 2HD LYS 55 10.152 -13.784 11.381 397 1HE LYS 55 1HE LYS 55 9.181 -15.531 10.090 398 2HE LYS 55 2HE LYS 55 9.345 -14.665 8.561 399 1HZ LYS 55 1HZ LYS 55 11.606 -15.181 8.454 400 2HZ LYS 55 2HZ LYS 55 11.766 -15.459 10.075 401 3HZ LYS 55 3HZ LYS 55 10.981 -16.556 9.122 402 H GLU 56 H GLU 56 4.942 -13.255 12.150 403 HA GLU 56 HA GLU 56 3.039 -14.762 10.472 404 1HB GLU 56 1HB GLU 56 3.383 -14.298 13.422 405 2HB GLU 56 2HB GLU 56 1.763 -14.710 12.897 406 1HG GLU 56 1HG GLU 56 4.147 -16.436 12.016 407 2HG GLU 56 2HG GLU 56 2.447 -16.873 12.050 408 H GLU 57 H GLU 57 3.051 -11.607 12.034 409 HA GLU 57 HA GLU 57 0.152 -11.030 11.799 410 1HB GLU 57 1HB GLU 57 2.450 -9.047 12.226 411 2HB GLU 57 2HB GLU 57 0.743 -8.681 12.382 412 1HG GLU 57 1HG GLU 57 1.911 -10.931 14.096 413 2HG GLU 57 2HG GLU 57 2.275 -9.267 14.521 414 H LEU 58 H LEU 58 3.022 -10.487 9.826 415 HA LEU 58 HA LEU 58 1.928 -8.687 7.802 416 1HB LEU 58 1HB LEU 58 4.335 -9.009 7.954 417 2HB LEU 58 2HB LEU 58 4.207 -10.734 7.688 418 HG LEU 58 HG LEU 58 3.471 -8.638 5.549 419 1HD1 LEU 58 1HD1 LEU 58 5.683 -9.188 4.485 420 2HD1 LEU 58 2HD1 LEU 58 5.898 -8.438 6.073 421 3HD1 LEU 58 3HD1 LEU 58 6.120 -10.195 5.888 422 1HD2 LEU 58 1HD2 LEU 58 3.957 -11.681 5.270 423 2HD2 LEU 58 2HD2 LEU 58 2.377 -10.865 5.170 424 3HD2 LEU 58 3HD2 LEU 58 3.614 -10.547 3.940 425 H ASP 59 H ASP 59 1.843 -12.181 8.241 426 HA ASP 59 HA ASP 59 0.718 -12.893 5.609 427 1HB ASP 59 1HB ASP 59 0.334 -14.686 8.043 428 2HB ASP 59 2HB ASP 59 0.517 -15.127 6.361 429 H ALA 60 H ALA 60 -0.616 -11.996 8.738 430 HA ALA 60 HA ALA 60 -3.427 -12.692 8.298 431 1HB ALA 60 1HB ALA 60 -3.903 -11.177 10.216 432 2HB ALA 60 2HB ALA 60 -2.528 -12.244 10.561 433 3HB ALA 60 3HB ALA 60 -2.246 -10.531 10.159 434 H ILE 61 H ILE 61 -1.684 -9.575 7.988 435 HA ILE 61 HA ILE 61 -3.700 -7.845 7.047 436 HB ILE 61 HB ILE 61 -0.735 -7.890 6.375 437 1HG1 ILE 61 1HG1 ILE 61 -2.175 -5.600 7.802 438 2HG1 ILE 61 2HG1 ILE 61 -1.890 -7.078 8.696 439 1HG2 ILE 61 1HG2 ILE 61 -0.955 -5.671 5.227 440 2HG2 ILE 61 2HG2 ILE 61 -1.843 -6.916 4.350 441 3HG2 ILE 61 3HG2 ILE 61 -2.729 -5.754 5.366 442 1HD1 ILE 61 1HD1 ILE 61 0.337 -5.364 7.447 443 2HD1 ILE 61 2HD1 ILE 61 -0.063 -5.545 9.169 444 3HD1 ILE 61 3HD1 ILE 61 0.592 -6.930 8.265 445 H ILE 62 H ILE 62 -1.882 -10.362 5.375 446 HA ILE 62 HA ILE 62 -2.691 -9.746 2.595 447 HB ILE 62 HB ILE 62 -1.468 -12.222 3.882 448 1HG1 ILE 62 1HG1 ILE 62 -0.034 -11.076 1.560 449 2HG1 ILE 62 2HG1 ILE 62 -0.339 -9.825 2.746 450 1HG2 ILE 62 1HG2 ILE 62 -1.317 -13.311 1.628 451 2HG2 ILE 62 2HG2 ILE 62 -3.003 -13.081 2.087 452 3HG2 ILE 62 3HG2 ILE 62 -2.258 -11.984 0.902 453 1HD1 ILE 62 1HD1 ILE 62 1.183 -12.431 3.340 454 2HD1 ILE 62 2HD1 ILE 62 1.844 -10.788 3.211 455 3HD1 ILE 62 3HD1 ILE 62 0.759 -11.197 4.560 456 H GLU 63 H GLU 63 -3.852 -11.992 5.107 457 HA GLU 63 HA GLU 63 -6.033 -13.303 3.853 458 1HB GLU 63 1HB GLU 63 -5.199 -13.508 6.301 459 2HB GLU 63 2HB GLU 63 -6.286 -12.189 6.687 460 1HG GLU 63 1HG GLU 63 -7.272 -14.448 7.188 461 2HG GLU 63 2HG GLU 63 -8.267 -13.511 6.085 462 H GLU 64 H GLU 64 -6.170 -10.141 5.523 463 HA GLU 64 HA GLU 64 -8.947 -9.502 5.082 464 1HB GLU 64 1HB GLU 64 -6.824 -7.318 5.139 465 2HB GLU 64 2HB GLU 64 -7.133 -8.298 6.559 466 1HG GLU 64 1HG GLU 64 -9.376 -7.443 6.827 467 2HG GLU 64 2HG GLU 64 -8.366 -6.053 6.469 468 H VAL 65 H VAL 65 -6.091 -8.425 3.215 469 HA VAL 65 HA VAL 65 -7.399 -6.868 1.179 470 HB VAL 65 HB VAL 65 -4.764 -7.485 1.697 471 1HG1 VAL 65 1HG1 VAL 65 -5.711 -6.143 -0.917 472 2HG1 VAL 65 2HG1 VAL 65 -5.772 -5.356 0.672 473 3HG1 VAL 65 3HG1 VAL 65 -4.203 -5.833 -0.020 474 1HG2 VAL 65 1HG2 VAL 65 -3.669 -8.487 -0.248 475 2HG2 VAL 65 2HG2 VAL 65 -4.935 -9.631 0.261 476 3HG2 VAL 65 3HG2 VAL 65 -5.200 -8.598 -1.150 477 H ASP 66 H ASP 66 -6.985 -10.349 1.533 478 HA ASP 66 HA ASP 66 -8.102 -10.921 -1.237 479 1HB ASP 66 1HB ASP 66 -6.039 -12.157 -0.550 480 2HB ASP 66 2HB ASP 66 -6.889 -12.868 0.803 481 H GLU 67 H GLU 67 -9.939 -9.719 0.186 482 HA GLU 67 HA GLU 67 -11.815 -11.635 1.556 483 1HB GLU 67 1HB GLU 67 -13.055 -9.851 2.219 484 2HB GLU 67 2HB GLU 67 -11.523 -9.034 1.982 485 1HG GLU 67 1HG GLU 67 -12.263 -8.050 -0.146 486 2HG GLU 67 2HG GLU 67 -13.677 -9.088 -0.218 487 H ASP 68 H ASP 68 -11.539 -9.899 -1.534 488 HA ASP 68 HA ASP 68 -13.760 -11.594 -2.756 489 1HB ASP 68 1HB ASP 68 -12.681 -8.851 -3.396 490 2HB ASP 68 2HB ASP 68 -14.331 -9.426 -3.310 491 H GLY 69 H GLY 69 -10.629 -10.233 -3.866 492 1HA GLY 69 1HA GLY 69 -9.117 -12.570 -4.468 493 2HA GLY 69 2HA GLY 69 -10.212 -12.445 -5.849 494 H SER 70 H SER 70 -7.873 -10.569 -3.951 495 HA SER 70 HA SER 70 -7.285 -8.726 -6.314 496 1HB SER 70 1HB SER 70 -6.249 -8.362 -3.458 497 2HB SER 70 2HB SER 70 -7.849 -7.809 -3.960 498 HG SER 70 HG SER 70 -6.429 -6.175 -4.266 499 H GLY 71 H GLY 71 -5.238 -8.543 -7.148 500 1HA GLY 71 1HA GLY 71 -3.316 -10.877 -6.670 501 2HA GLY 71 2HA GLY 71 -3.352 -9.869 -8.120 502 H THR 72 H THR 72 -2.946 -7.478 -7.691 503 HA THR 72 HA THR 72 -0.483 -7.230 -5.917 504 HB THR 72 HB THR 72 0.079 -5.238 -7.533 505 HG1 THR 72 HG1 THR 72 -1.510 -5.071 -8.840 506 1HG2 THR 72 1HG2 THR 72 0.542 -8.188 -8.139 507 2HG2 THR 72 2HG2 THR 72 1.015 -6.970 -9.344 508 3HG2 THR 72 3HG2 THR 72 1.722 -6.931 -7.707 509 H ILE 73 H ILE 73 -0.068 -4.698 -5.567 510 HA ILE 73 HA ILE 73 -2.642 -3.292 -4.814 511 HB ILE 73 HB ILE 73 -1.452 -4.546 -2.832 512 1HG1 ILE 73 1HG1 ILE 73 -3.470 -2.801 -2.929 513 2HG1 ILE 73 2HG1 ILE 73 -2.324 -1.705 -2.178 514 1HG2 ILE 73 1HG2 ILE 73 0.132 -3.241 -1.462 515 2HG2 ILE 73 2HG2 ILE 73 0.837 -3.494 -3.064 516 3HG2 ILE 73 3HG2 ILE 73 0.144 -1.910 -2.641 517 1HD1 ILE 73 1HD1 ILE 73 -3.919 -3.160 -0.623 518 2HD1 ILE 73 2HD1 ILE 73 -2.719 -4.442 -0.893 519 3HD1 ILE 73 3HD1 ILE 73 -2.219 -2.909 -0.139 520 H ASP 74 H ASP 74 -2.448 -0.996 -4.672 521 HA ASP 74 HA ASP 74 -0.098 0.177 -6.263 522 1HB ASP 74 1HB ASP 74 -1.412 1.388 -7.587 523 2HB ASP 74 2HB ASP 74 -2.395 1.930 -6.259 524 H PHE 75 H PHE 75 -0.595 2.817 -5.854 525 HA PHE 75 HA PHE 75 0.807 3.196 -3.287 526 1HB PHE 75 1HB PHE 75 1.351 4.477 -5.378 527 2HB PHE 75 2HB PHE 75 -0.181 5.307 -5.301 528 HD1 PHE 75 HD1 PHE 75 0.952 7.526 -5.192 529 HD2 PHE 75 HD2 PHE 75 1.676 4.585 -2.135 530 HE1 PHE 75 HE1 PHE 75 2.102 9.216 -3.823 531 HE2 PHE 75 HE2 PHE 75 2.826 6.291 -0.782 532 HZ PHE 75 HZ PHE 75 3.005 8.614 -1.602 533 H GLU 76 H GLU 76 -2.446 3.720 -4.517 534 HA GLU 76 HA GLU 76 -3.557 5.406 -2.415 535 1HB GLU 76 1HB GLU 76 -4.979 3.415 -4.256 536 2HB GLU 76 2HB GLU 76 -5.816 4.493 -3.156 537 1HG GLU 76 1HG GLU 76 -4.437 5.110 -5.773 538 2HG GLU 76 2HG GLU 76 -5.938 5.745 -5.119 539 H GLU 77 H GLU 77 -3.991 1.892 -2.919 540 HA GLU 77 HA GLU 77 -5.215 1.251 -0.345 541 1HB GLU 77 1HB GLU 77 -4.116 -1.139 -0.875 542 2HB GLU 77 2HB GLU 77 -3.822 -0.427 -2.449 543 1HG GLU 77 1HG GLU 77 -6.415 0.174 -2.437 544 2HG GLU 77 2HG GLU 77 -5.895 -1.463 -2.800 545 H PHE 78 H PHE 78 -1.882 1.610 -1.409 546 HA PHE 78 HA PHE 78 -0.450 0.434 0.817 547 1HB PHE 78 1HB PHE 78 0.624 1.103 -1.337 548 2HB PHE 78 2HB PHE 78 0.409 2.793 -0.966 549 HD1 PHE 78 HD1 PHE 78 1.171 2.436 2.139 550 HD2 PHE 78 HD2 PHE 78 3.057 1.221 -1.533 551 HE1 PHE 78 HE1 PHE 78 3.365 2.429 3.255 552 HE2 PHE 78 HE2 PHE 78 5.239 1.205 -0.396 553 HZ PHE 78 HZ PHE 78 5.403 1.840 1.986 554 H LEU 79 H LEU 79 -1.665 3.741 0.295 555 HA LEU 79 HA LEU 79 -0.623 4.907 2.822 556 1HB LEU 79 1HB LEU 79 -2.255 6.807 2.300 557 2HB LEU 79 2HB LEU 79 -2.814 5.903 0.909 558 HG LEU 79 HG LEU 79 -0.296 5.923 0.104 559 1HD1 LEU 79 1HD1 LEU 79 -0.155 8.308 2.055 560 2HD1 LEU 79 2HD1 LEU 79 0.644 6.749 2.328 561 3HD1 LEU 79 3HD1 LEU 79 1.123 7.760 0.942 562 1HD2 LEU 79 1HD2 LEU 79 -0.622 8.047 -1.087 563 2HD2 LEU 79 2HD2 LEU 79 -2.223 7.284 -0.928 564 3HD2 LEU 79 3HD2 LEU 79 -1.780 8.628 0.135 565 H VAL 80 H VAL 80 -3.565 3.283 1.779 566 HA VAL 80 HA VAL 80 -5.302 3.933 4.040 567 HB VAL 80 HB VAL 80 -5.401 1.783 1.909 568 1HG1 VAL 80 1HG1 VAL 80 -7.518 3.886 2.682 569 2HG1 VAL 80 2HG1 VAL 80 -6.238 4.195 1.501 570 3HG1 VAL 80 3HG1 VAL 80 -7.433 2.914 1.190 571 1HG2 VAL 80 1HG2 VAL 80 -7.470 0.798 2.778 572 2HG2 VAL 80 2HG2 VAL 80 -6.247 0.650 4.061 573 3HG2 VAL 80 3HG2 VAL 80 -7.492 1.902 4.175 574 H MET 81 H MET 81 -2.877 1.445 3.435 575 HA MET 81 HA MET 81 -3.500 -0.260 5.801 576 1HB MET 81 1HB MET 81 -2.185 -0.810 3.483 577 2HB MET 81 2HB MET 81 -2.034 -1.761 4.949 578 1HG MET 81 1HG MET 81 -0.074 0.547 4.582 579 2HG MET 81 2HG MET 81 0.133 -0.904 3.588 580 1HE MET 81 1HE MET 81 0.720 -2.960 4.087 581 2HE MET 81 2HE MET 81 1.891 -3.267 5.403 582 3HE MET 81 3HE MET 81 0.189 -3.782 5.588 583 H MET 82 H MET 82 -1.308 2.382 5.009 584 HA MET 82 HA MET 82 0.521 2.180 7.291 585 1HB MET 82 1HB MET 82 -0.048 4.285 5.202 586 2HB MET 82 2HB MET 82 0.698 4.848 6.687 587 1HG MET 82 1HG MET 82 1.971 2.408 5.395 588 2HG MET 82 2HG MET 82 2.148 3.960 4.561 589 1HE MET 82 1HE MET 82 3.422 2.086 8.203 590 2HE MET 82 2HE MET 82 3.619 1.613 6.490 591 3HE MET 82 3HE MET 82 4.963 2.417 7.352 592 H VAL 83 H VAL 83 -2.189 4.437 6.672 593 HA VAL 83 HA VAL 83 -2.317 5.698 9.280 594 HB VAL 83 HB VAL 83 -4.301 5.437 7.019 595 1HG1 VAL 83 1HG1 VAL 83 -3.307 7.953 8.496 596 2HG1 VAL 83 2HG1 VAL 83 -2.470 7.255 7.103 597 3HG1 VAL 83 3HG1 VAL 83 -4.130 7.866 6.917 598 1HG2 VAL 83 1HG2 VAL 83 -6.105 6.598 8.182 599 2HG2 VAL 83 2HG2 VAL 83 -5.709 5.174 9.171 600 3HG2 VAL 83 3HG2 VAL 83 -5.140 6.773 9.670 601 NH1 ARG 84 NH1 ARG 84 -9.537 -1.218 9.422 602 NH2 ARG 84 NH2 ARG 84 -9.388 -2.110 7.338 603 H ARG 84 H ARG 84 -3.694 2.702 8.004 604 HA ARG 84 HA ARG 84 -5.500 1.836 10.059 605 1HB ARG 84 1HB ARG 84 -3.663 -0.310 9.017 606 2HB ARG 84 2HB ARG 84 -4.453 0.663 7.785 607 1HG ARG 84 1HG ARG 84 -5.825 -1.314 8.251 608 2HG ARG 84 2HG ARG 84 -5.866 -0.963 9.980 609 1HD ARG 84 1HD ARG 84 -7.603 0.530 9.770 610 2HD ARG 84 2HD ARG 84 -6.847 1.370 8.418 611 HE ARG 84 HE ARG 84 -8.089 -0.026 6.862 612 1HH1 ARG 84 1HH1 ARG 84 -10.244 -1.941 9.595 613 2HH1 ARG 84 2HH1 ARG 84 -9.204 -0.512 10.088 614 1HH2 ARG 84 1HH2 ARG 84 -9.008 -2.033 6.388 615 2HH2 ARG 84 2HH2 ARG 84 -10.040 -2.824 7.683 616 H GLN 85 H GLN 85 -1.971 1.235 9.860 617 HA GLN 85 HA GLN 85 -1.730 -0.205 12.419 618 1HB GLN 85 1HB GLN 85 0.173 0.863 10.356 619 2HB GLN 85 2HB GLN 85 0.818 0.808 11.988 620 1HG GLN 85 1HG GLN 85 0.814 -1.520 12.109 621 2HG GLN 85 2HG GLN 85 1.139 -1.276 10.405 622 1HE2 GLN 85 1HE2 GLN 85 -1.707 -3.822 10.992 623 2HE2 GLN 85 2HE2 GLN 85 -0.109 -3.556 11.852 624 H MET 86 H MET 86 -1.329 3.171 11.427 625 HA MET 86 HA MET 86 -0.016 4.333 13.710 626 1HB MET 86 1HB MET 86 -1.772 5.420 11.528 627 2HB MET 86 2HB MET 86 -1.734 6.384 12.993 628 1HG MET 86 1HG MET 86 0.663 6.768 12.832 629 2HG MET 86 2HG MET 86 0.872 5.481 11.634 630 1HE MET 86 1HE MET 86 1.952 6.901 9.491 631 2HE MET 86 2HE MET 86 0.712 5.633 9.264 632 3HE MET 86 3HE MET 86 0.601 7.162 8.344 633 H LYS 87 H LYS 87 -3.422 3.551 13.154 634 HA LYS 87 HA LYS 87 -4.535 4.739 15.635 635 1HB LYS 87 1HB LYS 87 -6.093 4.348 13.840 636 2HB LYS 87 2HB LYS 87 -5.625 2.671 13.651 637 1HG LYS 87 1HG LYS 87 -6.726 3.367 16.365 638 2HG LYS 87 2HG LYS 87 -6.984 1.936 15.387 639 1HD LYS 87 1HD LYS 87 -8.290 4.655 14.722 640 2HD LYS 87 2HD LYS 87 -8.622 3.106 13.964 641 1HE LYS 87 1HE LYS 87 -10.238 4.064 15.886 642 2HE LYS 87 2HE LYS 87 -9.972 2.329 15.708 643 1HZ LYS 87 1HZ LYS 87 -8.414 2.375 17.506 644 2HZ LYS 87 2HZ LYS 87 -8.359 4.025 17.552 645 3HZ LYS 87 3HZ LYS 87 -9.732 3.231 18.014 646 H GLU 88 H GLU 88 -3.911 1.344 14.654 647 HA GLU 88 HA GLU 88 -4.271 0.143 17.319 648 1HB GLU 88 1HB GLU 88 -4.025 -0.880 14.758 649 2HB GLU 88 2HB GLU 88 -2.460 -1.300 15.425 650 1HG GLU 88 1HG GLU 88 -3.626 -3.211 16.039 651 2HG GLU 88 2HG GLU 88 -3.925 -2.261 17.486 652 H ASP 89 H ASP 89 -3.115 1.077 18.884 653 HA ASP 89 HA ASP 89 -0.212 1.744 18.699 654 1HB ASP 89 1HB ASP 89 -1.077 3.184 20.249 655 2HB ASP 89 2HB ASP 89 -0.529 1.932 21.339 656 H ALA 90 H ALA 90 -2.157 -0.701 20.429 657 HA ALA 90 HA ALA 90 0.241 -2.402 21.133 658 1HB ALA 90 1HB ALA 90 -2.036 -2.148 22.529 659 2HB ALA 90 2HB ALA 90 -2.644 -3.389 21.416 660 3HB ALA 90 3HB ALA 90 -1.235 -3.737 22.448 Start of MODEL 23 Raw file had 660 H/Q atoms Start of MODEL 23 1 1H ALA 1 1H ALA 1 -18.927 3.742 8.258 2 2H ALA 1 2H ALA 1 -18.475 5.198 8.966 3 3H ALA 1 3H ALA 1 -19.825 4.370 9.533 4 HA ALA 1 HA ALA 1 -21.150 4.923 7.816 5 1HB ALA 1 1HB ALA 1 -20.298 7.472 7.237 6 2HB ALA 1 2HB ALA 1 -21.080 7.037 8.768 7 3HB ALA 1 3HB ALA 1 -19.304 7.163 8.681 8 H SER 2 H SER 2 -18.162 6.513 6.705 9 HA SER 2 HA SER 2 -18.622 5.510 3.869 10 1HB SER 2 1HB SER 2 -16.625 7.280 3.505 11 2HB SER 2 2HB SER 2 -18.319 7.764 3.615 12 HG SER 2 HG SER 2 -16.923 8.960 4.957 13 H MET 3 H MET 3 -17.721 3.596 3.539 14 HA MET 3 HA MET 3 -14.864 3.016 4.498 15 1HB MET 3 1HB MET 3 -16.375 0.669 3.490 16 2HB MET 3 2HB MET 3 -17.206 1.467 4.813 17 1HG MET 3 1HG MET 3 -14.220 0.905 5.159 18 2HG MET 3 2HG MET 3 -15.496 0.963 6.387 19 1HE MET 3 1HE MET 3 -17.535 -2.403 5.604 20 2HE MET 3 2HE MET 3 -17.381 -1.030 6.740 21 3HE MET 3 3HE MET 3 -17.864 -0.733 5.045 22 H THR 4 H THR 4 -17.120 3.033 1.787 23 HA THR 4 HA THR 4 -15.346 2.109 -0.351 24 HB THR 4 HB THR 4 -17.584 4.156 -0.715 25 HG1 THR 4 HG1 THR 4 -17.878 1.384 -0.970 26 1HG2 THR 4 1HG2 THR 4 -17.894 3.160 -2.949 27 2HG2 THR 4 2HG2 THR 4 -16.231 3.774 -2.814 28 3HG2 THR 4 3HG2 THR 4 -16.551 2.024 -2.701 29 H ASP 5 H ASP 5 -15.353 4.941 1.601 30 HA ASP 5 HA ASP 5 -13.276 6.287 -0.209 31 1HB ASP 5 1HB ASP 5 -15.175 7.792 1.675 32 2HB ASP 5 2HB ASP 5 -13.991 8.490 0.593 33 H GLN 6 H GLN 6 -12.767 4.271 1.716 34 HA GLN 6 HA GLN 6 -11.577 5.416 4.204 35 1HB GLN 6 1HB GLN 6 -11.687 2.717 2.904 36 2HB GLN 6 2HB GLN 6 -10.190 3.044 3.759 37 1HG GLN 6 1HG GLN 6 -13.014 2.865 4.891 38 2HG GLN 6 2HG GLN 6 -11.583 1.976 5.369 39 1HE2 GLN 6 1HE2 GLN 6 -10.530 4.490 7.740 40 2HE2 GLN 6 2HE2 GLN 6 -10.127 2.935 6.854 41 H GLN 7 H GLN 7 -10.382 4.386 1.009 42 HA GLN 7 HA GLN 7 -7.582 4.962 1.119 43 1HB GLN 7 1HB GLN 7 -7.735 5.594 -1.338 44 2HB GLN 7 2HB GLN 7 -8.387 4.024 -0.904 45 1HG GLN 7 1HG GLN 7 -10.702 5.540 -0.745 46 2HG GLN 7 2HG GLN 7 -9.828 6.459 -1.953 47 1HE2 GLN 7 1HE2 GLN 7 -11.226 2.665 -2.892 48 2HE2 GLN 7 2HE2 GLN 7 -10.957 3.159 -1.145 49 H ALA 8 H ALA 8 -10.178 7.252 0.166 50 HA ALA 8 HA ALA 8 -8.544 9.632 -0.126 51 1HB ALA 8 1HB ALA 8 -10.621 9.907 -1.110 52 2HB ALA 8 2HB ALA 8 -11.510 9.119 0.208 53 3HB ALA 8 3HB ALA 8 -10.928 10.792 0.403 54 H GLU 9 H GLU 9 -10.064 8.131 2.673 55 HA GLU 9 HA GLU 9 -9.973 10.381 4.557 56 1HB GLU 9 1HB GLU 9 -11.322 8.137 4.710 57 2HB GLU 9 2HB GLU 9 -9.881 7.466 5.449 58 1HG GLU 9 1HG GLU 9 -10.162 9.709 7.038 59 2HG GLU 9 2HG GLU 9 -11.836 9.505 6.552 60 H ALA 10 H ALA 10 -7.718 7.799 3.687 61 HA ALA 10 HA ALA 10 -5.773 8.202 5.871 62 1HB ALA 10 1HB ALA 10 -4.296 6.688 4.558 63 2HB ALA 10 2HB ALA 10 -5.942 6.039 4.677 64 3HB ALA 10 3HB ALA 10 -5.389 6.785 3.157 65 NH1 ARG 11 NH1 ARG 11 -5.669 16.297 0.324 66 NH2 ARG 11 NH2 ARG 11 -6.795 16.347 -1.649 67 H ARG 11 H ARG 11 -6.112 9.416 2.567 68 HA ARG 11 HA ARG 11 -3.422 10.621 2.249 69 1HB ARG 11 1HB ARG 11 -4.488 10.204 0.187 70 2HB ARG 11 2HB ARG 11 -6.046 10.803 0.738 71 1HG ARG 11 1HG ARG 11 -3.777 12.820 0.557 72 2HG ARG 11 2HG ARG 11 -4.485 12.233 -0.949 73 1HD ARG 11 1HD ARG 11 -5.777 13.910 1.241 74 2HD ARG 11 2HD ARG 11 -6.826 12.795 0.369 75 HE ARG 11 HE ARG 11 -5.860 13.993 -1.815 76 1HH1 ARG 11 1HH1 ARG 11 -6.947 17.341 -1.446 77 2HH1 ARG 11 2HH1 ARG 11 -7.084 15.839 -2.492 78 1HH2 ARG 11 1HH2 ARG 11 -5.258 15.729 1.072 79 2HH2 ARG 11 2HH2 ARG 11 -5.743 17.321 0.299 80 H ALA 12 H ALA 12 -6.596 11.769 3.331 81 HA ALA 12 HA ALA 12 -5.880 14.651 3.593 82 1HB ALA 12 1HB ALA 12 -8.079 14.875 4.734 83 2HB ALA 12 2HB ALA 12 -8.232 13.963 3.219 84 3HB ALA 12 3HB ALA 12 -8.271 13.105 4.780 85 H PHE 13 H PHE 13 -5.822 11.786 5.639 86 HA PHE 13 HA PHE 13 -5.510 13.021 8.259 87 1HB PHE 13 1HB PHE 13 -4.578 10.270 7.251 88 2HB PHE 13 2HB PHE 13 -6.116 10.637 7.988 89 HD1 PHE 13 HD1 PHE 13 -6.257 9.761 10.190 90 HD2 PHE 13 HD2 PHE 13 -2.503 11.451 8.931 91 HE1 PHE 13 HE1 PHE 13 -5.260 9.198 12.368 92 HE2 PHE 13 HE2 PHE 13 -1.529 10.891 11.118 93 HZ PHE 13 HZ PHE 13 -2.909 9.792 12.850 94 H LEU 14 H LEU 14 -3.214 12.080 5.735 95 HA LEU 14 HA LEU 14 -0.829 13.187 7.278 96 1HB LEU 14 1HB LEU 14 0.602 12.048 5.771 97 2HB LEU 14 2HB LEU 14 -0.603 11.952 4.505 98 HG LEU 14 HG LEU 14 -1.894 10.342 6.237 99 1HD1 LEU 14 1HD1 LEU 14 -0.777 8.371 5.181 100 2HD1 LEU 14 2HD1 LEU 14 -1.077 9.640 3.979 101 3HD1 LEU 14 3HD1 LEU 14 0.567 9.399 4.622 102 1HD2 LEU 14 1HD2 LEU 14 1.033 10.051 7.193 103 2HD2 LEU 14 2HD2 LEU 14 -0.337 10.632 8.170 104 3HD2 LEU 14 3HD2 LEU 14 -0.309 8.954 7.608 105 H SER 15 H SER 15 0.693 14.509 5.927 106 HA SER 15 HA SER 15 -0.783 16.839 4.700 107 1HB SER 15 1HB SER 15 1.370 16.721 6.416 108 2HB SER 15 2HB SER 15 0.910 18.130 5.458 109 HG SER 15 HG SER 15 2.962 16.295 5.102 110 H GLU 16 H GLU 16 0.460 17.902 2.812 111 HA GLU 16 HA GLU 16 0.359 16.109 0.460 112 1HB GLU 16 1HB GLU 16 0.751 19.053 0.895 113 2HB GLU 16 2HB GLU 16 1.472 18.405 -0.565 114 1HG GLU 16 1HG GLU 16 -0.714 17.598 -1.389 115 2HG GLU 16 2HG GLU 16 -1.488 17.928 0.152 116 H GLU 17 H GLU 17 2.874 17.512 2.464 117 HA GLU 17 HA GLU 17 5.158 16.874 0.637 118 1HB GLU 17 1HB GLU 17 5.561 18.776 1.957 119 2HB GLU 17 2HB GLU 17 4.992 18.032 3.438 120 1HG GLU 17 1HG GLU 17 7.660 18.390 2.773 121 2HG GLU 17 2HG GLU 17 7.440 16.742 2.209 122 H MET 18 H MET 18 3.555 15.432 3.422 123 HA MET 18 HA MET 18 5.565 13.368 4.058 124 1HB MET 18 1HB MET 18 3.995 14.017 5.794 125 2HB MET 18 2HB MET 18 2.604 13.622 4.800 126 1HG MET 18 1HG MET 18 4.322 11.228 5.130 127 2HG MET 18 2HG MET 18 2.600 11.443 5.485 128 1HE MET 18 1HE MET 18 6.342 11.564 7.656 129 2HE MET 18 2HE MET 18 5.363 10.237 8.348 130 3HE MET 18 3HE MET 18 5.578 10.355 6.577 131 H ILE 19 H ILE 19 2.776 13.566 1.916 132 HA ILE 19 HA ILE 19 2.696 10.746 1.012 133 HB ILE 19 HB ILE 19 1.685 13.295 -0.344 134 1HG1 ILE 19 1HG1 ILE 19 0.245 11.086 1.261 135 2HG1 ILE 19 2HG1 ILE 19 0.365 12.784 1.668 136 1HG2 ILE 19 1HG2 ILE 19 0.468 11.833 -1.974 137 2HG2 ILE 19 2HG2 ILE 19 2.208 11.586 -2.113 138 3HG2 ILE 19 3HG2 ILE 19 1.214 10.380 -1.263 139 1HD1 ILE 19 1HD1 ILE 19 -1.279 11.687 -0.688 140 2HD1 ILE 19 2HD1 ILE 19 -1.882 12.366 0.839 141 3HD1 ILE 19 3HD1 ILE 19 -1.048 13.420 -0.327 142 H ALA 20 H ALA 20 4.340 13.712 -0.064 143 HA ALA 20 HA ALA 20 5.511 12.960 -2.528 144 1HB ALA 20 1HB ALA 20 6.873 14.821 -2.324 145 2HB ALA 20 2HB ALA 20 5.699 15.194 -1.047 146 3HB ALA 20 3HB ALA 20 7.292 14.519 -0.621 147 H GLU 21 H GLU 21 6.887 12.422 0.732 148 HA GLU 21 HA GLU 21 9.356 11.080 -0.202 149 1HB GLU 21 1HB GLU 21 9.199 10.288 2.426 150 2HB GLU 21 2HB GLU 21 9.952 11.755 1.835 151 1HG GLU 21 1HG GLU 21 7.815 13.045 2.312 152 2HG GLU 21 2HG GLU 21 7.057 11.571 2.891 153 H PHE 22 H PHE 22 6.164 10.041 0.873 154 HA PHE 22 HA PHE 22 6.604 7.216 1.348 155 1HB PHE 22 1HB PHE 22 4.130 8.792 0.502 156 2HB PHE 22 2HB PHE 22 4.060 7.050 0.526 157 HD1 PHE 22 HD1 PHE 22 2.372 7.034 2.353 158 HD2 PHE 22 HD2 PHE 22 6.202 8.893 2.988 159 HE1 PHE 22 HE1 PHE 22 1.923 7.159 4.768 160 HE2 PHE 22 HE2 PHE 22 5.735 9.005 5.402 161 HZ PHE 22 HZ PHE 22 3.608 8.121 6.299 162 H LYS 23 H LYS 23 5.930 9.041 -1.611 163 HA LYS 23 HA LYS 23 5.589 6.808 -3.496 164 1HB LYS 23 1HB LYS 23 5.048 9.367 -3.828 165 2HB LYS 23 2HB LYS 23 6.725 9.542 -4.301 166 1HG LYS 23 1HG LYS 23 6.437 8.094 -6.239 167 2HG LYS 23 2HG LYS 23 4.889 7.499 -5.673 168 1HD LYS 23 1HD LYS 23 3.813 9.714 -6.095 169 2HD LYS 23 2HD LYS 23 5.376 10.433 -6.443 170 1HE LYS 23 1HE LYS 23 5.650 9.122 -8.511 171 2HE LYS 23 2HE LYS 23 4.209 8.161 -8.173 172 1HZ LYS 23 1HZ LYS 23 2.831 9.971 -8.646 173 2HZ LYS 23 2HZ LYS 23 4.004 11.109 -8.405 174 3HZ LYS 23 3HZ LYS 23 4.037 10.162 -9.758 175 H ALA 24 H ALA 24 8.375 8.683 -2.349 176 HA ALA 24 HA ALA 24 10.445 7.913 -4.167 177 1HB ALA 24 1HB ALA 24 12.062 8.426 -2.349 178 2HB ALA 24 2HB ALA 24 10.776 9.644 -2.426 179 3HB ALA 24 3HB ALA 24 10.756 8.411 -1.139 180 H ALA 25 H ALA 25 9.560 6.328 -1.081 181 HA ALA 25 HA ALA 25 11.456 4.093 -1.257 182 1HB ALA 25 1HB ALA 25 10.172 3.111 0.634 183 2HB ALA 25 2HB ALA 25 10.505 4.831 0.909 184 3HB ALA 25 3HB ALA 25 8.874 4.309 0.417 185 H PHE 26 H PHE 26 8.162 4.604 -2.373 186 HA PHE 26 HA PHE 26 7.278 1.889 -2.834 187 1HB PHE 26 1HB PHE 26 6.448 4.251 -4.608 188 2HB PHE 26 2HB PHE 26 5.915 4.122 -2.952 189 HD1 PHE 26 HD1 PHE 26 4.650 3.738 -6.049 190 HD2 PHE 26 HD2 PHE 26 5.238 1.259 -2.583 191 HE1 PHE 26 HE1 PHE 26 2.792 2.287 -6.758 192 HE2 PHE 26 HE2 PHE 26 3.375 -0.178 -3.305 193 HZ PHE 26 HZ PHE 26 2.134 0.346 -5.376 194 H ASP 27 H ASP 27 9.283 4.075 -4.733 195 HA ASP 27 HA ASP 27 9.321 2.451 -7.220 196 1HB ASP 27 1HB ASP 27 11.323 4.667 -6.522 197 2HB ASP 27 2HB ASP 27 9.694 5.008 -7.057 198 H MET 28 H MET 28 11.205 2.616 -4.284 199 HA MET 28 HA MET 28 13.739 1.524 -4.879 200 1HB MET 28 1HB MET 28 11.997 0.747 -2.469 201 2HB MET 28 2HB MET 28 13.689 0.314 -2.641 202 1HG MET 28 1HG MET 28 12.850 3.266 -2.782 203 2HG MET 28 2HG MET 28 13.059 2.447 -1.226 204 1HE MET 28 1HE MET 28 15.881 0.578 -1.336 205 2HE MET 28 2HE MET 28 16.677 2.013 -0.626 206 3HE MET 28 3HE MET 28 14.984 1.630 -0.196 207 H PHE 29 H PHE 29 10.675 -0.256 -4.544 208 HA PHE 29 HA PHE 29 11.998 -2.839 -5.533 209 1HB PHE 29 1HB PHE 29 9.891 -3.993 -4.712 210 2HB PHE 29 2HB PHE 29 9.275 -2.466 -4.145 211 HD1 PHE 29 HD1 PHE 29 12.865 -2.630 -3.631 212 HD2 PHE 29 HD2 PHE 29 9.102 -3.840 -1.924 213 HE1 PHE 29 HE1 PHE 29 13.935 -2.899 -1.431 214 HE2 PHE 29 HE2 PHE 29 10.197 -4.120 0.262 215 HZ PHE 29 HZ PHE 29 12.606 -3.643 0.515 216 H ASP 30 H ASP 30 9.409 -0.510 -6.103 217 HA ASP 30 HA ASP 30 8.363 -1.863 -8.560 218 1HB ASP 30 1HB ASP 30 7.742 1.023 -7.739 219 2HB ASP 30 2HB ASP 30 6.993 -0.346 -6.950 220 H ALA 31 H ALA 31 9.915 -2.059 -10.052 221 HA ALA 31 HA ALA 31 11.742 0.170 -10.884 222 1HB ALA 31 1HB ALA 31 12.634 -1.483 -12.530 223 2HB ALA 31 2HB ALA 31 12.572 -2.157 -10.890 224 3HB ALA 31 3HB ALA 31 11.357 -2.645 -12.099 225 H ASP 32 H ASP 32 9.719 -1.908 -12.941 226 HA ASP 32 HA ASP 32 8.388 0.506 -14.236 227 1HB ASP 32 1HB ASP 32 8.710 -0.831 -16.529 228 2HB ASP 32 2HB ASP 32 9.866 0.352 -15.962 229 H GLY 33 H GLY 33 6.367 0.142 -13.688 230 1HA GLY 33 1HA GLY 33 4.938 -2.371 -14.653 231 2HA GLY 33 2HA GLY 33 4.850 -2.033 -12.922 232 H GLY 34 H GLY 34 3.988 0.052 -12.237 233 1HA GLY 34 1HA GLY 34 2.664 2.094 -13.745 234 2HA GLY 34 2HA GLY 34 1.489 0.776 -13.708 235 H GLY 35 H GLY 35 3.835 1.685 -11.201 236 1HA GLY 35 1HA GLY 35 3.553 2.597 -8.956 237 2HA GLY 35 2HA GLY 35 1.930 3.107 -9.432 238 H ASP 36 H ASP 36 3.402 -0.132 -9.407 239 HA ASP 36 HA ASP 36 1.625 -1.117 -7.164 240 1HB ASP 36 1HB ASP 36 0.841 -3.084 -8.732 241 2HB ASP 36 2HB ASP 36 1.227 -2.011 -10.058 242 H ILE 37 H ILE 37 2.359 -2.990 -6.251 243 HA ILE 37 HA ILE 37 4.751 -4.492 -7.378 244 HB ILE 37 HB ILE 37 5.833 -4.308 -4.991 245 1HG1 ILE 37 1HG1 ILE 37 3.887 -1.996 -4.904 246 2HG1 ILE 37 2HG1 ILE 37 5.535 -1.578 -4.487 247 1HG2 ILE 37 1HG2 ILE 37 7.356 -2.517 -5.836 248 2HG2 ILE 37 2HG2 ILE 37 6.911 -3.611 -7.154 249 3HG2 ILE 37 3HG2 ILE 37 6.148 -2.007 -7.040 250 1HD1 ILE 37 1HD1 ILE 37 5.616 -3.222 -2.637 251 2HD1 ILE 37 2HD1 ILE 37 4.206 -2.154 -2.465 252 3HD1 ILE 37 3HD1 ILE 37 3.987 -3.816 -3.059 253 H SER 38 H SER 38 5.217 -6.364 -5.835 254 HA SER 38 HA SER 38 2.779 -7.992 -5.463 255 1HB SER 38 1HB SER 38 5.168 -8.974 -4.007 256 2HB SER 38 2HB SER 38 5.528 -8.528 -5.677 257 HG SER 38 HG SER 38 3.420 -9.735 -6.076 258 H THR 39 H THR 39 2.127 -8.938 -3.430 259 HA THR 39 HA THR 39 1.800 -6.903 -1.248 260 HB THR 39 HB THR 39 0.090 -8.208 -0.327 261 HG1 THR 39 HG1 THR 39 -0.186 -10.421 -1.270 262 1HG2 THR 39 1HG2 THR 39 -1.454 -8.817 -2.137 263 2HG2 THR 39 2HG2 THR 39 -0.588 -7.336 -2.604 264 3HG2 THR 39 3HG2 THR 39 -0.130 -8.903 -3.322 265 H LYS 40 H LYS 40 3.545 -9.895 -1.851 266 HA LYS 40 HA LYS 40 4.221 -10.688 0.866 267 1HB LYS 40 1HB LYS 40 5.366 -11.298 -1.870 268 2HB LYS 40 2HB LYS 40 6.410 -11.627 -0.503 269 1HG LYS 40 1HG LYS 40 4.446 -13.022 0.495 270 2HG LYS 40 2HG LYS 40 3.630 -12.825 -1.043 271 1HD LYS 40 1HD LYS 40 5.461 -14.045 -2.236 272 2HD LYS 40 2HD LYS 40 6.423 -14.077 -0.768 273 1HE LYS 40 1HE LYS 40 3.688 -15.345 -0.529 274 2HE LYS 40 2HE LYS 40 5.213 -15.828 0.216 275 1HZ LYS 40 1HZ LYS 40 5.800 -16.353 -2.308 276 2HZ LYS 40 2HZ LYS 40 4.984 -17.439 -1.367 277 3HZ LYS 40 3HZ LYS 40 4.159 -16.491 -2.439 278 H GLU 41 H GLU 41 5.654 -8.391 -1.389 279 HA GLU 41 HA GLU 41 8.012 -7.803 0.419 280 1HB GLU 41 1HB GLU 41 7.580 -6.327 -2.190 281 2HB GLU 41 2HB GLU 41 9.073 -6.750 -1.375 282 1HG GLU 41 1HG GLU 41 7.324 -8.998 -2.504 283 2HG GLU 41 2HG GLU 41 8.276 -8.020 -3.607 284 H LEU 42 H LEU 42 5.012 -6.386 -0.743 285 HA LEU 42 HA LEU 42 5.097 -3.665 -0.252 286 1HB LEU 42 1HB LEU 42 3.019 -4.504 -1.000 287 2HB LEU 42 2HB LEU 42 2.921 -5.729 0.245 288 HG LEU 42 HG LEU 42 1.165 -4.058 0.548 289 1HD1 LEU 42 1HD1 LEU 42 3.300 -1.876 1.003 290 2HD1 LEU 42 2HD1 LEU 42 2.439 -2.097 -0.528 291 3HD1 LEU 42 3HD1 LEU 42 1.531 -1.669 0.943 292 1HD2 LEU 42 1HD2 LEU 42 1.404 -3.498 2.926 293 2HD2 LEU 42 2HD2 LEU 42 2.182 -5.077 2.657 294 3HD2 LEU 42 3HD2 LEU 42 3.180 -3.625 2.842 295 H GLY 43 H GLY 43 4.239 -6.014 2.310 296 1HA GLY 43 1HA GLY 43 4.662 -6.007 4.718 297 2HA GLY 43 2HA GLY 43 4.321 -4.281 4.601 298 H THR 44 H THR 44 7.005 -6.248 3.256 299 HA THR 44 HA THR 44 9.088 -5.615 5.021 300 HB THR 44 HB THR 44 9.126 -6.335 2.110 301 HG1 THR 44 HG1 THR 44 10.725 -7.312 4.191 302 1HG2 THR 44 1HG2 THR 44 11.616 -6.223 1.980 303 2HG2 THR 44 2HG2 THR 44 10.908 -4.597 2.079 304 3HG2 THR 44 3HG2 THR 44 11.673 -5.323 3.516 305 H VAL 45 H VAL 45 7.654 -3.626 2.504 306 HA VAL 45 HA VAL 45 9.633 -1.410 2.595 307 HB VAL 45 HB VAL 45 6.824 -1.479 1.378 308 1HG1 VAL 45 1HG1 VAL 45 9.538 -1.569 -0.083 309 2HG1 VAL 45 2HG1 VAL 45 8.595 -3.014 0.304 310 3HG1 VAL 45 3HG1 VAL 45 7.913 -1.785 -0.785 311 1HG2 VAL 45 1HG2 VAL 45 7.302 0.608 0.209 312 2HG2 VAL 45 2HG2 VAL 45 7.610 0.920 1.933 313 3HG2 VAL 45 3HG2 VAL 45 8.972 0.666 0.831 314 H MET 46 H MET 46 6.429 -2.082 3.996 315 HA MET 46 HA MET 46 5.881 0.389 5.370 316 1HB MET 46 1HB MET 46 4.573 -1.049 7.056 317 2HB MET 46 2HB MET 46 5.158 -2.471 6.213 318 1HG MET 46 1HG MET 46 3.307 -0.293 5.070 319 2HG MET 46 2HG MET 46 4.069 -1.523 4.049 320 1HE MET 46 1HE MET 46 1.232 -0.402 5.456 321 2HE MET 46 2HE MET 46 0.394 -1.694 4.547 322 3HE MET 46 3HE MET 46 0.314 -1.666 6.333 323 NH1 ARG 47 NH1 ARG 47 12.511 -7.295 10.072 324 NH2 ARG 47 NH2 ARG 47 13.881 -5.952 11.288 325 H ARG 47 H ARG 47 8.095 -2.229 6.152 326 HA ARG 47 HA ARG 47 8.700 -1.172 8.939 327 1HB ARG 47 1HB ARG 47 8.493 -3.533 8.972 328 2HB ARG 47 2HB ARG 47 9.330 -3.742 7.441 329 1HG ARG 47 1HG ARG 47 10.712 -2.847 10.042 330 2HG ARG 47 2HG ARG 47 11.521 -3.096 8.493 331 1HD ARG 47 1HD ARG 47 11.225 -5.476 8.542 332 2HD ARG 47 2HD ARG 47 9.885 -5.400 9.685 333 HE ARG 47 HE ARG 47 11.812 -4.505 11.370 334 1HH1 ARG 47 1HH1 ARG 47 14.545 -6.734 11.258 335 2HH1 ARG 47 2HH1 ARG 47 14.010 -5.056 11.771 336 1HH2 ARG 47 1HH2 ARG 47 11.675 -7.372 9.483 337 2HH2 ARG 47 2HH2 ARG 47 13.188 -8.039 10.279 338 H MET 48 H MET 48 10.123 -1.459 5.731 339 HA MET 48 HA MET 48 12.914 -0.875 6.513 340 1HB MET 48 1HB MET 48 13.095 -0.272 3.905 341 2HB MET 48 2HB MET 48 11.484 -0.960 3.817 342 1HG MET 48 1HG MET 48 12.595 -2.939 3.443 343 2HG MET 48 2HG MET 48 12.769 -2.992 5.204 344 1HE MET 48 1HE MET 48 14.560 -4.315 5.478 345 2HE MET 48 2HE MET 48 15.441 -4.633 3.954 346 3HE MET 48 3HE MET 48 16.280 -3.840 5.319 347 H LEU 49 H LEU 49 10.165 1.090 6.246 348 HA LEU 49 HA LEU 49 11.578 3.715 5.746 349 1HB LEU 49 1HB LEU 49 8.720 3.167 6.749 350 2HB LEU 49 2HB LEU 49 9.367 4.740 6.339 351 HG LEU 49 HG LEU 49 8.534 2.463 4.503 352 1HD1 LEU 49 1HD1 LEU 49 10.508 4.636 3.554 353 2HD1 LEU 49 2HD1 LEU 49 10.958 2.951 3.872 354 3HD1 LEU 49 3HD1 LEU 49 9.801 3.329 2.571 355 1HD2 LEU 49 1HD2 LEU 49 7.361 4.234 3.264 356 2HD2 LEU 49 2HD2 LEU 49 7.024 4.489 4.994 357 3HD2 LEU 49 3HD2 LEU 49 8.208 5.514 4.169 358 H GLY 50 H GLY 50 10.324 1.715 8.375 359 1HA GLY 50 1HA GLY 50 11.600 3.491 10.531 360 2HA GLY 50 2HA GLY 50 12.156 1.817 10.340 361 H GLN 51 H GLN 51 10.982 0.151 11.057 362 HA GLN 51 HA GLN 51 8.606 0.643 12.881 363 1HB GLN 51 1HB GLN 51 7.928 0.224 10.277 364 2HB GLN 51 2HB GLN 51 8.144 -1.452 10.747 365 1HG GLN 51 1HG GLN 51 5.757 -0.512 10.924 366 2HG GLN 51 2HG GLN 51 6.339 -1.428 12.299 367 1HE2 GLN 51 1HE2 GLN 51 5.414 2.572 12.752 368 2HE2 GLN 51 2HE2 GLN 51 5.454 1.760 11.107 369 H ASN 52 H ASN 52 7.857 -1.607 13.688 370 HA ASN 52 HA ASN 52 10.138 -3.606 13.887 371 1HB ASN 52 1HB ASN 52 10.316 -3.560 16.194 372 2HB ASN 52 2HB ASN 52 8.671 -3.029 16.466 373 1HD2 ASN 52 1HD2 ASN 52 11.762 -0.341 16.311 374 2HD2 ASN 52 2HD2 ASN 52 11.987 -2.143 16.048 375 HA PRO 53 HA PRO 53 5.543 -5.317 13.834 376 1HB PRO 53 1HB PRO 53 5.015 -5.918 11.202 377 2HB PRO 53 2HB PRO 53 4.852 -4.295 11.890 378 1HG PRO 53 1HG PRO 53 7.196 -5.398 10.265 379 2HG PRO 53 2HG PRO 53 6.352 -3.847 10.052 380 1HD PRO 53 1HD PRO 53 8.743 -4.097 11.470 381 2HD PRO 53 2HD PRO 53 7.529 -2.846 11.876 382 H THR 54 H THR 54 4.934 -7.524 12.245 383 HA THR 54 HA THR 54 7.248 -9.501 12.513 384 HB THR 54 HB THR 54 4.662 -10.791 13.081 385 HG1 THR 54 HG1 THR 54 4.661 -9.942 15.236 386 1HG2 THR 54 1HG2 THR 54 5.896 -11.815 14.964 387 2HG2 THR 54 2HG2 THR 54 6.872 -11.919 13.481 388 3HG2 THR 54 3HG2 THR 54 7.268 -10.707 14.725 389 H LYS 55 H LYS 55 7.235 -11.173 11.025 390 HA LYS 55 HA LYS 55 6.210 -10.493 8.324 391 1HB LYS 55 1HB LYS 55 7.726 -12.923 9.419 392 2HB LYS 55 2HB LYS 55 7.137 -12.893 7.771 393 1HG LYS 55 1HG LYS 55 8.823 -10.541 8.710 394 2HG LYS 55 2HG LYS 55 8.663 -11.210 7.098 395 1HD LYS 55 1HD LYS 55 9.913 -13.125 9.055 396 2HD LYS 55 2HD LYS 55 10.342 -12.752 7.393 397 1HE LYS 55 1HE LYS 55 10.926 -10.687 9.576 398 2HE LYS 55 2HE LYS 55 12.017 -12.054 9.343 399 1HZ LYS 55 1HZ LYS 55 11.756 -11.171 6.819 400 2HZ LYS 55 2HZ LYS 55 11.561 -9.746 7.631 401 3HZ LYS 55 3HZ LYS 55 12.932 -10.641 7.851 402 H GLU 56 H GLU 56 5.336 -12.717 10.917 403 HA GLU 56 HA GLU 56 3.320 -14.323 9.546 404 1HB GLU 56 1HB GLU 56 3.074 -13.703 12.511 405 2HB GLU 56 2HB GLU 56 4.462 -14.604 11.934 406 1HG GLU 56 1HG GLU 56 2.498 -16.100 10.725 407 2HG GLU 56 2HG GLU 56 1.541 -15.435 12.038 408 H GLU 57 H GLU 57 3.249 -11.176 11.124 409 HA GLU 57 HA GLU 57 0.310 -10.804 11.238 410 1HB GLU 57 1HB GLU 57 0.764 -8.428 11.691 411 2HB GLU 57 2HB GLU 57 2.442 -8.605 11.221 412 1HG GLU 57 1HG GLU 57 2.769 -10.240 13.181 413 2HG GLU 57 2HG GLU 57 2.422 -8.578 13.626 414 H LEU 58 H LEU 58 2.880 -10.047 8.922 415 HA LEU 58 HA LEU 58 1.432 -8.407 6.989 416 1HB LEU 58 1HB LEU 58 3.775 -8.478 6.677 417 2HB LEU 58 2HB LEU 58 3.867 -10.221 6.815 418 HG LEU 58 HG LEU 58 2.450 -8.941 4.414 419 1HD1 LEU 58 1HD1 LEU 58 4.620 -9.039 3.145 420 2HD1 LEU 58 2HD1 LEU 58 4.701 -7.875 4.476 421 3HD1 LEU 58 3HD1 LEU 58 5.488 -9.464 4.643 422 1HD2 LEU 58 1HD2 LEU 58 3.912 -11.649 4.726 423 2HD2 LEU 58 2HD2 LEU 58 2.146 -11.414 4.711 424 3HD2 LEU 58 3HD2 LEU 58 3.095 -11.061 3.255 425 H ASP 59 H ASP 59 1.603 -11.873 7.581 426 HA ASP 59 HA ASP 59 0.265 -12.850 5.176 427 1HB ASP 59 1HB ASP 59 0.113 -14.299 7.869 428 2HB ASP 59 2HB ASP 59 -0.008 -14.983 6.264 429 H ALA 60 H ALA 60 -0.947 -11.892 8.381 430 HA ALA 60 HA ALA 60 -3.739 -12.655 8.064 431 1HB ALA 60 1HB ALA 60 -4.185 -11.155 10.002 432 2HB ALA 60 2HB ALA 60 -2.751 -12.162 10.279 433 3HB ALA 60 3HB ALA 60 -2.562 -10.439 9.862 434 H ILE 61 H ILE 61 -2.207 -9.426 7.761 435 HA ILE 61 HA ILE 61 -4.382 -7.873 6.829 436 HB ILE 61 HB ILE 61 -1.432 -7.560 6.104 437 1HG1 ILE 61 1HG1 ILE 61 -1.664 -7.149 8.467 438 2HG1 ILE 61 2HG1 ILE 61 -3.213 -6.354 8.289 439 1HG2 ILE 61 1HG2 ILE 61 -1.960 -5.241 5.308 440 2HG2 ILE 61 2HG2 ILE 61 -2.790 -6.441 4.321 441 3HG2 ILE 61 3HG2 ILE 61 -3.700 -5.534 5.551 442 1HD1 ILE 61 1HD1 ILE 61 -2.194 -4.319 7.307 443 2HD1 ILE 61 2HD1 ILE 61 -1.421 -4.727 8.854 444 3HD1 ILE 61 3HD1 ILE 61 -0.584 -5.089 7.327 445 H ILE 62 H ILE 62 -2.251 -10.114 5.127 446 HA ILE 62 HA ILE 62 -3.012 -9.442 2.350 447 HB ILE 62 HB ILE 62 -1.372 -11.588 3.649 448 1HG1 ILE 62 1HG1 ILE 62 -0.662 -10.455 0.931 449 2HG1 ILE 62 2HG1 ILE 62 0.367 -10.804 2.304 450 1HG2 ILE 62 1HG2 ILE 62 -1.282 -13.041 1.607 451 2HG2 ILE 62 2HG2 ILE 62 -2.913 -13.022 2.275 452 3HG2 ILE 62 3HG2 ILE 62 -2.546 -12.058 0.827 453 1HD1 ILE 62 1HD1 ILE 62 -0.292 -8.726 3.483 454 2HD1 ILE 62 2HD1 ILE 62 0.271 -8.362 1.838 455 3HD1 ILE 62 3HD1 ILE 62 -1.471 -8.343 2.198 456 H GLU 63 H GLU 63 -4.162 -11.744 4.777 457 HA GLU 63 HA GLU 63 -6.037 -13.233 3.083 458 1HB GLU 63 1HB GLU 63 -5.521 -13.046 6.029 459 2HB GLU 63 2HB GLU 63 -5.581 -14.442 4.971 460 1HG GLU 63 1HG GLU 63 -7.455 -14.063 6.835 461 2HG GLU 63 2HG GLU 63 -8.174 -12.960 5.673 462 H GLU 64 H GLU 64 -6.276 -10.272 4.979 463 HA GLU 64 HA GLU 64 -9.214 -10.006 4.960 464 1HB GLU 64 1HB GLU 64 -7.380 -7.602 5.288 465 2HB GLU 64 2HB GLU 64 -7.386 -8.860 6.508 466 1HG GLU 64 1HG GLU 64 -10.038 -8.494 6.537 467 2HG GLU 64 2HG GLU 64 -9.680 -6.990 5.705 468 H VAL 65 H VAL 65 -6.584 -8.661 2.978 469 HA VAL 65 HA VAL 65 -8.370 -6.980 1.269 470 HB VAL 65 HB VAL 65 -6.066 -6.247 1.766 471 1HG1 VAL 65 1HG1 VAL 65 -4.071 -7.258 0.644 472 2HG1 VAL 65 2HG1 VAL 65 -4.843 -8.427 1.732 473 3HG1 VAL 65 3HG1 VAL 65 -5.076 -8.566 -0.027 474 1HG2 VAL 65 1HG2 VAL 65 -6.533 -6.639 -1.271 475 2HG2 VAL 65 2HG2 VAL 65 -7.147 -5.297 -0.276 476 3HG2 VAL 65 3HG2 VAL 65 -5.406 -5.475 -0.532 477 H ASP 66 H ASP 66 -7.053 -10.226 1.256 478 HA ASP 66 HA ASP 66 -8.008 -10.726 -1.611 479 1HB ASP 66 1HB ASP 66 -6.021 -12.523 -0.131 480 2HB ASP 66 2HB ASP 66 -5.493 -11.081 -0.968 481 H GLU 67 H GLU 67 -9.990 -10.608 0.053 482 HA GLU 67 HA GLU 67 -10.691 -13.039 1.595 483 1HB GLU 67 1HB GLU 67 -12.166 -10.555 0.768 484 2HB GLU 67 2HB GLU 67 -13.158 -11.969 1.065 485 1HG GLU 67 1HG GLU 67 -11.616 -12.054 3.354 486 2HG GLU 67 2HG GLU 67 -11.509 -10.334 3.016 487 H ASP 68 H ASP 68 -11.149 -11.924 -1.719 488 HA ASP 68 HA ASP 68 -11.654 -14.753 -2.669 489 1HB ASP 68 1HB ASP 68 -13.950 -13.942 -2.167 490 2HB ASP 68 2HB ASP 68 -13.717 -12.540 -3.186 491 H GLY 69 H GLY 69 -11.939 -11.386 -3.884 492 1HA GLY 69 1HA GLY 69 -10.340 -12.070 -6.381 493 2HA GLY 69 2HA GLY 69 -11.235 -10.571 -6.107 494 H SER 70 H SER 70 -9.306 -9.541 -6.866 495 HA SER 70 HA SER 70 -7.459 -8.042 -6.425 496 1HB SER 70 1HB SER 70 -7.330 -9.046 -3.546 497 2HB SER 70 2HB SER 70 -8.623 -7.966 -4.075 498 HG SER 70 HG SER 70 -7.145 -6.570 -3.580 499 H GLY 71 H GLY 71 -5.110 -8.200 -5.831 500 1HA GLY 71 1HA GLY 71 -3.722 -10.419 -7.074 501 2HA GLY 71 2HA GLY 71 -3.798 -10.817 -5.354 502 H THR 72 H THR 72 -3.460 -7.656 -6.951 503 HA THR 72 HA THR 72 -0.658 -7.356 -5.808 504 HB THR 72 HB THR 72 -0.044 -5.856 -7.497 505 HG1 THR 72 HG1 THR 72 -2.641 -5.757 -8.541 506 1HG2 THR 72 1HG2 THR 72 -0.130 -7.036 -9.519 507 2HG2 THR 72 2HG2 THR 72 -0.519 -8.341 -8.377 508 3HG2 THR 72 3HG2 THR 72 -1.818 -7.552 -9.309 509 H ILE 73 H ILE 73 -0.407 -4.618 -5.864 510 HA ILE 73 HA ILE 73 -2.611 -3.365 -4.282 511 HB ILE 73 HB ILE 73 -1.163 -4.778 -2.667 512 1HG1 ILE 73 1HG1 ILE 73 -1.281 -2.528 -1.021 513 2HG1 ILE 73 2HG1 ILE 73 -2.369 -2.067 -2.318 514 1HG2 ILE 73 1HG2 ILE 73 0.822 -3.750 -1.624 515 2HG2 ILE 73 2HG2 ILE 73 1.130 -3.960 -3.353 516 3HG2 ILE 73 3HG2 ILE 73 0.739 -2.346 -2.713 517 1HD1 ILE 73 1HD1 ILE 73 -2.772 -4.830 -1.076 518 2HD1 ILE 73 2HD1 ILE 73 -3.321 -3.378 -0.213 519 3HD1 ILE 73 3HD1 ILE 73 -3.961 -3.737 -1.835 520 H ASP 74 H ASP 74 -2.593 -1.180 -4.381 521 HA ASP 74 HA ASP 74 -0.486 0.124 -6.168 522 1HB ASP 74 1HB ASP 74 -2.367 2.020 -6.238 523 2HB ASP 74 2HB ASP 74 -2.393 0.633 -7.303 524 H PHE 75 H PHE 75 -0.722 2.715 -5.593 525 HA PHE 75 HA PHE 75 0.824 2.917 -3.033 526 1HB PHE 75 1HB PHE 75 1.703 4.090 -4.978 527 2HB PHE 75 2HB PHE 75 0.207 4.941 -5.259 528 HD1 PHE 75 HD1 PHE 75 2.722 4.494 -2.422 529 HD2 PHE 75 HD2 PHE 75 0.106 7.199 -4.510 530 HE1 PHE 75 HE1 PHE 75 3.623 6.382 -1.126 531 HE2 PHE 75 HE2 PHE 75 1.046 9.079 -3.227 532 HZ PHE 75 HZ PHE 75 2.785 8.674 -1.522 533 H GLU 76 H GLU 76 -2.325 3.817 -4.325 534 HA GLU 76 HA GLU 76 -3.231 5.636 -2.222 535 1HB GLU 76 1HB GLU 76 -4.387 5.629 -4.335 536 2HB GLU 76 2HB GLU 76 -5.518 5.261 -3.049 537 1HG GLU 76 1HG GLU 76 -4.328 3.222 -5.039 538 2HG GLU 76 2HG GLU 76 -5.362 2.775 -3.692 539 H GLU 77 H GLU 77 -3.722 2.140 -2.731 540 HA GLU 77 HA GLU 77 -5.204 1.603 -0.226 541 1HB GLU 77 1HB GLU 77 -3.599 -0.554 -1.644 542 2HB GLU 77 2HB GLU 77 -4.997 0.144 -2.437 543 1HG GLU 77 1HG GLU 77 -4.872 -1.663 -0.005 544 2HG GLU 77 2HG GLU 77 -6.149 -0.459 0.000 545 H PHE 78 H PHE 78 -1.815 1.628 -1.206 546 HA PHE 78 HA PHE 78 -0.514 0.439 1.067 547 1HB PHE 78 1HB PHE 78 0.662 1.100 -1.042 548 2HB PHE 78 2HB PHE 78 0.504 2.790 -0.641 549 HD1 PHE 78 HD1 PHE 78 1.153 0.570 2.238 550 HD2 PHE 78 HD2 PHE 78 3.053 2.857 -0.871 551 HE1 PHE 78 HE1 PHE 78 3.297 0.444 3.441 552 HE2 PHE 78 HE2 PHE 78 5.194 2.695 0.331 553 HZ PHE 78 HZ PHE 78 5.313 1.524 2.503 554 H LEU 79 H LEU 79 -1.613 3.780 0.532 555 HA LEU 79 HA LEU 79 -0.657 4.956 3.050 556 1HB LEU 79 1HB LEU 79 -2.371 6.786 2.573 557 2HB LEU 79 2HB LEU 79 -2.953 5.852 1.212 558 HG LEU 79 HG LEU 79 -1.066 6.297 -0.124 559 1HD1 LEU 79 1HD1 LEU 79 -0.562 8.739 0.041 560 2HD1 LEU 79 2HD1 LEU 79 -2.289 8.438 0.314 561 3HD1 LEU 79 3HD1 LEU 79 -1.222 8.790 1.696 562 1HD2 LEU 79 1HD2 LEU 79 0.600 6.938 2.402 563 2HD2 LEU 79 2HD2 LEU 79 0.726 5.467 1.406 564 3HD2 LEU 79 3HD2 LEU 79 1.186 7.033 0.722 565 H VAL 80 H VAL 80 -3.587 3.261 2.067 566 HA VAL 80 HA VAL 80 -5.302 3.917 4.346 567 HB VAL 80 HB VAL 80 -5.480 2.107 2.031 568 1HG1 VAL 80 1HG1 VAL 80 -7.758 3.392 3.662 569 2HG1 VAL 80 2HG1 VAL 80 -6.828 4.274 2.443 570 3HG1 VAL 80 3HG1 VAL 80 -7.793 2.860 1.961 571 1HG2 VAL 80 1HG2 VAL 80 -7.102 0.476 2.878 572 2HG2 VAL 80 2HG2 VAL 80 -5.638 0.318 3.876 573 3HG2 VAL 80 3HG2 VAL 80 -7.051 1.171 4.516 574 H MET 81 H MET 81 -2.893 1.420 3.717 575 HA MET 81 HA MET 81 -3.450 -0.259 6.099 576 1HB MET 81 1HB MET 81 -1.466 -1.543 5.502 577 2HB MET 81 2HB MET 81 -0.846 -0.255 4.484 578 1HG MET 81 1HG MET 81 -3.284 -0.715 3.221 579 2HG MET 81 2HG MET 81 -1.748 -1.469 2.762 580 1HE MET 81 1HE MET 81 -4.715 -2.215 2.341 581 2HE MET 81 2HE MET 81 -4.024 -3.808 1.914 582 3HE MET 81 3HE MET 81 -5.296 -3.696 3.166 583 H MET 82 H MET 82 -1.179 2.329 5.277 584 HA MET 82 HA MET 82 0.632 2.133 7.560 585 1HB MET 82 1HB MET 82 1.391 4.414 7.010 586 2HB MET 82 2HB MET 82 -0.028 4.704 6.020 587 1HG MET 82 1HG MET 82 1.387 2.288 5.052 588 2HG MET 82 2HG MET 82 0.944 3.764 4.178 589 1HE MET 82 1HE MET 82 3.951 3.268 7.333 590 2HE MET 82 2HE MET 82 3.219 1.901 6.441 591 3HE MET 82 3HE MET 82 4.860 2.466 6.013 592 H VAL 83 H VAL 83 -2.226 4.197 6.981 593 HA VAL 83 HA VAL 83 -2.276 5.541 9.592 594 HB VAL 83 HB VAL 83 -4.896 5.717 8.906 595 1HG1 VAL 83 1HG1 VAL 83 -4.342 7.872 7.764 596 2HG1 VAL 83 2HG1 VAL 83 -3.355 7.665 9.218 597 3HG1 VAL 83 3HG1 VAL 83 -2.635 7.380 7.616 598 1HG2 VAL 83 1HG2 VAL 83 -3.506 5.316 6.173 599 2HG2 VAL 83 2HG2 VAL 83 -4.779 4.276 6.853 600 3HG2 VAL 83 3HG2 VAL 83 -5.152 5.952 6.427 601 NH1 ARG 84 NH1 ARG 84 -9.923 -1.560 10.229 602 NH2 ARG 84 NH2 ARG 84 -11.065 -0.080 8.939 603 H ARG 84 H ARG 84 -3.957 2.679 8.273 604 HA ARG 84 HA ARG 84 -5.574 1.833 10.490 605 1HB ARG 84 1HB ARG 84 -4.188 0.316 8.247 606 2HB ARG 84 2HB ARG 84 -4.837 -0.605 9.596 607 1HG ARG 84 1HG ARG 84 -6.668 1.461 8.316 608 2HG ARG 84 2HG ARG 84 -6.337 -0.025 7.423 609 1HD ARG 84 1HD ARG 84 -7.088 -1.399 9.431 610 2HD ARG 84 2HD ARG 84 -7.459 0.086 10.304 611 HE ARG 84 HE ARG 84 -8.872 -0.027 7.682 612 1HH1 ARG 84 1HH1 ARG 84 -11.905 -0.451 9.396 613 2HH1 ARG 84 2HH1 ARG 84 -11.025 0.672 8.242 614 1HH2 ARG 84 1HH2 ARG 84 -9.011 -1.902 10.552 615 2HH2 ARG 84 2HH2 ARG 84 -10.846 -1.865 10.559 616 H GLN 85 H GLN 85 -2.094 1.536 9.971 617 HA GLN 85 HA GLN 85 -1.587 -0.388 12.208 618 1HB GLN 85 1HB GLN 85 -0.166 0.204 9.946 619 2HB GLN 85 2HB GLN 85 0.663 1.272 11.064 620 1HG GLN 85 1HG GLN 85 1.885 -0.823 10.975 621 2HG GLN 85 2HG GLN 85 1.201 -0.660 12.579 622 1HE2 GLN 85 1HE2 GLN 85 0.231 -3.910 10.304 623 2HE2 GLN 85 2HE2 GLN 85 1.342 -2.575 9.713 624 H MET 86 H MET 86 -1.312 3.098 11.644 625 HA MET 86 HA MET 86 0.187 3.838 14.057 626 1HB MET 86 1HB MET 86 -1.519 5.430 12.092 627 2HB MET 86 2HB MET 86 -0.999 6.180 13.590 628 1HG MET 86 1HG MET 86 1.414 5.771 13.005 629 2HG MET 86 2HG MET 86 0.923 4.943 11.519 630 1HE MET 86 1HE MET 86 2.346 6.274 10.150 631 2HE MET 86 2HE MET 86 1.954 7.898 9.513 632 3HE MET 86 3HE MET 86 2.886 7.739 11.030 633 H LYS 87 H LYS 87 -3.228 3.374 13.337 634 HA LYS 87 HA LYS 87 -4.364 4.517 15.830 635 1HB LYS 87 1HB LYS 87 -5.901 4.353 14.013 636 2HB LYS 87 2HB LYS 87 -5.488 2.690 13.650 637 1HG LYS 87 1HG LYS 87 -6.735 1.843 15.544 638 2HG LYS 87 2HG LYS 87 -6.827 3.416 16.311 639 1HD LYS 87 1HD LYS 87 -8.268 4.141 14.188 640 2HD LYS 87 2HD LYS 87 -8.363 2.419 13.859 641 1HE LYS 87 1HE LYS 87 -9.615 1.933 15.852 642 2HE LYS 87 2HE LYS 87 -9.198 3.465 16.624 643 1HZ LYS 87 1HZ LYS 87 -11.198 2.924 14.545 644 2HZ LYS 87 2HZ LYS 87 -11.289 3.919 15.861 645 3HZ LYS 87 3HZ LYS 87 -10.471 4.407 14.511 646 H GLU 88 H GLU 88 -3.657 1.197 14.691 647 HA GLU 88 HA GLU 88 -4.357 -0.209 17.189 648 1HB GLU 88 1HB GLU 88 -3.950 -1.104 14.686 649 2HB GLU 88 2HB GLU 88 -2.323 -1.381 15.274 650 1HG GLU 88 1HG GLU 88 -4.062 -3.341 15.416 651 2HG GLU 88 2HG GLU 88 -2.989 -3.083 16.781 652 H ASP 89 H ASP 89 -3.055 -0.896 18.834 653 HA ASP 89 HA ASP 89 -0.794 0.823 19.640 654 1HB ASP 89 1HB ASP 89 -2.068 -1.636 20.927 655 2HB ASP 89 2HB ASP 89 -2.168 0.037 21.423 656 H ALA 90 H ALA 90 -0.828 -2.741 19.405 657 HA ALA 90 HA ALA 90 2.025 -2.693 18.267 658 1HB ALA 90 1HB ALA 90 1.390 -3.938 20.593 659 2HB ALA 90 2HB ALA 90 0.870 -5.234 19.498 660 3HB ALA 90 3HB ALA 90 2.557 -4.667 19.461 Start of MODEL 24 Raw file had 660 H/Q atoms Start of MODEL 24 1 1H ALA 1 1H ALA 1 -23.923 2.622 5.491 2 2H ALA 1 2H ALA 1 -23.768 1.874 6.989 3 3H ALA 1 3H ALA 1 -24.061 3.528 6.901 4 HA ALA 1 HA ALA 1 -21.980 4.083 6.319 5 1HB ALA 1 1HB ALA 1 -20.750 3.325 8.117 6 2HB ALA 1 2HB ALA 1 -22.259 2.517 8.582 7 3HB ALA 1 3HB ALA 1 -20.987 1.604 7.731 8 H SER 2 H SER 2 -20.787 3.990 4.558 9 HA SER 2 HA SER 2 -20.072 1.310 3.256 10 1HB SER 2 1HB SER 2 -20.664 3.671 1.447 11 2HB SER 2 2HB SER 2 -20.733 1.939 1.110 12 HG SER 2 HG SER 2 -22.630 1.790 2.072 13 H MET 3 H MET 3 -17.973 1.115 2.999 14 HA MET 3 HA MET 3 -16.105 3.543 3.096 15 1HB MET 3 1HB MET 3 -14.273 1.965 3.599 16 2HB MET 3 2HB MET 3 -15.562 1.872 4.785 17 1HG MET 3 1HG MET 3 -14.699 -0.216 2.751 18 2HG MET 3 2HG MET 3 -16.405 -0.191 3.224 19 1HE MET 3 1HE MET 3 -16.530 -1.008 6.952 20 2HE MET 3 2HE MET 3 -16.303 0.717 6.536 21 3HE MET 3 3HE MET 3 -17.346 -0.316 5.515 22 H THR 4 H THR 4 -17.583 3.312 0.848 23 HA THR 4 HA THR 4 -15.990 2.000 -1.341 24 HB THR 4 HB THR 4 -17.633 2.710 -2.897 25 HG1 THR 4 HG1 THR 4 -18.785 4.395 -2.680 26 1HG2 THR 4 1HG2 THR 4 -19.806 1.937 -2.024 27 2HG2 THR 4 2HG2 THR 4 -18.524 0.860 -1.426 28 3HG2 THR 4 3HG2 THR 4 -19.252 2.073 -0.341 29 H ASP 5 H ASP 5 -15.135 4.411 0.517 30 HA ASP 5 HA ASP 5 -13.492 5.804 -1.539 31 1HB ASP 5 1HB ASP 5 -14.328 8.171 -0.730 32 2HB ASP 5 2HB ASP 5 -15.133 7.333 -2.037 33 H GLN 6 H GLN 6 -13.226 4.168 0.845 34 HA GLN 6 HA GLN 6 -12.156 5.676 3.143 35 1HB GLN 6 1HB GLN 6 -11.309 3.630 3.966 36 2HB GLN 6 2HB GLN 6 -12.770 3.192 3.100 37 1HG GLN 6 1HG GLN 6 -11.169 2.660 1.055 38 2HG GLN 6 2HG GLN 6 -9.871 2.706 2.230 39 1HE2 GLN 6 1HE2 GLN 6 -12.222 -0.620 1.975 40 2HE2 GLN 6 2HE2 GLN 6 -12.263 0.784 0.795 41 H GLN 7 H GLN 7 -10.883 4.661 0.021 42 HA GLN 7 HA GLN 7 -8.056 4.823 0.279 43 1HB GLN 7 1HB GLN 7 -8.230 5.946 -2.177 44 2HB GLN 7 2HB GLN 7 -8.486 4.238 -1.865 45 1HG GLN 7 1HG GLN 7 -10.677 4.293 -2.496 46 2HG GLN 7 2HG GLN 7 -11.029 5.742 -1.578 47 1HE2 GLN 7 1HE2 GLN 7 -10.037 6.062 -5.595 48 2HE2 GLN 7 2HE2 GLN 7 -9.587 4.567 -4.631 49 H ALA 8 H ALA 8 -10.178 7.554 -0.689 50 HA ALA 8 HA ALA 8 -8.124 9.634 -0.625 51 1HB ALA 8 1HB ALA 8 -10.472 9.655 -1.769 52 2HB ALA 8 2HB ALA 8 -11.098 10.219 -0.208 53 3HB ALA 8 3HB ALA 8 -9.879 11.184 -1.078 54 H GLU 9 H GLU 9 -10.302 8.299 1.799 55 HA GLU 9 HA GLU 9 -10.241 10.386 3.823 56 1HB GLU 9 1HB GLU 9 -11.030 7.502 3.789 57 2HB GLU 9 2HB GLU 9 -10.535 8.101 5.360 58 1HG GLU 9 1HG GLU 9 -13.094 8.232 4.562 59 2HG GLU 9 2HG GLU 9 -12.587 9.698 3.740 60 H ALA 10 H ALA 10 -8.055 7.716 3.077 61 HA ALA 10 HA ALA 10 -6.443 7.706 5.532 62 1HB ALA 10 1HB ALA 10 -4.812 6.357 4.222 63 2HB ALA 10 2HB ALA 10 -6.470 5.774 3.982 64 3HB ALA 10 3HB ALA 10 -5.670 6.730 2.708 65 NH1 ARG 11 NH1 ARG 11 -7.065 12.708 -3.245 66 NH2 ARG 11 NH2 ARG 11 -4.831 13.016 -3.526 67 H ARG 11 H ARG 11 -6.283 9.497 2.497 68 HA ARG 11 HA ARG 11 -3.561 10.649 2.770 69 1HB ARG 11 1HB ARG 11 -5.212 10.474 0.642 70 2HB ARG 11 2HB ARG 11 -3.926 11.665 0.772 71 1HG ARG 11 1HG ARG 11 -6.659 12.463 1.841 72 2HG ARG 11 2HG ARG 11 -5.383 13.479 1.167 73 1HD ARG 11 1HD ARG 11 -7.308 11.640 -0.383 74 2HD ARG 11 2HD ARG 11 -7.191 13.395 -0.483 75 HE ARG 11 HE ARG 11 -4.676 11.951 -1.288 76 1HH1 ARG 11 1HH1 ARG 11 -7.140 12.920 -4.246 77 2HH1 ARG 11 2HH1 ARG 11 -7.836 12.493 -2.603 78 1HH2 ARG 11 1HH2 ARG 11 -3.896 13.019 -3.103 79 2HH2 ARG 11 2HH2 ARG 11 -5.065 13.222 -4.503 80 H ALA 12 H ALA 12 -6.829 11.592 3.718 81 HA ALA 12 HA ALA 12 -6.502 14.315 4.561 82 1HB ALA 12 1HB ALA 12 -8.404 13.949 6.120 83 2HB ALA 12 2HB ALA 12 -8.711 13.195 4.543 84 3HB ALA 12 3HB ALA 12 -8.255 12.184 5.938 85 H PHE 13 H PHE 13 -5.515 11.317 6.136 86 HA PHE 13 HA PHE 13 -4.638 12.752 8.666 87 1HB PHE 13 1HB PHE 13 -4.622 9.722 8.153 88 2HB PHE 13 2HB PHE 13 -6.051 10.573 8.678 89 HD1 PHE 13 HD1 PHE 13 -5.562 12.200 10.892 90 HD2 PHE 13 HD2 PHE 13 -3.226 8.754 9.799 91 HE1 PHE 13 HE1 PHE 13 -4.905 11.885 13.243 92 HE2 PHE 13 HE2 PHE 13 -2.528 8.497 12.143 93 HZ PHE 13 HZ PHE 13 -3.363 10.057 13.868 94 H LEU 14 H LEU 14 -3.275 13.209 6.196 95 HA LEU 14 HA LEU 14 -0.443 12.626 7.025 96 1HB LEU 14 1HB LEU 14 -1.258 11.735 4.207 97 2HB LEU 14 2HB LEU 14 0.299 11.545 4.985 98 HG LEU 14 HG LEU 14 -2.215 10.147 6.072 99 1HD1 LEU 14 1HD1 LEU 14 0.761 9.403 6.393 100 2HD1 LEU 14 2HD1 LEU 14 -0.174 10.313 7.594 101 3HD1 LEU 14 3HD1 LEU 14 -0.628 8.635 7.204 102 1HD2 LEU 14 1HD2 LEU 14 -1.668 8.133 4.770 103 2HD2 LEU 14 2HD2 LEU 14 -1.797 9.488 3.621 104 3HD2 LEU 14 3HD2 LEU 14 -0.201 8.892 4.100 105 H SER 15 H SER 15 0.817 14.273 6.479 106 HA SER 15 HA SER 15 -0.234 16.803 5.474 107 1HB SER 15 1HB SER 15 2.436 17.252 5.279 108 2HB SER 15 2HB SER 15 2.496 15.790 6.267 109 HG SER 15 HG SER 15 2.273 17.412 7.657 110 H GLU 16 H GLU 16 1.017 17.981 3.655 111 HA GLU 16 HA GLU 16 0.476 16.535 1.088 112 1HB GLU 16 1HB GLU 16 -0.114 18.998 1.605 113 2HB GLU 16 2HB GLU 16 1.580 19.374 1.362 114 1HG GLU 16 1HG GLU 16 1.490 18.677 -1.004 115 2HG GLU 16 2HG GLU 16 -0.104 17.969 -0.804 116 H GLU 17 H GLU 17 3.246 17.966 2.774 117 HA GLU 17 HA GLU 17 5.238 17.297 0.636 118 1HB GLU 17 1HB GLU 17 5.973 19.196 1.675 119 2HB GLU 17 2HB GLU 17 5.351 18.751 3.252 120 1HG GLU 17 1HG GLU 17 7.285 17.206 3.633 121 2HG GLU 17 2HG GLU 17 7.872 17.483 2.002 122 H MET 18 H MET 18 4.132 15.968 3.704 123 HA MET 18 HA MET 18 6.080 13.874 4.184 124 1HB MET 18 1HB MET 18 4.584 14.184 5.969 125 2HB MET 18 2HB MET 18 3.162 14.211 4.942 126 1HG MET 18 1HG MET 18 4.705 11.584 5.115 127 2HG MET 18 2HG MET 18 2.974 11.858 4.858 128 1HE MET 18 1HE MET 18 4.283 10.080 8.436 129 2HE MET 18 2HE MET 18 2.971 9.683 7.287 130 3HE MET 18 3HE MET 18 4.639 9.920 6.687 131 H ILE 19 H ILE 19 3.311 14.085 2.013 132 HA ILE 19 HA ILE 19 3.085 11.317 1.137 133 HB ILE 19 HB ILE 19 2.476 13.812 -0.533 134 1HG1 ILE 19 1HG1 ILE 19 1.147 12.916 1.863 135 2HG1 ILE 19 2HG1 ILE 19 0.651 14.186 0.765 136 1HG2 ILE 19 1HG2 ILE 19 0.980 12.326 -1.886 137 2HG2 ILE 19 2HG2 ILE 19 2.643 11.745 -1.956 138 3HG2 ILE 19 3HG2 ILE 19 1.465 10.914 -0.915 139 1HD1 ILE 19 1HD1 ILE 19 -0.246 11.254 0.529 140 2HD1 ILE 19 2HD1 ILE 19 -1.216 12.653 1.035 141 3HD1 ILE 19 3HD1 ILE 19 -0.643 12.538 -0.646 142 H ALA 20 H ALA 20 5.108 14.025 0.034 143 HA ALA 20 HA ALA 20 6.300 13.009 -2.338 144 1HB ALA 20 1HB ALA 20 6.623 15.313 -1.102 145 2HB ALA 20 2HB ALA 20 8.025 14.541 -0.337 146 3HB ALA 20 3HB ALA 20 7.952 14.694 -2.110 147 H GLU 21 H GLU 21 7.030 12.232 1.028 148 HA GLU 21 HA GLU 21 9.579 10.801 0.563 149 1HB GLU 21 1HB GLU 21 7.727 10.735 3.004 150 2HB GLU 21 2HB GLU 21 9.035 11.869 2.735 151 1HG GLU 21 1HG GLU 21 10.677 9.873 2.737 152 2HG GLU 21 2HG GLU 21 9.330 8.828 3.158 153 H PHE 22 H PHE 22 6.189 9.847 1.009 154 HA PHE 22 HA PHE 22 6.502 6.939 1.091 155 1HB PHE 22 1HB PHE 22 4.123 8.677 0.226 156 2HB PHE 22 2HB PHE 22 4.042 6.935 0.224 157 HD1 PHE 22 HD1 PHE 22 2.056 7.665 1.880 158 HD2 PHE 22 HD2 PHE 22 6.227 7.964 2.901 159 HE1 PHE 22 HE1 PHE 22 1.474 7.785 4.266 160 HE2 PHE 22 HE2 PHE 22 5.622 8.116 5.282 161 HZ PHE 22 HZ PHE 22 3.252 7.993 5.971 162 H LYS 23 H LYS 23 6.310 9.305 -1.505 163 HA LYS 23 HA LYS 23 5.849 7.531 -3.787 164 1HB LYS 23 1HB LYS 23 7.047 9.503 -5.103 165 2HB LYS 23 2HB LYS 23 7.014 10.354 -3.573 166 1HG LYS 23 1HG LYS 23 4.500 9.198 -4.919 167 2HG LYS 23 2HG LYS 23 4.529 10.225 -3.499 168 1HD LYS 23 1HD LYS 23 5.854 11.405 -5.957 169 2HD LYS 23 2HD LYS 23 4.894 12.175 -4.705 170 1HE LYS 23 1HE LYS 23 2.831 10.859 -5.744 171 2HE LYS 23 2HE LYS 23 3.408 12.332 -6.525 172 1HZ LYS 23 1HZ LYS 23 3.675 9.545 -7.407 173 2HZ LYS 23 2HZ LYS 23 3.333 10.900 -8.289 174 3HZ LYS 23 3HZ LYS 23 4.888 10.584 -7.829 175 H ALA 24 H ALA 24 8.827 8.893 -2.361 176 HA ALA 24 HA ALA 24 10.745 7.808 -4.287 177 1HB ALA 24 1HB ALA 24 12.480 8.391 -2.602 178 2HB ALA 24 2HB ALA 24 11.309 9.709 -2.797 179 3HB ALA 24 3HB ALA 24 11.232 8.656 -1.361 180 H ALA 25 H ALA 25 9.299 6.541 -1.331 181 HA ALA 25 HA ALA 25 11.163 4.247 -0.972 182 1HB ALA 25 1HB ALA 25 9.617 3.555 0.852 183 2HB ALA 25 2HB ALA 25 10.032 5.275 0.980 184 3HB ALA 25 3HB ALA 25 8.433 4.790 0.361 185 H PHE 26 H PHE 26 8.022 4.794 -2.470 186 HA PHE 26 HA PHE 26 7.223 1.966 -2.826 187 1HB PHE 26 1HB PHE 26 5.662 4.017 -2.797 188 2HB PHE 26 2HB PHE 26 6.193 4.390 -4.416 189 HD1 PHE 26 HD1 PHE 26 3.590 4.147 -4.797 190 HD2 PHE 26 HD2 PHE 26 6.094 0.788 -3.819 191 HE1 PHE 26 HE1 PHE 26 1.934 2.612 -5.779 192 HE2 PHE 26 HE2 PHE 26 4.422 -0.731 -4.798 193 HZ PHE 26 HZ PHE 26 2.342 0.175 -5.774 194 H ASP 27 H ASP 27 8.889 4.415 -4.766 195 HA ASP 27 HA ASP 27 8.986 2.969 -7.324 196 1HB ASP 27 1HB ASP 27 9.332 5.445 -7.153 197 2HB ASP 27 2HB ASP 27 10.516 4.612 -8.133 198 H MET 28 H MET 28 10.890 2.863 -4.397 199 HA MET 28 HA MET 28 13.379 1.712 -5.352 200 1HB MET 28 1HB MET 28 13.491 0.615 -2.959 201 2HB MET 28 2HB MET 28 12.006 1.491 -2.633 202 1HG MET 28 1HG MET 28 14.558 2.915 -3.615 203 2HG MET 28 2HG MET 28 13.093 3.669 -2.965 204 1HE MET 28 1HE MET 28 14.908 4.985 -1.002 205 2HE MET 28 2HE MET 28 16.192 3.950 -0.310 206 3HE MET 28 3HE MET 28 16.067 4.149 -2.082 207 H PHE 29 H PHE 29 10.284 0.228 -4.467 208 HA PHE 29 HA PHE 29 11.297 -2.540 -5.351 209 1HB PHE 29 1HB PHE 29 9.710 -3.606 -3.874 210 2HB PHE 29 2HB PHE 29 8.824 -2.132 -3.599 211 HD1 PHE 29 HD1 PHE 29 12.424 -3.275 -3.094 212 HD2 PHE 29 HD2 PHE 29 9.063 -1.109 -1.499 213 HE1 PHE 29 HE1 PHE 29 13.640 -2.917 -0.983 214 HE2 PHE 29 HE2 PHE 29 10.305 -0.747 0.594 215 HZ PHE 29 HZ PHE 29 12.588 -1.649 0.858 216 H ASP 30 H ASP 30 10.424 -0.434 -7.085 217 HA ASP 30 HA ASP 30 8.200 -1.808 -8.576 218 1HB ASP 30 1HB ASP 30 6.829 -0.447 -7.080 219 2HB ASP 30 2HB ASP 30 7.758 0.994 -7.419 220 H ALA 31 H ALA 31 10.482 -1.918 -9.576 221 HA ALA 31 HA ALA 31 11.361 0.436 -11.222 222 1HB ALA 31 1HB ALA 31 13.086 -1.130 -12.124 223 2HB ALA 31 2HB ALA 31 13.055 -1.137 -10.350 224 3HB ALA 31 3HB ALA 31 12.341 -2.495 -11.259 225 H ASP 32 H ASP 32 9.330 0.799 -12.272 226 HA ASP 32 HA ASP 32 9.072 -0.585 -14.913 227 1HB ASP 32 1HB ASP 32 6.443 -0.845 -14.487 228 2HB ASP 32 2HB ASP 32 6.912 -0.982 -12.808 229 H GLY 33 H GLY 33 6.549 1.154 -13.126 230 1HA GLY 33 1HA GLY 33 6.425 3.282 -15.274 231 2HA GLY 33 2HA GLY 33 6.854 3.892 -13.674 232 H GLY 34 H GLY 34 4.668 1.186 -14.393 233 1HA GLY 34 1HA GLY 34 2.070 2.352 -14.456 234 2HA GLY 34 2HA GLY 34 2.385 0.773 -13.731 235 H GLY 35 H GLY 35 3.223 0.771 -11.486 236 1HA GLY 35 1HA GLY 35 3.420 2.308 -9.315 237 2HA GLY 35 2HA GLY 35 1.834 2.919 -9.798 238 H ASP 36 H ASP 36 3.476 -0.195 -9.232 239 HA ASP 36 HA ASP 36 1.443 -1.080 -7.231 240 1HB ASP 36 1HB ASP 36 0.791 -3.212 -8.418 241 2HB ASP 36 2HB ASP 36 0.085 -1.748 -9.063 242 H ILE 37 H ILE 37 2.100 -2.991 -6.148 243 HA ILE 37 HA ILE 37 4.841 -4.182 -6.705 244 HB ILE 37 HB ILE 37 5.632 -3.822 -4.371 245 1HG1 ILE 37 1HG1 ILE 37 3.124 -2.080 -4.125 246 2HG1 ILE 37 2HG1 ILE 37 4.578 -1.584 -3.285 247 1HG2 ILE 37 1HG2 ILE 37 6.517 -1.520 -4.767 248 2HG2 ILE 37 2HG2 ILE 37 6.491 -2.432 -6.283 249 3HG2 ILE 37 3HG2 ILE 37 5.246 -1.199 -5.971 250 1HD1 ILE 37 1HD1 ILE 37 4.673 -3.671 -1.958 251 2HD1 ILE 37 2HD1 ILE 37 3.079 -2.901 -1.801 252 3HD1 ILE 37 3HD1 ILE 37 3.271 -4.329 -2.844 253 H SER 38 H SER 38 5.069 -6.203 -5.764 254 HA SER 38 HA SER 38 2.800 -7.964 -5.440 255 1HB SER 38 1HB SER 38 5.237 -8.705 -3.861 256 2HB SER 38 2HB SER 38 5.528 -8.334 -5.562 257 HG SER 38 HG SER 38 3.273 -9.826 -5.181 258 H THR 39 H THR 39 1.782 -8.802 -3.641 259 HA THR 39 HA THR 39 1.330 -6.933 -1.354 260 HB THR 39 HB THR 39 -0.388 -8.559 -2.611 261 HG1 THR 39 HG1 THR 39 -0.734 -6.948 -1.004 262 1HG2 THR 39 1HG2 THR 39 -1.079 -10.487 -1.255 263 2HG2 THR 39 2HG2 THR 39 0.605 -10.733 -1.774 264 3HG2 THR 39 3HG2 THR 39 0.250 -10.230 -0.100 265 H LYS 40 H LYS 40 3.037 -9.946 -1.964 266 HA LYS 40 HA LYS 40 3.588 -10.761 0.800 267 1HB LYS 40 1HB LYS 40 4.063 -11.889 -1.700 268 2HB LYS 40 2HB LYS 40 4.585 -12.544 -0.163 269 1HG LYS 40 1HG LYS 40 6.225 -12.019 -2.320 270 2HG LYS 40 2HG LYS 40 6.450 -10.527 -1.430 271 1HD LYS 40 1HD LYS 40 8.082 -11.623 -0.251 272 2HD LYS 40 2HD LYS 40 6.766 -12.411 0.604 273 1HE LYS 40 1HE LYS 40 8.207 -14.199 -0.095 274 2HE LYS 40 2HE LYS 40 8.402 -13.558 -1.728 275 1HZ LYS 40 1HZ LYS 40 5.685 -13.968 -1.451 276 2HZ LYS 40 2HZ LYS 40 6.743 -14.937 -2.270 277 3HZ LYS 40 3HZ LYS 40 6.361 -15.273 -0.698 278 H GLU 41 H GLU 41 5.119 -8.541 -1.465 279 HA GLU 41 HA GLU 41 7.582 -8.109 0.205 280 1HB GLU 41 1HB GLU 41 6.657 -6.871 -2.434 281 2HB GLU 41 2HB GLU 41 8.090 -6.321 -1.589 282 1HG GLU 41 1HG GLU 41 8.311 -8.114 -3.529 283 2HG GLU 41 2HG GLU 41 7.771 -9.285 -2.337 284 H LEU 42 H LEU 42 4.532 -6.503 -0.525 285 HA LEU 42 HA LEU 42 4.706 -3.874 0.304 286 1HB LEU 42 1HB LEU 42 2.507 -4.143 -0.082 287 2HB LEU 42 2HB LEU 42 2.572 -5.861 0.252 288 HG LEU 42 HG LEU 42 2.364 -3.771 2.503 289 1HD1 LEU 42 1HD1 LEU 42 -0.108 -4.210 2.538 290 2HD1 LEU 42 2HD1 LEU 42 0.390 -3.459 1.014 291 3HD1 LEU 42 3HD1 LEU 42 0.033 -5.204 1.065 292 1HD2 LEU 42 1HD2 LEU 42 1.695 -6.792 2.482 293 2HD2 LEU 42 2HD2 LEU 42 3.112 -6.040 3.255 294 3HD2 LEU 42 3HD2 LEU 42 1.485 -5.682 3.861 295 H GLY 43 H GLY 43 4.681 -6.711 2.425 296 1HA GLY 43 1HA GLY 43 4.715 -5.523 5.087 297 2HA GLY 43 2HA GLY 43 5.502 -7.048 4.663 298 H THR 44 H THR 44 7.572 -6.807 3.375 299 HA THR 44 HA THR 44 9.703 -5.766 4.778 300 HB THR 44 HB THR 44 9.459 -6.146 1.775 301 HG1 THR 44 HG1 THR 44 10.842 -7.850 2.299 302 1HG2 THR 44 1HG2 THR 44 11.945 -5.981 1.568 303 2HG2 THR 44 2HG2 THR 44 11.230 -4.408 1.979 304 3HG2 THR 44 3HG2 THR 44 12.057 -5.365 3.235 305 H VAL 45 H VAL 45 7.682 -3.978 2.509 306 HA VAL 45 HA VAL 45 9.278 -1.589 2.097 307 HB VAL 45 HB VAL 45 6.226 -1.828 2.047 308 1HG1 VAL 45 1HG1 VAL 45 8.166 -1.840 -0.349 309 2HG1 VAL 45 2HG1 VAL 45 7.512 -3.312 0.378 310 3HG1 VAL 45 3HG1 VAL 45 6.407 -2.136 -0.368 311 1HG2 VAL 45 1HG2 VAL 45 6.118 0.251 0.772 312 2HG2 VAL 45 2HG2 VAL 45 7.053 0.614 2.242 313 3HG2 VAL 45 3HG2 VAL 45 7.894 0.391 0.701 314 H MET 46 H MET 46 6.598 -2.175 4.408 315 HA MET 46 HA MET 46 6.618 0.321 5.824 316 1HB MET 46 1HB MET 46 5.400 -0.745 7.627 317 2HB MET 46 2HB MET 46 6.032 -2.333 7.233 318 1HG MET 46 1HG MET 46 3.746 -0.831 5.966 319 2HG MET 46 2HG MET 46 4.755 -1.753 4.840 320 1HE MET 46 1HE MET 46 3.359 -1.788 8.385 321 2HE MET 46 2HE MET 46 2.442 -3.317 8.513 322 3HE MET 46 3HE MET 46 4.206 -3.311 8.799 323 NH1 ARG 47 NH1 ARG 47 9.087 -8.730 8.036 324 NH2 ARG 47 NH2 ARG 47 11.104 -9.187 8.975 325 H ARG 47 H ARG 47 8.661 -2.529 6.179 326 HA ARG 47 HA ARG 47 9.928 -1.863 8.764 327 1HB ARG 47 1HB ARG 47 10.638 -3.811 6.511 328 2HB ARG 47 2HB ARG 47 11.785 -3.494 7.806 329 1HG ARG 47 1HG ARG 47 8.988 -4.125 8.740 330 2HG ARG 47 2HG ARG 47 10.542 -4.584 9.438 331 1HD ARG 47 1HD ARG 47 10.428 -5.916 6.875 332 2HD ARG 47 2HD ARG 47 8.830 -6.120 7.588 333 HE ARG 47 HE ARG 47 11.006 -6.726 9.538 334 1HH1 ARG 47 1HH1 ARG 47 10.819 -10.171 8.918 335 2HH1 ARG 47 2HH1 ARG 47 12.000 -8.824 9.319 336 1HH2 ARG 47 1HH2 ARG 47 8.459 -8.025 7.634 337 2HH2 ARG 47 2HH2 ARG 47 8.928 -9.744 8.074 338 H MET 48 H MET 48 10.776 -1.300 5.361 339 HA MET 48 HA MET 48 13.344 0.124 6.024 340 1HB MET 48 1HB MET 48 13.142 0.589 3.367 341 2HB MET 48 2HB MET 48 11.973 -0.718 3.448 342 1HG MET 48 1HG MET 48 14.650 -1.236 4.794 343 2HG MET 48 2HG MET 48 13.584 -2.354 3.928 344 1HE MET 48 1HE MET 48 16.736 -2.720 2.783 345 2HE MET 48 2HE MET 48 15.130 -3.501 2.694 346 3HE MET 48 3HE MET 48 15.943 -2.966 1.195 347 H LEU 49 H LEU 49 10.345 1.077 6.569 348 HA LEU 49 HA LEU 49 10.718 3.961 5.603 349 1HB LEU 49 1HB LEU 49 8.230 2.417 6.528 350 2HB LEU 49 2HB LEU 49 8.253 4.165 6.439 351 HG LEU 49 HG LEU 49 8.300 2.115 4.185 352 1HD1 LEU 49 1HD1 LEU 49 6.568 3.621 3.197 353 2HD1 LEU 49 2HD1 LEU 49 6.126 3.164 4.852 354 3HD1 LEU 49 3HD1 LEU 49 6.782 4.788 4.527 355 1HD2 LEU 49 1HD2 LEU 49 9.373 4.994 3.823 356 2HD2 LEU 49 2HD2 LEU 49 10.312 3.492 3.639 357 3HD2 LEU 49 3HD2 LEU 49 8.999 3.851 2.508 358 H GLY 50 H GLY 50 10.258 1.808 8.361 359 1HA GLY 50 1HA GLY 50 11.959 2.701 10.301 360 2HA GLY 50 2HA GLY 50 10.835 4.063 10.337 361 H GLN 51 H GLN 51 10.211 0.585 9.903 362 HA GLN 51 HA GLN 51 8.387 0.574 12.379 363 1HB GLN 51 1HB GLN 51 7.313 0.669 9.881 364 2HB GLN 51 2HB GLN 51 7.608 -1.059 9.952 365 1HG GLN 51 1HG GLN 51 5.272 -0.248 10.685 366 2HG GLN 51 2HG GLN 51 6.058 -1.428 11.712 367 1HE2 GLN 51 1HE2 GLN 51 5.410 2.416 13.150 368 2HE2 GLN 51 2HE2 GLN 51 5.134 1.972 11.391 369 H ASN 52 H ASN 52 8.051 -1.558 13.246 370 HA ASN 52 HA ASN 52 10.134 -3.650 12.489 371 1HB ASN 52 1HB ASN 52 10.410 -2.044 14.694 372 2HB ASN 52 2HB ASN 52 9.519 -3.358 15.431 373 1HD2 ASN 52 1HD2 ASN 52 12.363 -5.674 14.948 374 2HD2 ASN 52 2HD2 ASN 52 10.540 -5.578 15.135 375 HA PRO 53 HA PRO 53 5.680 -5.459 13.351 376 1HB PRO 53 1HB PRO 53 4.875 -6.230 10.834 377 2HB PRO 53 2HB PRO 53 4.687 -4.587 11.467 378 1HG PRO 53 1HG PRO 53 5.888 -4.087 9.507 379 2HG PRO 53 2HG PRO 53 6.850 -5.583 9.533 380 1HD PRO 53 1HD PRO 53 7.263 -2.971 11.028 381 2HD PRO 53 2HD PRO 53 8.477 -4.203 10.567 382 H THR 54 H THR 54 4.962 -7.773 12.777 383 HA THR 54 HA THR 54 7.348 -9.645 13.026 384 HB THR 54 HB THR 54 4.533 -10.659 13.425 385 HG1 THR 54 HG1 THR 54 5.921 -9.382 15.498 386 1HG2 THR 54 1HG2 THR 54 5.569 -12.023 15.210 387 2HG2 THR 54 2HG2 THR 54 6.458 -12.254 13.687 388 3HG2 THR 54 3HG2 THR 54 7.141 -11.223 14.971 389 H LYS 55 H LYS 55 6.899 -11.868 12.011 390 HA LYS 55 HA LYS 55 6.426 -11.513 9.058 391 1HB LYS 55 1HB LYS 55 7.207 -14.100 10.523 392 2HB LYS 55 2HB LYS 55 7.317 -13.797 8.802 393 1HG LYS 55 1HG LYS 55 9.103 -12.086 9.189 394 2HG LYS 55 2HG LYS 55 8.940 -12.265 10.925 395 1HD LYS 55 1HD LYS 55 10.272 -14.125 8.920 396 2HD LYS 55 2HD LYS 55 10.836 -13.555 10.483 397 1HE LYS 55 1HE LYS 55 10.344 -15.656 11.235 398 2HE LYS 55 2HE LYS 55 8.676 -15.088 11.329 399 1HZ LYS 55 1HZ LYS 55 8.437 -16.943 10.037 400 2HZ LYS 55 2HZ LYS 55 8.693 -15.867 8.809 401 3HZ LYS 55 3HZ LYS 55 9.926 -16.836 9.329 402 H GLU 56 H GLU 56 5.097 -13.358 11.792 403 HA GLU 56 HA GLU 56 3.080 -14.881 10.296 404 1HB GLU 56 1HB GLU 56 4.054 -15.354 12.665 405 2HB GLU 56 2HB GLU 56 2.860 -14.223 13.270 406 1HG GLU 56 1HG GLU 56 2.449 -16.995 12.083 407 2HG GLU 56 2HG GLU 56 1.161 -15.827 11.840 408 H GLU 57 H GLU 57 3.126 -11.740 11.888 409 HA GLU 57 HA GLU 57 0.213 -11.155 11.727 410 1HB GLU 57 1HB GLU 57 1.448 -9.990 13.416 411 2HB GLU 57 2HB GLU 57 0.819 -8.816 12.277 412 1HG GLU 57 1HG GLU 57 3.680 -9.768 11.836 413 2HG GLU 57 2HG GLU 57 3.375 -8.757 13.238 414 H LEU 58 H LEU 58 3.063 -10.670 9.708 415 HA LEU 58 HA LEU 58 1.984 -8.901 7.662 416 1HB LEU 58 1HB LEU 58 4.457 -9.857 8.080 417 2HB LEU 58 2HB LEU 58 3.970 -11.100 6.947 418 HG LEU 58 HG LEU 58 4.393 -8.121 6.452 419 1HD1 LEU 58 1HD1 LEU 58 5.694 -8.978 4.476 420 2HD1 LEU 58 2HD1 LEU 58 6.294 -9.666 5.992 421 3HD1 LEU 58 3HD1 LEU 58 5.277 -10.654 4.915 422 1HD2 LEU 58 1HD2 LEU 58 2.707 -9.914 4.578 423 2HD2 LEU 58 2HD2 LEU 58 2.100 -8.529 5.520 424 3HD2 LEU 58 3HD2 LEU 58 3.276 -8.264 4.220 425 H ASP 59 H ASP 59 1.804 -12.383 8.167 426 HA ASP 59 HA ASP 59 0.624 -13.122 5.572 427 1HB ASP 59 1HB ASP 59 1.079 -14.578 8.176 428 2HB ASP 59 2HB ASP 59 1.607 -14.970 6.556 429 H ALA 60 H ALA 60 -0.659 -12.092 8.683 430 HA ALA 60 HA ALA 60 -3.479 -12.801 8.286 431 1HB ALA 60 1HB ALA 60 -3.924 -11.306 10.227 432 2HB ALA 60 2HB ALA 60 -2.547 -12.379 10.539 433 3HB ALA 60 3HB ALA 60 -2.267 -10.662 10.152 434 H ILE 61 H ILE 61 -1.796 -9.641 8.082 435 HA ILE 61 HA ILE 61 -3.837 -7.931 7.170 436 HB ILE 61 HB ILE 61 -0.876 -7.861 6.444 437 1HG1 ILE 61 1HG1 ILE 61 -2.580 -6.256 8.459 438 2HG1 ILE 61 2HG1 ILE 61 -1.310 -7.401 8.834 439 1HG2 ILE 61 1HG2 ILE 61 -1.201 -5.537 5.557 440 2HG2 ILE 61 2HG2 ILE 61 -2.105 -6.703 4.593 441 3HG2 ILE 61 3HG2 ILE 61 -2.963 -5.683 5.771 442 1HD1 ILE 61 1HD1 ILE 61 -0.831 -4.670 7.504 443 2HD1 ILE 61 2HD1 ILE 61 -0.428 -5.158 9.164 444 3HD1 ILE 61 3HD1 ILE 61 0.431 -5.899 7.793 445 H ILE 62 H ILE 62 -1.952 -10.352 5.440 446 HA ILE 62 HA ILE 62 -2.683 -9.656 2.667 447 HB ILE 62 HB ILE 62 -1.439 -12.087 3.964 448 1HG1 ILE 62 1HG1 ILE 62 0.511 -11.324 3.042 449 2HG1 ILE 62 2HG1 ILE 62 -0.203 -11.152 1.453 450 1HG2 ILE 62 1HG2 ILE 62 -1.445 -13.366 1.807 451 2HG2 ILE 62 2HG2 ILE 62 -3.094 -13.114 2.375 452 3HG2 ILE 62 3HG2 ILE 62 -2.461 -12.117 1.046 453 1HD1 ILE 62 1HD1 ILE 62 -0.302 -8.984 3.633 454 2HD1 ILE 62 2HD1 ILE 62 0.651 -8.981 2.134 455 3HD1 ILE 62 3HD1 ILE 62 -1.123 -8.878 2.051 456 H GLU 63 H GLU 63 -3.930 -12.045 5.011 457 HA GLU 63 HA GLU 63 -6.049 -13.245 3.525 458 1HB GLU 63 1HB GLU 63 -5.750 -12.703 6.499 459 2HB GLU 63 2HB GLU 63 -5.591 -14.212 5.622 460 1HG GLU 63 1HG GLU 63 -8.337 -12.871 5.664 461 2HG GLU 63 2HG GLU 63 -7.761 -13.630 7.138 462 H GLU 64 H GLU 64 -6.119 -10.248 5.453 463 HA GLU 64 HA GLU 64 -8.945 -9.594 5.088 464 1HB GLU 64 1HB GLU 64 -6.930 -8.569 6.662 465 2HB GLU 64 2HB GLU 64 -7.063 -7.290 5.472 466 1HG GLU 64 1HG GLU 64 -8.518 -6.641 7.263 467 2HG GLU 64 2HG GLU 64 -9.170 -8.258 7.470 468 H VAL 65 H VAL 65 -6.025 -8.893 3.241 469 HA VAL 65 HA VAL 65 -7.567 -7.221 1.206 470 HB VAL 65 HB VAL 65 -4.532 -7.547 1.260 471 1HG1 VAL 65 1HG1 VAL 65 -4.539 -5.411 -0.042 472 2HG1 VAL 65 2HG1 VAL 65 -5.478 -6.662 -0.878 473 3HG1 VAL 65 3HG1 VAL 65 -6.319 -5.359 -0.004 474 1HG2 VAL 65 1HG2 VAL 65 -6.134 -5.326 2.706 475 2HG2 VAL 65 2HG2 VAL 65 -5.139 -6.581 3.483 476 3HG2 VAL 65 3HG2 VAL 65 -4.370 -5.352 2.470 477 H ASP 66 H ASP 66 -7.973 -10.036 1.496 478 HA ASP 66 HA ASP 66 -7.486 -10.854 -1.368 479 1HB ASP 66 1HB ASP 66 -6.763 -12.964 0.710 480 2HB ASP 66 2HB ASP 66 -5.563 -11.791 0.219 481 H GLU 67 H GLU 67 -9.703 -9.953 0.158 482 HA GLU 67 HA GLU 67 -11.526 -12.301 0.681 483 1HB GLU 67 1HB GLU 67 -11.503 -9.926 1.885 484 2HB GLU 67 2HB GLU 67 -12.512 -9.430 0.541 485 1HG GLU 67 1HG GLU 67 -14.323 -10.868 1.181 486 2HG GLU 67 2HG GLU 67 -13.291 -11.937 2.116 487 H ASP 68 H ASP 68 -10.863 -9.870 -1.780 488 HA ASP 68 HA ASP 68 -12.637 -11.376 -3.761 489 1HB ASP 68 1HB ASP 68 -14.043 -9.564 -3.636 490 2HB ASP 68 2HB ASP 68 -12.803 -8.463 -3.083 491 H GLY 69 H GLY 69 -11.969 -10.917 -6.026 492 1HA GLY 69 1HA GLY 69 -10.297 -10.898 -7.783 493 2HA GLY 69 2HA GLY 69 -9.236 -11.641 -6.581 494 H SER 70 H SER 70 -7.726 -10.464 -5.544 495 HA SER 70 HA SER 70 -7.597 -7.440 -5.797 496 1HB SER 70 1HB SER 70 -5.499 -7.906 -4.209 497 2HB SER 70 2HB SER 70 -6.278 -9.471 -3.964 498 HG SER 70 HG SER 70 -7.778 -7.088 -3.830 499 H GLY 71 H GLY 71 -4.983 -9.865 -5.758 500 1HA GLY 71 1HA GLY 71 -4.034 -9.097 -8.554 501 2HA GLY 71 2HA GLY 71 -3.471 -10.491 -7.626 502 H THR 72 H THR 72 -3.442 -6.943 -7.643 503 HA THR 72 HA THR 72 -0.766 -6.922 -6.190 504 HB THR 72 HB THR 72 0.299 -5.446 -7.724 505 HG1 THR 72 HG1 THR 72 -0.670 -4.454 -9.299 506 1HG2 THR 72 1HG2 THR 72 -0.939 -7.837 -9.176 507 2HG2 THR 72 2HG2 THR 72 0.108 -6.691 -10.042 508 3HG2 THR 72 3HG2 THR 72 0.743 -7.606 -8.649 509 H ILE 73 H ILE 73 -0.289 -5.008 -5.084 510 HA ILE 73 HA ILE 73 -2.708 -3.327 -4.366 511 HB ILE 73 HB ILE 73 -1.625 -4.482 -2.482 512 1HG1 ILE 73 1HG1 ILE 73 -2.816 -2.069 -2.451 513 2HG1 ILE 73 2HG1 ILE 73 -1.234 -1.525 -1.922 514 1HG2 ILE 73 1HG2 ILE 73 0.545 -3.836 -1.503 515 2HG2 ILE 73 2HG2 ILE 73 0.808 -4.380 -3.166 516 3HG2 ILE 73 3HG2 ILE 73 0.835 -2.641 -2.788 517 1HD1 ILE 73 1HD1 ILE 73 -1.311 -2.736 0.143 518 2HD1 ILE 73 2HD1 ILE 73 -2.971 -2.144 -0.076 519 3HD1 ILE 73 3HD1 ILE 73 -2.585 -3.843 -0.437 520 H ASP 74 H ASP 74 -2.574 -1.063 -4.341 521 HA ASP 74 HA ASP 74 -0.460 0.141 -6.209 522 1HB ASP 74 1HB ASP 74 -1.959 1.367 -7.304 523 2HB ASP 74 2HB ASP 74 -2.753 1.870 -5.841 524 H PHE 75 H PHE 75 -0.905 2.777 -5.718 525 HA PHE 75 HA PHE 75 0.757 3.112 -3.265 526 1HB PHE 75 1HB PHE 75 1.325 4.252 -5.426 527 2HB PHE 75 2HB PHE 75 -0.133 5.206 -5.341 528 HD1 PHE 75 HD1 PHE 75 0.027 7.383 -4.348 529 HD2 PHE 75 HD2 PHE 75 2.941 4.416 -3.242 530 HE1 PHE 75 HE1 PHE 75 1.305 9.083 -3.109 531 HE2 PHE 75 HE2 PHE 75 4.152 6.112 -1.928 532 HZ PHE 75 HZ PHE 75 3.356 8.449 -1.884 533 H GLU 76 H GLU 76 -2.475 3.915 -4.411 534 HA GLU 76 HA GLU 76 -3.241 5.805 -2.284 535 1HB GLU 76 1HB GLU 76 -5.090 4.176 -4.105 536 2HB GLU 76 2HB GLU 76 -5.576 5.522 -3.096 537 1HG GLU 76 1HG GLU 76 -5.101 5.882 -5.694 538 2HG GLU 76 2HG GLU 76 -3.408 5.925 -5.230 539 H GLU 77 H GLU 77 -3.861 2.346 -2.853 540 HA GLU 77 HA GLU 77 -5.334 1.785 -0.347 541 1HB GLU 77 1HB GLU 77 -3.898 -0.062 -2.313 542 2HB GLU 77 2HB GLU 77 -4.636 -0.663 -0.842 543 1HG GLU 77 1HG GLU 77 -6.850 -0.263 -1.604 544 2HG GLU 77 2HG GLU 77 -6.373 1.037 -2.684 545 H PHE 78 H PHE 78 -1.955 1.865 -1.330 546 HA PHE 78 HA PHE 78 -0.683 0.527 0.896 547 1HB PHE 78 1HB PHE 78 0.710 0.946 -0.964 548 2HB PHE 78 2HB PHE 78 0.273 2.629 -1.088 549 HD1 PHE 78 HD1 PHE 78 2.705 3.238 -1.208 550 HD2 PHE 78 HD2 PHE 78 1.118 1.293 2.287 551 HE1 PHE 78 HE1 PHE 78 4.817 3.644 -0.008 552 HE2 PHE 78 HE2 PHE 78 3.183 1.834 3.513 553 HZ PHE 78 HZ PHE 78 5.040 2.994 2.366 554 H LEU 79 H LEU 79 -1.598 3.940 0.435 555 HA LEU 79 HA LEU 79 -0.654 4.975 3.030 556 1HB LEU 79 1HB LEU 79 -3.019 6.251 1.607 557 2HB LEU 79 2HB LEU 79 -1.720 7.009 2.503 558 HG LEU 79 HG LEU 79 -1.783 6.101 -0.392 559 1HD1 LEU 79 1HD1 LEU 79 0.893 6.377 1.121 560 2HD1 LEU 79 2HD1 LEU 79 0.187 4.830 0.619 561 3HD1 LEU 79 3HD1 LEU 79 0.675 6.021 -0.611 562 1HD2 LEU 79 1HD2 LEU 79 -0.756 8.291 -0.823 563 2HD2 LEU 79 2HD2 LEU 79 -2.086 8.552 0.333 564 3HD2 LEU 79 3HD2 LEU 79 -0.412 8.541 0.907 565 H VAL 80 H VAL 80 -3.577 3.380 1.910 566 HA VAL 80 HA VAL 80 -5.360 4.077 4.133 567 HB VAL 80 HB VAL 80 -5.518 1.813 2.090 568 1HG1 VAL 80 1HG1 VAL 80 -7.300 4.315 2.338 569 2HG1 VAL 80 2HG1 VAL 80 -5.869 4.249 1.301 570 3HG1 VAL 80 3HG1 VAL 80 -7.231 3.148 0.991 571 1HG2 VAL 80 1HG2 VAL 80 -7.809 1.302 2.796 572 2HG2 VAL 80 2HG2 VAL 80 -6.773 1.134 4.233 573 3HG2 VAL 80 3HG2 VAL 80 -7.783 2.574 4.041 574 H MET 81 H MET 81 -3.028 1.501 3.538 575 HA MET 81 HA MET 81 -3.783 -0.264 5.788 576 1HB MET 81 1HB MET 81 -2.298 -0.700 3.555 577 2HB MET 81 2HB MET 81 -2.262 -1.728 4.975 578 1HG MET 81 1HG MET 81 -0.224 -0.122 5.744 579 2HG MET 81 2HG MET 81 -0.153 0.250 4.014 580 1HE MET 81 1HE MET 81 0.962 -3.732 6.095 581 2HE MET 81 2HE MET 81 1.001 -2.076 6.769 582 3HE MET 81 3HE MET 81 -0.566 -2.899 6.520 583 H MET 82 H MET 82 -1.285 2.218 5.280 584 HA MET 82 HA MET 82 0.058 1.860 7.898 585 1HB MET 82 1HB MET 82 1.477 3.700 7.310 586 2HB MET 82 2HB MET 82 0.300 4.393 6.209 587 1HG MET 82 1HG MET 82 0.677 2.030 4.881 588 2HG MET 82 2HG MET 82 1.705 3.448 4.627 589 1HE MET 82 1HE MET 82 3.542 4.099 6.165 590 2HE MET 82 2HE MET 82 3.945 3.146 7.623 591 3HE MET 82 3HE MET 82 4.934 2.972 6.144 592 H VAL 83 H VAL 83 -2.600 3.798 6.689 593 HA VAL 83 HA VAL 83 -2.747 5.703 8.957 594 HB VAL 83 HB VAL 83 -4.668 5.071 6.678 595 1HG1 VAL 83 1HG1 VAL 83 -6.147 6.939 7.439 596 2HG1 VAL 83 2HG1 VAL 83 -6.128 5.633 8.632 597 3HG1 VAL 83 3HG1 VAL 83 -5.192 7.116 8.933 598 1HG2 VAL 83 1HG2 VAL 83 -3.105 7.650 7.363 599 2HG2 VAL 83 2HG2 VAL 83 -2.702 6.506 6.062 600 3HG2 VAL 83 3HG2 VAL 83 -4.208 7.431 5.980 601 NH1 ARG 84 NH1 ARG 84 -11.170 1.341 9.581 602 NH2 ARG 84 NH2 ARG 84 -11.297 2.582 7.682 603 H ARG 84 H ARG 84 -4.087 2.542 8.184 604 HA ARG 84 HA ARG 84 -6.075 2.402 10.404 605 1HB ARG 84 1HB ARG 84 -4.917 0.305 8.485 606 2HB ARG 84 2HB ARG 84 -5.959 -0.146 9.828 607 1HG ARG 84 1HG ARG 84 -6.811 1.916 7.711 608 2HG ARG 84 2HG ARG 84 -7.138 0.188 7.565 609 1HD ARG 84 1HD ARG 84 -8.743 0.170 9.288 610 2HD ARG 84 2HD ARG 84 -7.980 1.482 10.184 611 HE ARG 84 HE ARG 84 -8.878 2.950 8.062 612 1HH1 ARG 84 1HH1 ARG 84 -12.196 1.372 9.576 613 2HH1 ARG 84 2HH1 ARG 84 -10.573 0.861 10.263 614 1HH2 ARG 84 1HH2 ARG 84 -10.798 3.049 6.917 615 2HH2 ARG 84 2HH2 ARG 84 -12.313 2.524 7.808 616 H GLN 85 H GLN 85 -2.741 1.271 9.878 617 HA GLN 85 HA GLN 85 -2.567 -0.389 12.340 618 1HB GLN 85 1HB GLN 85 -1.174 -0.736 10.222 619 2HB GLN 85 2HB GLN 85 -0.257 0.700 10.640 620 1HG GLN 85 1HG GLN 85 -0.211 -2.034 11.940 621 2HG GLN 85 2HG GLN 85 0.051 -0.669 13.006 622 1HE2 GLN 85 1HE2 GLN 85 3.354 -1.883 11.454 623 2HE2 GLN 85 2HE2 GLN 85 1.916 -2.786 12.150 624 H MET 86 H MET 86 -1.204 2.759 11.352 625 HA MET 86 HA MET 86 0.341 3.477 13.629 626 1HB MET 86 1HB MET 86 -1.340 5.568 12.146 627 2HB MET 86 2HB MET 86 0.031 4.774 11.391 628 1HG MET 86 1HG MET 86 1.299 6.471 12.255 629 2HG MET 86 2HG MET 86 1.167 5.639 13.813 630 1HE MET 86 1HE MET 86 0.141 8.230 15.937 631 2HE MET 86 2HE MET 86 1.472 7.260 15.241 632 3HE MET 86 3HE MET 86 1.252 8.961 14.736 633 H LYS 87 H LYS 87 -3.149 3.906 13.111 634 HA LYS 87 HA LYS 87 -3.740 5.269 15.685 635 1HB LYS 87 1HB LYS 87 -5.230 5.383 13.622 636 2HB LYS 87 2HB LYS 87 -5.693 3.715 13.879 637 1HG LYS 87 1HG LYS 87 -7.089 4.213 15.671 638 2HG LYS 87 2HG LYS 87 -6.084 5.522 16.262 639 1HD LYS 87 1HD LYS 87 -6.938 6.871 14.128 640 2HD LYS 87 2HD LYS 87 -8.135 5.594 13.990 641 1HE LYS 87 1HE LYS 87 -9.383 7.064 15.273 642 2HE LYS 87 2HE LYS 87 -8.635 6.164 16.593 643 1HZ LYS 87 1HZ LYS 87 -8.020 8.218 17.248 644 2HZ LYS 87 2HZ LYS 87 -6.804 8.100 16.136 645 3HZ LYS 87 3HZ LYS 87 -8.196 8.905 15.755 646 H GLU 88 H GLU 88 -4.303 1.942 14.466 647 HA GLU 88 HA GLU 88 -4.520 -0.177 15.573 648 1HB GLU 88 1HB GLU 88 -2.876 -0.725 17.057 649 2HB GLU 88 2HB GLU 88 -2.179 0.729 16.369 650 1HG GLU 88 1HG GLU 88 -2.338 1.939 18.364 651 2HG GLU 88 2HG GLU 88 -3.841 1.176 18.855 652 H ASP 89 H ASP 89 -5.020 -0.980 18.042 653 HA ASP 89 HA ASP 89 -7.719 0.208 18.674 654 1HB ASP 89 1HB ASP 89 -8.242 -1.960 18.917 655 2HB ASP 89 2HB ASP 89 -7.444 -1.892 20.471 656 H ALA 90 H ALA 90 -8.200 1.359 20.402 657 HA ALA 90 HA ALA 90 -6.036 1.948 22.502 658 1HB ALA 90 1HB ALA 90 -8.134 3.745 21.185 659 2HB ALA 90 2HB ALA 90 -7.596 4.114 22.835 660 3HB ALA 90 3HB ALA 90 -6.414 4.079 21.505 Start of MODEL 25 Raw file had 660 H/Q atoms Start of MODEL 25 1 1H ALA 1 1H ALA 1 -20.640 2.161 7.294 2 2H ALA 1 2H ALA 1 -19.815 1.488 5.992 3 3H ALA 1 3H ALA 1 -19.424 3.034 6.526 4 HA ALA 1 HA ALA 1 -21.723 2.088 4.983 5 1HB ALA 1 1HB ALA 1 -22.448 4.712 5.749 6 2HB ALA 1 2HB ALA 1 -23.195 3.212 6.331 7 3HB ALA 1 3HB ALA 1 -21.895 3.983 7.276 8 H SER 2 H SER 2 -21.679 2.988 2.999 9 HA SER 2 HA SER 2 -20.696 3.972 1.021 10 1HB SER 2 1HB SER 2 -20.240 6.559 1.489 11 2HB SER 2 2HB SER 2 -21.878 5.902 1.438 12 HG SER 2 HG SER 2 -20.572 7.067 3.448 13 H MET 3 H MET 3 -18.828 2.533 1.315 14 HA MET 3 HA MET 3 -16.219 3.918 2.124 15 1HB MET 3 1HB MET 3 -16.459 1.714 3.130 16 2HB MET 3 2HB MET 3 -16.841 0.967 1.586 17 1HG MET 3 1HG MET 3 -14.116 2.323 1.940 18 2HG MET 3 2HG MET 3 -14.577 1.029 0.823 19 1HE MET 3 1HE MET 3 -13.750 -2.157 2.572 20 2HE MET 3 2HE MET 3 -14.735 -1.404 1.283 21 3HE MET 3 3HE MET 3 -12.981 -1.068 1.375 22 H THR 4 H THR 4 -17.815 4.697 -0.139 23 HA THR 4 HA THR 4 -16.291 3.857 -2.599 24 HB THR 4 HB THR 4 -17.706 5.308 -3.890 25 HG1 THR 4 HG1 THR 4 -19.186 6.654 -2.940 26 1HG2 THR 4 1HG2 THR 4 -19.993 4.503 -3.439 27 2HG2 THR 4 2HG2 THR 4 -18.852 3.154 -3.234 28 3HG2 THR 4 3HG2 THR 4 -19.550 3.960 -1.806 29 H ASP 5 H ASP 5 -15.203 5.410 -0.095 30 HA ASP 5 HA ASP 5 -13.151 6.971 -1.432 31 1HB ASP 5 1HB ASP 5 -13.874 9.321 -0.549 32 2HB ASP 5 2HB ASP 5 -14.505 8.734 -2.071 33 H GLN 6 H GLN 6 -13.119 5.056 0.447 34 HA GLN 6 HA GLN 6 -12.627 6.189 3.201 35 1HB GLN 6 1HB GLN 6 -12.582 3.437 1.969 36 2HB GLN 6 2HB GLN 6 -11.442 3.709 3.274 37 1HG GLN 6 1HG GLN 6 -13.912 2.808 3.764 38 2HG GLN 6 2HG GLN 6 -14.367 4.498 3.692 39 1HE2 GLN 6 1HE2 GLN 6 -13.383 3.481 7.263 40 2HE2 GLN 6 2HE2 GLN 6 -14.387 2.644 5.976 41 H GLN 7 H GLN 7 -10.847 5.232 0.311 42 HA GLN 7 HA GLN 7 -8.079 5.497 1.171 43 1HB GLN 7 1HB GLN 7 -9.071 6.447 -1.572 44 2HB GLN 7 2HB GLN 7 -7.470 5.880 -1.130 45 1HG GLN 7 1HG GLN 7 -8.009 3.655 -1.338 46 2HG GLN 7 2HG GLN 7 -9.594 3.833 -0.615 47 1HE2 GLN 7 1HE2 GLN 7 -10.751 3.162 -3.976 48 2HE2 GLN 7 2HE2 GLN 7 -10.472 2.496 -2.289 49 H ALA 8 H ALA 8 -10.525 7.891 0.235 50 HA ALA 8 HA ALA 8 -8.849 10.276 0.026 51 1HB ALA 8 1HB ALA 8 -11.232 11.383 0.699 52 2HB ALA 8 2HB ALA 8 -10.909 10.708 -0.909 53 3HB ALA 8 3HB ALA 8 -11.818 9.753 0.290 54 H GLU 9 H GLU 9 -10.359 8.604 2.730 55 HA GLU 9 HA GLU 9 -10.138 10.685 4.783 56 1HB GLU 9 1HB GLU 9 -11.596 8.557 4.849 57 2HB GLU 9 2HB GLU 9 -10.164 7.681 5.351 58 1HG GLU 9 1HG GLU 9 -10.033 9.541 7.294 59 2HG GLU 9 2HG GLU 9 -11.715 9.829 6.884 60 H ALA 10 H ALA 10 -7.974 8.168 3.591 61 HA ALA 10 HA ALA 10 -5.958 8.205 5.730 62 1HB ALA 10 1HB ALA 10 -4.508 6.987 4.114 63 2HB ALA 10 2HB ALA 10 -6.145 6.305 4.152 64 3HB ALA 10 3HB ALA 10 -5.641 7.334 2.787 65 NH1 ARG 11 NH1 ARG 11 -5.411 14.876 -3.255 66 NH2 ARG 11 NH2 ARG 11 -4.303 16.577 -2.235 67 H ARG 11 H ARG 11 -6.208 9.849 2.578 68 HA ARG 11 HA ARG 11 -3.606 11.269 2.696 69 1HB ARG 11 1HB ARG 11 -4.926 10.709 0.558 70 2HB ARG 11 2HB ARG 11 -6.042 12.000 0.980 71 1HG ARG 11 1HG ARG 11 -3.981 13.604 1.060 72 2HG ARG 11 2HG ARG 11 -3.067 12.308 0.286 73 1HD ARG 11 1HD ARG 11 -4.428 12.357 -1.721 74 2HD ARG 11 2HD ARG 11 -5.723 13.262 -0.939 75 HE ARG 11 HE ARG 11 -3.099 14.733 -1.077 76 1HH1 ARG 11 1HH1 ARG 11 -5.829 15.605 -3.844 77 2HH1 ARG 11 2HH1 ARG 11 -5.570 13.865 -3.324 78 1HH2 ARG 11 1HH2 ARG 11 -3.603 16.861 -1.541 79 2HH2 ARG 11 2HH2 ARG 11 -4.812 17.191 -2.882 80 H ALA 12 H ALA 12 -6.928 11.994 3.624 81 HA ALA 12 HA ALA 12 -6.798 14.841 4.128 82 1HB ALA 12 1HB ALA 12 -8.725 14.526 5.664 83 2HB ALA 12 2HB ALA 12 -8.935 13.587 4.173 84 3HB ALA 12 3HB ALA 12 -8.467 12.765 5.682 85 H PHE 13 H PHE 13 -5.525 12.128 5.947 86 HA PHE 13 HA PHE 13 -5.174 13.538 8.534 87 1HB PHE 13 1HB PHE 13 -5.522 11.030 8.266 88 2HB PHE 13 2HB PHE 13 -3.911 10.885 7.615 89 HD1 PHE 13 HD1 PHE 13 -3.380 9.293 9.511 90 HD2 PHE 13 HD2 PHE 13 -4.441 13.386 10.317 91 HE1 PHE 13 HE1 PHE 13 -2.560 9.063 11.821 92 HE2 PHE 13 HE2 PHE 13 -3.584 13.146 12.610 93 HZ PHE 13 HZ PHE 13 -2.609 11.001 13.355 94 H LEU 14 H LEU 14 -3.030 12.551 5.864 95 HA LEU 14 HA LEU 14 -0.669 14.034 7.125 96 1HB LEU 14 1HB LEU 14 0.476 12.699 5.024 97 2HB LEU 14 2HB LEU 14 0.377 12.088 6.661 98 HG LEU 14 HG LEU 14 -1.937 11.440 4.786 99 1HD1 LEU 14 1HD1 LEU 14 -0.505 9.711 6.903 100 2HD1 LEU 14 2HD1 LEU 14 -1.931 10.712 7.233 101 3HD1 LEU 14 3HD1 LEU 14 -2.050 9.349 6.092 102 1HD2 LEU 14 1HD2 LEU 14 -0.767 9.552 3.732 103 2HD2 LEU 14 2HD2 LEU 14 0.207 11.012 3.433 104 3HD2 LEU 14 3HD2 LEU 14 0.711 9.860 4.678 105 H SER 15 H SER 15 0.044 15.835 6.266 106 HA SER 15 HA SER 15 -1.163 17.382 4.136 107 1HB SER 15 1HB SER 15 1.786 17.695 4.842 108 2HB SER 15 2HB SER 15 0.535 18.093 6.022 109 HG SER 15 HG SER 15 -0.152 19.688 4.810 110 H GLU 16 H GLU 16 0.295 18.121 2.207 111 HA GLU 16 HA GLU 16 0.594 15.798 0.372 112 1HB GLU 16 1HB GLU 16 0.794 18.807 0.021 113 2HB GLU 16 2HB GLU 16 1.448 17.762 -1.224 114 1HG GLU 16 1HG GLU 16 -0.659 17.040 -1.947 115 2HG GLU 16 2HG GLU 16 -1.369 17.094 -0.343 116 H GLU 17 H GLU 17 2.702 18.026 2.081 117 HA GLU 17 HA GLU 17 5.224 17.683 0.763 118 1HB GLU 17 1HB GLU 17 4.752 18.090 3.759 119 2HB GLU 17 2HB GLU 17 6.350 18.073 3.038 120 1HG GLU 17 1HG GLU 17 6.136 20.205 2.157 121 2HG GLU 17 2HG GLU 17 4.950 20.363 3.442 122 H MET 18 H MET 18 3.942 15.741 3.486 123 HA MET 18 HA MET 18 6.183 13.861 3.683 124 1HB MET 18 1HB MET 18 4.583 12.385 4.986 125 2HB MET 18 2HB MET 18 4.793 14.013 5.605 126 1HG MET 18 1HG MET 18 2.526 14.340 3.966 127 2HG MET 18 2HG MET 18 2.321 12.689 4.574 128 1HE MET 18 1HE MET 18 4.067 15.823 5.687 129 2HE MET 18 2HE MET 18 2.752 16.665 6.558 130 3HE MET 18 3HE MET 18 3.951 15.703 7.471 131 H ILE 19 H ILE 19 3.214 13.936 1.788 132 HA ILE 19 HA ILE 19 3.147 11.229 0.730 133 HB ILE 19 HB ILE 19 2.263 13.722 -0.810 134 1HG1 ILE 19 1HG1 ILE 19 1.263 13.183 1.693 135 2HG1 ILE 19 2HG1 ILE 19 0.325 13.919 0.412 136 1HG2 ILE 19 1HG2 ILE 19 0.692 12.169 -1.991 137 2HG2 ILE 19 2HG2 ILE 19 2.358 11.641 -2.219 138 3HG2 ILE 19 3HG2 ILE 19 1.317 10.788 -1.057 139 1HD1 ILE 19 1HD1 ILE 19 0.216 10.931 1.132 140 2HD1 ILE 19 2HD1 ILE 19 -1.025 12.167 1.423 141 3HD1 ILE 19 3HD1 ILE 19 -0.640 11.679 -0.244 142 H ALA 20 H ALA 20 4.881 14.154 -0.308 143 HA ALA 20 HA ALA 20 5.995 13.362 -2.810 144 1HB ALA 20 1HB ALA 20 7.472 15.170 -2.614 145 2HB ALA 20 2HB ALA 20 6.192 15.634 -1.476 146 3HB ALA 20 3HB ALA 20 7.725 14.962 -0.864 147 H GLU 21 H GLU 21 7.146 12.659 0.478 148 HA GLU 21 HA GLU 21 9.667 11.313 -0.371 149 1HB GLU 21 1HB GLU 21 9.157 12.591 1.873 150 2HB GLU 21 2HB GLU 21 8.470 11.075 2.422 151 1HG GLU 21 1HG GLU 21 10.544 10.044 2.660 152 2HG GLU 21 2HG GLU 21 11.043 11.712 2.883 153 H PHE 22 H PHE 22 6.420 10.361 0.624 154 HA PHE 22 HA PHE 22 6.695 7.536 1.127 155 1HB PHE 22 1HB PHE 22 4.343 9.036 -0.164 156 2HB PHE 22 2HB PHE 22 4.269 7.346 0.260 157 HD1 PHE 22 HD1 PHE 22 6.303 8.340 2.835 158 HD2 PHE 22 HD2 PHE 22 2.297 9.107 1.458 159 HE1 PHE 22 HE1 PHE 22 5.615 8.916 5.125 160 HE2 PHE 22 HE2 PHE 22 1.637 9.711 3.751 161 HZ PHE 22 HZ PHE 22 3.284 9.596 5.590 162 H LYS 23 H LYS 23 6.131 9.273 -1.935 163 HA LYS 23 HA LYS 23 5.881 7.063 -3.764 164 1HB LYS 23 1HB LYS 23 7.376 9.504 -4.760 165 2HB LYS 23 2HB LYS 23 6.116 8.574 -5.543 166 1HG LYS 23 1HG LYS 23 4.460 9.581 -3.808 167 2HG LYS 23 2HG LYS 23 5.762 10.632 -3.285 168 1HD LYS 23 1HD LYS 23 4.726 12.064 -4.813 169 2HD LYS 23 2HD LYS 23 4.080 10.736 -5.764 170 1HE LYS 23 1HE LYS 23 7.039 11.583 -5.871 171 2HE LYS 23 2HE LYS 23 6.278 10.362 -6.892 172 1HZ LYS 23 1HZ LYS 23 5.105 13.063 -6.891 173 2HZ LYS 23 2HZ LYS 23 6.544 12.845 -7.673 174 3HZ LYS 23 3HZ LYS 23 5.218 11.969 -8.124 175 H ALA 24 H ALA 24 8.777 8.782 -2.611 176 HA ALA 24 HA ALA 24 10.835 7.713 -4.289 177 1HB ALA 24 1HB ALA 24 12.428 8.225 -2.448 178 2HB ALA 24 2HB ALA 24 11.251 9.535 -2.660 179 3HB ALA 24 3HB ALA 24 11.086 8.404 -1.293 180 H ALA 25 H ALA 25 9.370 6.330 -1.361 181 HA ALA 25 HA ALA 25 11.211 4.015 -1.113 182 1HB ALA 25 1HB ALA 25 9.658 3.242 0.671 183 2HB ALA 25 2HB ALA 25 10.071 4.954 0.876 184 3HB ALA 25 3HB ALA 25 8.475 4.496 0.229 185 H PHE 26 H PHE 26 7.901 4.501 -2.328 186 HA PHE 26 HA PHE 26 7.131 1.739 -2.776 187 1HB PHE 26 1HB PHE 26 5.631 3.850 -2.815 188 2HB PHE 26 2HB PHE 26 6.149 4.117 -4.459 189 HD1 PHE 26 HD1 PHE 26 5.221 2.747 -6.297 190 HD2 PHE 26 HD2 PHE 26 4.295 1.749 -2.216 191 HE1 PHE 26 HE1 PHE 26 3.451 1.217 -7.061 192 HE2 PHE 26 HE2 PHE 26 2.505 0.251 -2.998 193 HZ PHE 26 HZ PHE 26 2.069 -0.005 -5.417 194 H ASP 27 H ASP 27 8.989 4.038 -4.692 195 HA ASP 27 HA ASP 27 9.013 2.441 -7.204 196 1HB ASP 27 1HB ASP 27 10.298 5.051 -6.351 197 2HB ASP 27 2HB ASP 27 9.196 4.720 -7.668 198 H MET 28 H MET 28 11.078 2.844 -4.391 199 HA MET 28 HA MET 28 13.610 1.835 -5.265 200 1HB MET 28 1HB MET 28 13.427 0.689 -2.708 201 2HB MET 28 2HB MET 28 12.270 2.004 -2.611 202 1HG MET 28 1HG MET 28 14.077 3.637 -3.376 203 2HG MET 28 2HG MET 28 14.431 2.834 -1.838 204 1HE MET 28 1HE MET 28 15.920 1.138 -1.333 205 2HE MET 28 2HE MET 28 17.245 0.484 -2.340 206 3HE MET 28 3HE MET 28 17.355 2.148 -1.695 207 H PHE 29 H PHE 29 10.640 0.111 -4.471 208 HA PHE 29 HA PHE 29 11.905 -2.631 -4.770 209 1HB PHE 29 1HB PHE 29 9.344 -3.327 -4.395 210 2HB PHE 29 2HB PHE 29 9.140 -1.675 -3.881 211 HD1 PHE 29 HD1 PHE 29 12.469 -2.977 -3.094 212 HD2 PHE 29 HD2 PHE 29 8.420 -2.731 -1.650 213 HE1 PHE 29 HE1 PHE 29 13.235 -3.517 -0.819 214 HE2 PHE 29 HE2 PHE 29 9.208 -3.279 0.616 215 HZ PHE 29 HZ PHE 29 11.610 -3.664 1.038 216 H ASP 30 H ASP 30 9.138 -0.835 -6.170 217 HA ASP 30 HA ASP 30 8.739 -2.785 -8.383 218 1HB ASP 30 1HB ASP 30 6.774 -1.727 -8.865 219 2HB ASP 30 2HB ASP 30 6.968 -1.169 -7.220 220 H ALA 31 H ALA 31 8.393 -1.482 -10.645 221 HA ALA 31 HA ALA 31 11.190 -0.917 -11.584 222 1HB ALA 31 1HB ALA 31 10.180 -0.928 -13.869 223 2HB ALA 31 2HB ALA 31 9.724 -2.371 -12.942 224 3HB ALA 31 3HB ALA 31 8.545 -1.055 -13.177 225 H ASP 32 H ASP 32 10.631 0.858 -13.654 226 HA ASP 32 HA ASP 32 10.283 3.514 -12.207 227 1HB ASP 32 1HB ASP 32 11.513 4.596 -13.928 228 2HB ASP 32 2HB ASP 32 12.387 3.128 -13.552 229 H GLY 33 H GLY 33 8.193 3.972 -12.095 230 1HA GLY 33 1HA GLY 33 6.063 4.870 -12.950 231 2HA GLY 33 2HA GLY 33 6.567 4.424 -14.583 232 H GLY 34 H GLY 34 6.684 2.199 -11.851 233 1HA GLY 34 1HA GLY 34 5.209 0.015 -13.148 234 2HA GLY 34 2HA GLY 34 5.593 0.100 -11.425 235 H GLY 35 H GLY 35 4.228 1.397 -10.040 236 1HA GLY 35 1HA GLY 35 2.046 2.794 -9.804 237 2HA GLY 35 2HA GLY 35 1.352 1.745 -11.044 238 H ASP 36 H ASP 36 2.613 -0.676 -10.008 239 HA ASP 36 HA ASP 36 1.122 -1.153 -7.383 240 1HB ASP 36 1HB ASP 36 0.081 -3.229 -8.244 241 2HB ASP 36 2HB ASP 36 -0.501 -1.795 -9.059 242 H ILE 37 H ILE 37 1.700 -3.267 -6.442 243 HA ILE 37 HA ILE 37 4.378 -4.480 -7.244 244 HB ILE 37 HB ILE 37 5.350 -4.279 -5.006 245 1HG1 ILE 37 1HG1 ILE 37 3.563 -2.047 -4.050 246 2HG1 ILE 37 2HG1 ILE 37 2.806 -3.626 -4.017 247 1HG2 ILE 37 1HG2 ILE 37 6.074 -1.893 -5.161 248 2HG2 ILE 37 2HG2 ILE 37 5.946 -2.598 -6.779 249 3HG2 ILE 37 3HG2 ILE 37 4.677 -1.498 -6.191 250 1HD1 ILE 37 1HD1 ILE 37 5.410 -2.930 -2.540 251 2HD1 ILE 37 2HD1 ILE 37 3.804 -3.224 -1.837 252 3HD1 ILE 37 3HD1 ILE 37 4.686 -4.559 -2.613 253 H SER 38 H SER 38 4.751 -6.215 -5.283 254 HA SER 38 HA SER 38 2.417 -8.103 -5.367 255 1HB SER 38 1HB SER 38 4.618 -8.936 -3.590 256 2HB SER 38 2HB SER 38 5.223 -8.412 -5.163 257 HG SER 38 HG SER 38 3.209 -10.331 -4.619 258 H THR 39 H THR 39 1.299 -8.850 -3.589 259 HA THR 39 HA THR 39 0.611 -6.873 -1.492 260 HB THR 39 HB THR 39 -1.024 -8.412 -0.645 261 HG1 THR 39 HG1 THR 39 0.588 -10.273 -1.893 262 1HG2 THR 39 1HG2 THR 39 -2.410 -8.927 -2.605 263 2HG2 THR 39 2HG2 THR 39 -1.631 -7.348 -2.860 264 3HG2 THR 39 3HG2 THR 39 -1.017 -8.795 -3.703 265 H LYS 40 H LYS 40 2.849 -9.523 -1.742 266 HA LYS 40 HA LYS 40 3.217 -10.022 1.169 267 1HB LYS 40 1HB LYS 40 4.011 -11.311 -1.296 268 2HB LYS 40 2HB LYS 40 5.494 -10.944 -0.441 269 1HG LYS 40 1HG LYS 40 4.767 -12.227 1.530 270 2HG LYS 40 2HG LYS 40 3.140 -12.400 0.901 271 1HD LYS 40 1HD LYS 40 4.117 -14.533 0.481 272 2HD LYS 40 2HD LYS 40 4.167 -13.728 -1.079 273 1HE LYS 40 1HE LYS 40 6.488 -14.397 0.767 274 2HE LYS 40 2HE LYS 40 6.657 -12.978 -0.269 275 1HZ LYS 40 1HZ LYS 40 5.693 -15.438 -1.549 276 2HZ LYS 40 2HZ LYS 40 6.714 -14.277 -2.134 277 3HZ LYS 40 3HZ LYS 40 7.275 -15.413 -1.073 278 H GLU 41 H GLU 41 4.445 -7.738 -1.129 279 HA GLU 41 HA GLU 41 7.096 -7.261 0.190 280 1HB GLU 41 1HB GLU 41 6.634 -5.097 -1.570 281 2HB GLU 41 2HB GLU 41 5.783 -6.431 -2.325 282 1HG GLU 41 1HG GLU 41 8.752 -6.033 -1.912 283 2HG GLU 41 2HG GLU 41 8.193 -7.686 -1.722 284 H LEU 42 H LEU 42 4.026 -5.442 -0.148 285 HA LEU 42 HA LEU 42 4.511 -2.961 0.948 286 1HB LEU 42 1HB LEU 42 2.066 -3.958 2.217 287 2HB LEU 42 2HB LEU 42 2.285 -2.752 0.929 288 HG LEU 42 HG LEU 42 2.216 -5.761 0.325 289 1HD1 LEU 42 1HD1 LEU 42 -0.228 -5.487 -0.215 290 2HD1 LEU 42 2HD1 LEU 42 0.094 -5.242 1.508 291 3HD1 LEU 42 3HD1 LEU 42 -0.197 -3.835 0.455 292 1HD2 LEU 42 1HD2 LEU 42 1.647 -3.270 -1.435 293 2HD2 LEU 42 2HD2 LEU 42 3.106 -4.289 -1.510 294 3HD2 LEU 42 3HD2 LEU 42 1.534 -4.968 -1.969 295 H GLY 43 H GLY 43 4.000 -5.932 2.862 296 1HA GLY 43 1HA GLY 43 4.247 -4.996 5.578 297 2HA GLY 43 2HA GLY 43 4.867 -6.559 5.030 298 H THR 44 H THR 44 6.934 -6.379 3.669 299 HA THR 44 HA THR 44 9.152 -5.748 5.192 300 HB THR 44 HB THR 44 8.916 -5.842 2.167 301 HG1 THR 44 HG1 THR 44 9.755 -7.776 2.458 302 1HG2 THR 44 1HG2 THR 44 11.407 -5.944 1.985 303 2HG2 THR 44 2HG2 THR 44 10.868 -4.339 2.522 304 3HG2 THR 44 3HG2 THR 44 11.565 -5.482 3.698 305 H VAL 45 H VAL 45 7.704 -3.561 2.767 306 HA VAL 45 HA VAL 45 9.655 -1.414 2.890 307 HB VAL 45 HB VAL 45 7.359 -0.009 2.252 308 1HG1 VAL 45 1HG1 VAL 45 6.875 -2.807 1.049 309 2HG1 VAL 45 2HG1 VAL 45 5.955 -2.166 2.416 310 3HG1 VAL 45 3HG1 VAL 45 5.882 -1.340 0.843 311 1HG2 VAL 45 1HG2 VAL 45 8.072 -0.136 -0.073 312 2HG2 VAL 45 2HG2 VAL 45 9.557 -0.207 0.904 313 3HG2 VAL 45 3HG2 VAL 45 8.912 -1.688 0.182 314 H MET 46 H MET 46 6.680 -2.019 4.744 315 HA MET 46 HA MET 46 6.556 0.508 6.207 316 1HB MET 46 1HB MET 46 5.023 -0.682 7.807 317 2HB MET 46 2HB MET 46 5.428 -2.218 7.063 318 1HG MET 46 1HG MET 46 3.635 -0.016 6.022 319 2HG MET 46 2HG MET 46 4.578 -0.890 4.804 320 1HE MET 46 1HE MET 46 1.417 -1.986 4.158 321 2HE MET 46 2HE MET 46 0.653 -1.945 5.775 322 3HE MET 46 3HE MET 46 1.596 -0.539 5.200 323 NH1 ARG 47 NH1 ARG 47 12.516 -7.748 7.234 324 NH2 ARG 47 NH2 ARG 47 10.652 -8.624 8.192 325 H ARG 47 H ARG 47 8.318 -2.488 6.751 326 HA ARG 47 HA ARG 47 9.018 -1.987 9.608 327 1HB ARG 47 1HB ARG 47 8.885 -4.300 8.924 328 2HB ARG 47 2HB ARG 47 9.929 -4.044 7.532 329 1HG ARG 47 1HG ARG 47 11.624 -3.281 9.643 330 2HG ARG 47 2HG ARG 47 10.687 -4.589 10.369 331 1HD ARG 47 1HD ARG 47 11.814 -5.049 7.568 332 2HD ARG 47 2HD ARG 47 12.942 -5.078 8.923 333 HE ARG 47 HE ARG 47 11.046 -6.834 9.893 334 1HH1 ARG 47 1HH1 ARG 47 12.508 -8.585 6.640 335 2HH1 ARG 47 2HH1 ARG 47 13.198 -6.982 7.207 336 1HH2 ARG 47 1HH2 ARG 47 9.928 -8.542 8.914 337 2HH2 ARG 47 2HH2 ARG 47 10.753 -9.381 7.507 338 H MET 48 H MET 48 10.768 -1.783 6.497 339 HA MET 48 HA MET 48 13.311 -0.819 7.773 340 1HB MET 48 1HB MET 48 12.708 -0.728 4.759 341 2HB MET 48 2HB MET 48 13.097 -2.235 5.567 342 1HG MET 48 1HG MET 48 15.036 0.064 6.017 343 2HG MET 48 2HG MET 48 14.991 -0.665 4.404 344 1HE MET 48 1HE MET 48 17.462 -1.051 4.852 345 2HE MET 48 2HE MET 48 18.065 -2.592 5.530 346 3HE MET 48 3HE MET 48 17.054 -2.604 4.056 347 H LEU 49 H LEU 49 10.375 0.615 7.197 348 HA LEU 49 HA LEU 49 11.344 3.388 6.524 349 1HB LEU 49 1HB LEU 49 8.642 2.134 7.126 350 2HB LEU 49 2HB LEU 49 8.827 3.849 7.426 351 HG LEU 49 HG LEU 49 8.999 2.361 4.757 352 1HD1 LEU 49 1HD1 LEU 49 7.300 4.052 4.047 353 2HD1 LEU 49 2HD1 LEU 49 6.750 3.183 5.491 354 3HD1 LEU 49 3HD1 LEU 49 7.380 4.842 5.642 355 1HD2 LEU 49 1HD2 LEU 49 10.008 5.248 5.222 356 2HD2 LEU 49 2HD2 LEU 49 11.003 3.852 4.738 357 3HD2 LEU 49 3HD2 LEU 49 9.768 4.475 3.635 358 H GLY 50 H GLY 50 10.667 1.363 9.310 359 1HA GLY 50 1HA GLY 50 10.405 3.530 11.305 360 2HA GLY 50 2HA GLY 50 12.072 2.984 11.330 361 H GLN 51 H GLN 51 9.389 0.817 10.603 362 HA GLN 51 HA GLN 51 8.889 -0.041 13.444 363 1HB GLN 51 1HB GLN 51 7.765 -1.430 10.951 364 2HB GLN 51 2HB GLN 51 7.139 -1.444 12.590 365 1HG GLN 51 1HG GLN 51 7.230 1.091 10.849 366 2HG GLN 51 2HG GLN 51 5.851 0.013 10.916 367 1HE2 GLN 51 1HE2 GLN 51 4.878 2.504 13.422 368 2HE2 GLN 51 2HE2 GLN 51 4.749 2.012 11.659 369 H ASN 52 H ASN 52 8.594 -2.617 13.515 370 HA ASN 52 HA ASN 52 10.796 -4.173 12.215 371 1HB ASN 52 1HB ASN 52 11.823 -2.916 14.215 372 2HB ASN 52 2HB ASN 52 10.880 -3.939 15.277 373 1HD2 ASN 52 1HD2 ASN 52 14.390 -5.269 13.640 374 2HD2 ASN 52 2HD2 ASN 52 13.753 -3.554 13.501 375 HA PRO 53 HA PRO 53 6.791 -6.324 14.128 376 1HB PRO 53 1HB PRO 53 5.223 -6.795 11.901 377 2HB PRO 53 2HB PRO 53 5.233 -5.277 12.813 378 1HG PRO 53 1HG PRO 53 5.737 -4.421 10.682 379 2HG PRO 53 2HG PRO 53 6.665 -5.846 10.160 380 1HD PRO 53 1HD PRO 53 8.513 -4.486 10.815 381 2HD PRO 53 2HD PRO 53 7.501 -3.491 11.907 382 H THR 54 H THR 54 5.697 -8.487 12.876 383 HA THR 54 HA THR 54 8.072 -10.394 12.739 384 HB THR 54 HB THR 54 5.454 -11.698 13.115 385 HG1 THR 54 HG1 THR 54 5.951 -10.707 15.469 386 1HG2 THR 54 1HG2 THR 54 6.589 -12.811 15.011 387 2HG2 THR 54 2HG2 THR 54 7.636 -12.859 13.574 388 3HG2 THR 54 3HG2 THR 54 7.977 -11.704 14.887 389 H LYS 55 H LYS 55 7.549 -12.436 11.454 390 HA LYS 55 HA LYS 55 6.889 -11.620 8.618 391 1HB LYS 55 1HB LYS 55 7.868 -14.376 9.551 392 2HB LYS 55 2HB LYS 55 8.970 -13.034 9.326 393 1HG LYS 55 1HG LYS 55 8.779 -14.696 7.391 394 2HG LYS 55 2HG LYS 55 7.139 -14.144 7.111 395 1HD LYS 55 1HD LYS 55 8.325 -11.706 6.913 396 2HD LYS 55 2HD LYS 55 9.765 -12.675 6.641 397 1HE LYS 55 1HE LYS 55 7.236 -12.609 4.906 398 2HE LYS 55 2HE LYS 55 8.879 -12.167 4.438 399 1HZ LYS 55 1HZ LYS 55 8.567 -14.914 5.362 400 2HZ LYS 55 2HZ LYS 55 7.766 -14.556 3.963 401 3HZ LYS 55 3HZ LYS 55 9.399 -14.327 4.062 402 H GLU 56 H GLU 56 5.746 -13.726 11.208 403 HA GLU 56 HA GLU 56 3.713 -15.248 9.694 404 1HB GLU 56 1HB GLU 56 4.481 -14.964 12.565 405 2HB GLU 56 2HB GLU 56 2.777 -15.281 12.310 406 1HG GLU 56 1HG GLU 56 4.752 -17.056 10.812 407 2HG GLU 56 2HG GLU 56 4.649 -17.253 12.553 408 H GLU 57 H GLU 57 3.817 -12.172 11.396 409 HA GLU 57 HA GLU 57 0.906 -11.647 11.479 410 1HB GLU 57 1HB GLU 57 3.235 -9.672 11.743 411 2HB GLU 57 2HB GLU 57 1.552 -9.265 12.007 412 1HG GLU 57 1HG GLU 57 3.242 -11.240 13.669 413 2HG GLU 57 2HG GLU 57 1.507 -11.072 13.877 414 H LEU 58 H LEU 58 3.524 -10.999 9.212 415 HA LEU 58 HA LEU 58 2.119 -9.200 7.365 416 1HB LEU 58 1HB LEU 58 4.617 -9.517 7.410 417 2HB LEU 58 2HB LEU 58 4.433 -11.138 6.775 418 HG LEU 58 HG LEU 58 5.102 -9.225 5.130 419 1HD1 LEU 58 1HD1 LEU 58 2.070 -8.661 5.095 420 2HD1 LEU 58 2HD1 LEU 58 3.248 -7.615 5.900 421 3HD1 LEU 58 3HD1 LEU 58 3.333 -7.847 4.136 422 1HD2 LEU 58 1HD2 LEU 58 3.967 -10.299 3.216 423 2HD2 LEU 58 2HD2 LEU 58 4.374 -11.564 4.402 424 3HD2 LEU 58 3HD2 LEU 58 2.706 -10.975 4.278 425 H ASP 59 H ASP 59 2.337 -12.698 7.719 426 HA ASP 59 HA ASP 59 0.962 -13.531 5.281 427 1HB ASP 59 1HB ASP 59 1.277 -14.960 7.974 428 2HB ASP 59 2HB ASP 59 0.374 -15.662 6.651 429 H ALA 60 H ALA 60 -0.188 -12.642 8.520 430 HA ALA 60 HA ALA 60 -3.027 -13.331 8.248 431 1HB ALA 60 1HB ALA 60 -3.383 -11.804 10.182 432 2HB ALA 60 2HB ALA 60 -1.999 -12.881 10.454 433 3HB ALA 60 3HB ALA 60 -1.726 -11.171 10.029 434 H ILE 61 H ILE 61 -1.270 -10.239 7.809 435 HA ILE 61 HA ILE 61 -3.334 -8.492 7.008 436 HB ILE 61 HB ILE 61 -0.393 -8.542 6.444 437 1HG1 ILE 61 1HG1 ILE 61 -2.383 -6.678 7.807 438 2HG1 ILE 61 2HG1 ILE 61 -0.959 -5.941 7.104 439 1HG2 ILE 61 1HG2 ILE 61 -0.465 -6.596 4.862 440 2HG2 ILE 61 2HG2 ILE 61 -1.244 -8.007 4.149 441 3HG2 ILE 61 3HG2 ILE 61 -2.242 -6.688 4.802 442 1HD1 ILE 61 1HD1 ILE 61 0.581 -7.291 8.501 443 2HD1 ILE 61 2HD1 ILE 61 -0.616 -6.453 9.512 444 3HD1 ILE 61 3HD1 ILE 61 -0.798 -8.193 9.189 445 H ILE 62 H ILE 62 -1.681 -11.036 5.225 446 HA ILE 62 HA ILE 62 -2.526 -10.437 2.497 447 HB ILE 62 HB ILE 62 -0.884 -12.355 3.602 448 1HG1 ILE 62 1HG1 ILE 62 -1.948 -12.707 0.736 449 2HG1 ILE 62 2HG1 ILE 62 -1.012 -11.291 1.165 450 1HG2 ILE 62 1HG2 ILE 62 -1.739 -14.627 2.972 451 2HG2 ILE 62 2HG2 ILE 62 -2.777 -13.898 4.195 452 3HG2 ILE 62 3HG2 ILE 62 -3.307 -13.927 2.498 453 1HD1 ILE 62 1HD1 ILE 62 0.040 -14.175 1.350 454 2HD1 ILE 62 2HD1 ILE 62 0.497 -12.920 0.179 455 3HD1 ILE 62 3HD1 ILE 62 0.933 -12.727 1.892 456 H GLU 63 H GLU 63 -3.947 -12.558 4.994 457 HA GLU 63 HA GLU 63 -6.192 -13.627 3.609 458 1HB GLU 63 1HB GLU 63 -5.480 -13.267 6.448 459 2HB GLU 63 2HB GLU 63 -7.212 -13.149 6.208 460 1HG GLU 63 1HG GLU 63 -5.527 -15.519 5.173 461 2HG GLU 63 2HG GLU 63 -7.278 -15.405 5.146 462 H GLU 64 H GLU 64 -5.957 -10.521 5.341 463 HA GLU 64 HA GLU 64 -8.782 -9.723 4.948 464 1HB GLU 64 1HB GLU 64 -6.748 -8.857 6.618 465 2HB GLU 64 2HB GLU 64 -6.813 -7.534 5.470 466 1HG GLU 64 1HG GLU 64 -8.378 -7.695 7.731 467 2HG GLU 64 2HG GLU 64 -9.481 -8.451 6.593 468 H VAL 65 H VAL 65 -5.771 -9.265 3.198 469 HA VAL 65 HA VAL 65 -6.609 -7.021 1.469 470 HB VAL 65 HB VAL 65 -4.276 -8.978 1.228 471 1HG1 VAL 65 1HG1 VAL 65 -3.359 -7.562 -0.619 472 2HG1 VAL 65 2HG1 VAL 65 -4.904 -8.293 -1.093 473 3HG1 VAL 65 3HG1 VAL 65 -4.841 -6.574 -0.636 474 1HG2 VAL 65 1HG2 VAL 65 -4.318 -5.968 1.960 475 2HG2 VAL 65 2HG2 VAL 65 -4.012 -7.319 3.078 476 3HG2 VAL 65 3HG2 VAL 65 -2.861 -6.976 1.779 477 H ASP 66 H ASP 66 -5.675 -10.270 0.309 478 HA ASP 66 HA ASP 66 -7.755 -10.056 -1.897 479 1HB ASP 66 1HB ASP 66 -5.418 -10.505 -2.610 480 2HB ASP 66 2HB ASP 66 -5.360 -11.958 -1.639 481 H GLU 67 H GLU 67 -9.243 -10.378 0.027 482 HA GLU 67 HA GLU 67 -9.790 -12.926 1.298 483 1HB GLU 67 1HB GLU 67 -11.501 -10.554 0.600 484 2HB GLU 67 2HB GLU 67 -12.351 -12.059 0.889 485 1HG GLU 67 1HG GLU 67 -11.441 -12.230 3.182 486 2HG GLU 67 2HG GLU 67 -10.322 -10.906 2.903 487 H ASP 68 H ASP 68 -11.048 -11.637 -1.792 488 HA ASP 68 HA ASP 68 -10.780 -14.286 -3.175 489 1HB ASP 68 1HB ASP 68 -13.523 -13.296 -2.316 490 2HB ASP 68 2HB ASP 68 -12.843 -14.905 -2.239 491 H GLY 69 H GLY 69 -9.807 -13.623 -4.934 492 1HA GLY 69 1HA GLY 69 -10.761 -12.214 -7.167 493 2HA GLY 69 2HA GLY 69 -10.255 -10.880 -6.125 494 H SER 70 H SER 70 -8.493 -10.129 -7.057 495 HA SER 70 HA SER 70 -6.161 -12.001 -7.744 496 1HB SER 70 1HB SER 70 -6.950 -9.285 -8.909 497 2HB SER 70 2HB SER 70 -6.827 -10.842 -9.733 498 HG SER 70 HG SER 70 -5.044 -9.334 -9.963 499 H GLY 71 H GLY 71 -4.117 -11.478 -6.992 500 1HA GLY 71 1HA GLY 71 -2.799 -11.029 -4.917 501 2HA GLY 71 2HA GLY 71 -4.022 -9.850 -4.432 502 H THR 72 H THR 72 -4.045 -7.790 -5.343 503 HA THR 72 HA THR 72 -1.357 -6.779 -6.257 504 HB THR 72 HB THR 72 -1.888 -5.810 -8.255 505 HG1 THR 72 HG1 THR 72 -3.827 -5.127 -8.834 506 1HG2 THR 72 1HG2 THR 72 -3.618 -7.370 -9.582 507 2HG2 THR 72 2HG2 THR 72 -2.008 -7.979 -9.140 508 3HG2 THR 72 3HG2 THR 72 -3.434 -8.437 -8.172 509 H ILE 73 H ILE 73 -1.130 -4.496 -5.979 510 HA ILE 73 HA ILE 73 -3.218 -3.006 -4.462 511 HB ILE 73 HB ILE 73 -1.785 -4.494 -2.806 512 1HG1 ILE 73 1HG1 ILE 73 -2.497 -1.600 -2.058 513 2HG1 ILE 73 2HG1 ILE 73 -3.686 -2.861 -2.328 514 1HG2 ILE 73 1HG2 ILE 73 0.113 -3.376 -1.695 515 2HG2 ILE 73 2HG2 ILE 73 0.493 -3.578 -3.411 516 3HG2 ILE 73 3HG2 ILE 73 0.008 -1.981 -2.793 517 1HD1 ILE 73 1HD1 ILE 73 -2.843 -2.349 0.161 518 2HD1 ILE 73 2HD1 ILE 73 -3.208 -4.011 -0.348 519 3HD1 ILE 73 3HD1 ILE 73 -1.517 -3.461 -0.276 520 H ASP 74 H ASP 74 -2.907 -0.795 -4.488 521 HA ASP 74 HA ASP 74 -0.783 0.206 -6.451 522 1HB ASP 74 1HB ASP 74 -2.528 2.228 -6.610 523 2HB ASP 74 2HB ASP 74 -2.662 0.787 -7.591 524 H PHE 75 H PHE 75 -0.827 2.844 -6.042 525 HA PHE 75 HA PHE 75 0.730 3.172 -3.532 526 1HB PHE 75 1HB PHE 75 1.450 4.261 -5.636 527 2HB PHE 75 2HB PHE 75 -0.021 5.194 -5.726 528 HD1 PHE 75 HD1 PHE 75 1.855 4.605 -2.503 529 HD2 PHE 75 HD2 PHE 75 1.007 7.404 -5.659 530 HE1 PHE 75 HE1 PHE 75 3.027 6.376 -1.261 531 HE2 PHE 75 HE2 PHE 75 2.204 9.157 -4.410 532 HZ PHE 75 HZ PHE 75 3.193 8.655 -2.204 533 H GLU 76 H GLU 76 -2.465 4.042 -4.729 534 HA GLU 76 HA GLU 76 -3.277 5.905 -2.612 535 1HB GLU 76 1HB GLU 76 -5.243 4.167 -4.169 536 2HB GLU 76 2HB GLU 76 -5.522 5.731 -3.431 537 1HG GLU 76 1HG GLU 76 -4.023 5.090 -6.022 538 2HG GLU 76 2HG GLU 76 -3.659 6.586 -5.178 539 H GLU 77 H GLU 77 -3.907 2.431 -3.126 540 HA GLU 77 HA GLU 77 -5.278 1.859 -0.589 541 1HB GLU 77 1HB GLU 77 -4.366 -0.576 -1.052 542 2HB GLU 77 2HB GLU 77 -3.835 0.075 -2.590 543 1HG GLU 77 1HG GLU 77 -6.340 0.881 -2.907 544 2HG GLU 77 2HG GLU 77 -5.940 -0.812 -3.145 545 H PHE 78 H PHE 78 -1.906 2.051 -1.584 546 HA PHE 78 HA PHE 78 -0.596 0.732 0.632 547 1HB PHE 78 1HB PHE 78 0.676 1.236 -1.364 548 2HB PHE 78 2HB PHE 78 0.381 2.951 -1.246 549 HD1 PHE 78 HD1 PHE 78 2.214 4.246 -0.464 550 HD2 PHE 78 HD2 PHE 78 1.861 0.192 0.933 551 HE1 PHE 78 HE1 PHE 78 4.341 4.469 0.754 552 HE2 PHE 78 HE2 PHE 78 3.985 0.437 2.151 553 HZ PHE 78 HZ PHE 78 5.244 2.560 2.039 554 H LEU 79 H LEU 79 -1.771 4.042 0.213 555 HA LEU 79 HA LEU 79 -0.732 5.154 2.763 556 1HB LEU 79 1HB LEU 79 -3.096 6.217 1.112 557 2HB LEU 79 2HB LEU 79 -2.191 7.090 2.330 558 HG LEU 79 HG LEU 79 -0.695 6.024 -0.113 559 1HD1 LEU 79 1HD1 LEU 79 -0.304 8.610 1.523 560 2HD1 LEU 79 2HD1 LEU 79 0.562 7.094 1.833 561 3HD1 LEU 79 3HD1 LEU 79 0.797 7.948 0.287 562 1HD2 LEU 79 1HD2 LEU 79 -1.250 8.002 -1.460 563 2HD2 LEU 79 2HD2 LEU 79 -2.789 7.254 -0.968 564 3HD2 LEU 79 3HD2 LEU 79 -2.215 8.709 -0.140 565 H VAL 80 H VAL 80 -3.673 3.541 1.682 566 HA VAL 80 HA VAL 80 -5.416 4.094 3.948 567 HB VAL 80 HB VAL 80 -5.458 2.039 1.746 568 1HG1 VAL 80 1HG1 VAL 80 -7.700 3.903 2.746 569 2HG1 VAL 80 2HG1 VAL 80 -6.497 4.398 1.548 570 3HG1 VAL 80 3HG1 VAL 80 -7.599 3.051 1.184 571 1HG2 VAL 80 1HG2 VAL 80 -7.408 0.830 2.609 572 2HG2 VAL 80 2HG2 VAL 80 -6.126 0.689 3.834 573 3HG2 VAL 80 3HG2 VAL 80 -7.459 1.825 4.084 574 H MET 81 H MET 81 -2.943 1.656 3.331 575 HA MET 81 HA MET 81 -3.493 -0.076 5.668 576 1HB MET 81 1HB MET 81 -1.362 -1.211 5.138 577 2HB MET 81 2HB MET 81 -0.884 0.088 4.060 578 1HG MET 81 1HG MET 81 -3.171 -0.542 2.756 579 2HG MET 81 2HG MET 81 -1.669 -1.442 2.490 580 1HE MET 81 1HE MET 81 -5.432 -1.760 3.459 581 2HE MET 81 2HE MET 81 -4.717 -2.384 1.943 582 3HE MET 81 3HE MET 81 -5.406 -3.522 3.137 583 H MET 82 H MET 82 -1.378 2.665 4.983 584 HA MET 82 HA MET 82 0.383 2.524 7.310 585 1HB MET 82 1HB MET 82 -0.201 4.562 5.201 586 2HB MET 82 2HB MET 82 0.278 5.257 6.738 587 1HG MET 82 1HG MET 82 2.446 4.174 6.713 588 2HG MET 82 2HG MET 82 2.189 4.815 5.083 589 1HE MET 82 1HE MET 82 4.167 2.120 6.237 590 2HE MET 82 2HE MET 82 4.143 1.326 4.635 591 3HE MET 82 3HE MET 82 4.334 3.100 4.747 592 H VAL 83 H VAL 83 -2.421 4.665 6.692 593 HA VAL 83 HA VAL 83 -2.676 5.729 9.399 594 HB VAL 83 HB VAL 83 -4.591 5.664 7.041 595 1HG1 VAL 83 1HG1 VAL 83 -3.414 8.080 8.552 596 2HG1 VAL 83 2HG1 VAL 83 -2.632 7.342 7.147 597 3HG1 VAL 83 3HG1 VAL 83 -4.244 8.075 6.974 598 1HG2 VAL 83 1HG2 VAL 83 -6.305 6.938 8.225 599 2HG2 VAL 83 2HG2 VAL 83 -6.013 5.474 9.192 600 3HG2 VAL 83 3HG2 VAL 83 -5.327 7.019 9.713 601 NH1 ARG 84 NH1 ARG 84 -8.950 -0.932 8.152 602 NH2 ARG 84 NH2 ARG 84 -9.120 -0.714 5.897 603 H ARG 84 H ARG 84 -3.955 2.874 7.767 604 HA ARG 84 HA ARG 84 -5.962 1.937 9.683 605 1HB ARG 84 1HB ARG 84 -5.892 0.875 7.514 606 2HB ARG 84 2HB ARG 84 -4.191 0.462 7.674 607 1HG ARG 84 1HG ARG 84 -4.584 -1.312 9.225 608 2HG ARG 84 2HG ARG 84 -6.190 -0.724 9.662 609 1HD ARG 84 1HD ARG 84 -5.339 -2.268 7.172 610 2HD ARG 84 2HD ARG 84 -6.704 -2.564 8.245 611 HE ARG 84 HE ARG 84 -6.645 -0.536 5.997 612 1HH1 ARG 84 1HH1 ARG 84 -9.967 -0.792 8.163 613 2HH1 ARG 84 2HH1 ARG 84 -8.343 -1.088 8.964 614 1HH2 ARG 84 1HH2 ARG 84 -8.636 -0.632 4.996 615 2HH2 ARG 84 2HH2 ARG 84 -10.131 -0.660 6.059 616 H GLN 85 H GLN 85 -2.437 1.696 9.559 617 HA GLN 85 HA GLN 85 -2.175 -0.338 11.742 618 1HB GLN 85 1HB GLN 85 -0.494 0.485 9.682 619 2HB GLN 85 2HB GLN 85 0.220 1.322 11.050 620 1HG GLN 85 1HG GLN 85 1.401 -0.730 10.947 621 2HG GLN 85 2HG GLN 85 0.315 -0.931 12.305 622 1HE2 GLN 85 1HE2 GLN 85 -1.507 -3.642 10.748 623 2HE2 GLN 85 2HE2 GLN 85 -1.374 -2.472 12.156 624 H MET 86 H MET 86 -1.772 3.170 11.370 625 HA MET 86 HA MET 86 -0.600 3.782 13.983 626 1HB MET 86 1HB MET 86 -1.862 5.406 11.782 627 2HB MET 86 2HB MET 86 -1.914 6.130 13.379 628 1HG MET 86 1HG MET 86 0.320 6.044 11.537 629 2HG MET 86 2HG MET 86 0.797 5.115 12.967 630 1HE MET 86 1HE MET 86 0.923 9.053 11.839 631 2HE MET 86 2HE MET 86 -0.601 8.207 11.442 632 3HE MET 86 3HE MET 86 -0.593 9.490 12.687 633 H LYS 87 H LYS 87 -3.905 3.417 12.819 634 HA LYS 87 HA LYS 87 -5.335 4.443 15.207 635 1HB LYS 87 1HB LYS 87 -6.110 2.982 12.697 636 2HB LYS 87 2HB LYS 87 -7.133 2.636 14.076 637 1HG LYS 87 1HG LYS 87 -7.698 4.619 12.400 638 2HG LYS 87 2HG LYS 87 -6.511 5.536 13.306 639 1HD LYS 87 1HD LYS 87 -8.699 6.079 14.230 640 2HD LYS 87 2HD LYS 87 -9.169 4.388 14.291 641 1HE LYS 87 1HE LYS 87 -7.731 3.900 16.187 642 2HE LYS 87 2HE LYS 87 -6.857 5.426 16.039 643 1HZ LYS 87 1HZ LYS 87 -8.887 5.056 17.711 644 2HZ LYS 87 2HZ LYS 87 -8.524 6.542 17.086 645 3HZ LYS 87 3HZ LYS 87 -9.748 5.647 16.431 646 H GLU 88 H GLU 88 -4.404 1.200 14.030 647 HA GLU 88 HA GLU 88 -4.108 -0.908 15.140 648 1HB GLU 88 1HB GLU 88 -2.397 0.560 16.353 649 2HB GLU 88 2HB GLU 88 -3.564 0.765 17.645 650 1HG GLU 88 1HG GLU 88 -3.509 -2.028 17.438 651 2HG GLU 88 2HG GLU 88 -1.871 -1.626 16.951 652 H ASP 89 H ASP 89 -6.291 -1.396 14.795 653 HA ASP 89 HA ASP 89 -8.002 -1.483 17.324 654 1HB ASP 89 1HB ASP 89 -9.314 -1.017 14.598 655 2HB ASP 89 2HB ASP 89 -8.793 0.318 15.601 656 H ALA 90 H ALA 90 -7.283 -3.555 17.651 657 HA ALA 90 HA ALA 90 -8.130 -5.713 15.635 658 1HB ALA 90 1HB ALA 90 -6.284 -6.390 17.965 659 2HB ALA 90 2HB ALA 90 -6.368 -7.108 16.344 660 3HB ALA 90 3HB ALA 90 -5.585 -5.525 16.574 Start of MODEL 26 Raw file had 660 H/Q atoms Start of MODEL 26 1 1H ALA 1 1H ALA 1 -18.733 0.447 10.043 2 2H ALA 1 2H ALA 1 -19.450 1.910 10.462 3 3H ALA 1 3H ALA 1 -19.891 0.497 11.262 4 HA ALA 1 HA ALA 1 -21.088 -0.345 9.548 5 1HB ALA 1 1HB ALA 1 -22.612 1.264 10.185 6 2HB ALA 1 2HB ALA 1 -21.453 2.600 10.054 7 3HB ALA 1 3HB ALA 1 -22.270 1.985 8.594 8 H SER 2 H SER 2 -19.854 -1.261 7.964 9 HA SER 2 HA SER 2 -19.086 -1.620 5.709 10 1HB SER 2 1HB SER 2 -20.856 0.738 5.512 11 2HB SER 2 2HB SER 2 -19.576 0.771 4.296 12 HG SER 2 HG SER 2 -21.348 -0.400 3.599 13 H MET 3 H MET 3 -18.576 1.850 5.510 14 HA MET 3 HA MET 3 -16.579 3.187 5.236 15 1HB MET 3 1HB MET 3 -15.835 1.402 7.618 16 2HB MET 3 2HB MET 3 -16.594 2.986 7.658 17 1HG MET 3 1HG MET 3 -14.363 3.878 6.532 18 2HG MET 3 2HG MET 3 -13.667 2.328 7.038 19 1HE MET 3 1HE MET 3 -14.650 1.399 9.709 20 2HE MET 3 2HE MET 3 -12.914 1.738 9.442 21 3HE MET 3 3HE MET 3 -13.728 2.363 10.905 22 H THR 4 H THR 4 -16.914 0.736 3.648 23 HA THR 4 HA THR 4 -14.114 -0.244 3.113 24 HB THR 4 HB THR 4 -16.277 -0.850 1.125 25 HG1 THR 4 HG1 THR 4 -16.250 -2.331 3.478 26 1HG2 THR 4 1HG2 THR 4 -15.366 -3.141 1.201 27 2HG2 THR 4 2HG2 THR 4 -14.036 -1.998 0.912 28 3HG2 THR 4 3HG2 THR 4 -14.256 -2.725 2.524 29 H ASP 5 H ASP 5 -15.228 2.665 2.770 30 HA ASP 5 HA ASP 5 -13.888 3.174 0.098 31 1HB ASP 5 1HB ASP 5 -16.744 4.147 0.673 32 2HB ASP 5 2HB ASP 5 -15.730 4.810 -0.589 33 H GLN 6 H GLN 6 -13.561 3.674 3.122 34 HA GLN 6 HA GLN 6 -13.234 6.689 3.248 35 1HB GLN 6 1HB GLN 6 -13.121 4.434 5.230 36 2HB GLN 6 2HB GLN 6 -11.943 5.705 5.504 37 1HG GLN 6 1HG GLN 6 -13.966 7.391 5.280 38 2HG GLN 6 2HG GLN 6 -13.703 6.522 6.777 39 1HE2 GLN 6 1HE2 GLN 6 -16.966 5.084 6.671 40 2HE2 GLN 6 2HE2 GLN 6 -15.570 5.792 7.627 41 H GLN 7 H GLN 7 -11.877 5.654 1.119 42 HA GLN 7 HA GLN 7 -9.052 4.842 1.706 43 1HB GLN 7 1HB GLN 7 -9.652 5.887 -1.036 44 2HB GLN 7 2HB GLN 7 -8.813 4.433 -0.522 45 1HG GLN 7 1HG GLN 7 -11.115 3.411 0.076 46 2HG GLN 7 2HG GLN 7 -11.865 4.802 -0.679 47 1HE2 GLN 7 1HE2 GLN 7 -11.294 1.845 -3.140 48 2HE2 GLN 7 2HE2 GLN 7 -11.830 1.881 -1.386 49 H ALA 8 H ALA 8 -10.852 7.773 0.892 50 HA ALA 8 HA ALA 8 -8.508 9.543 0.467 51 1HB ALA 8 1HB ALA 8 -10.295 10.464 -0.635 52 2HB ALA 8 2HB ALA 8 -11.499 9.866 0.522 53 3HB ALA 8 3HB ALA 8 -10.551 11.326 0.900 54 H GLU 9 H GLU 9 -10.534 8.613 3.187 55 HA GLU 9 HA GLU 9 -10.094 10.732 5.077 56 1HB GLU 9 1HB GLU 9 -11.594 8.532 5.214 57 2HB GLU 9 2HB GLU 9 -10.225 7.871 6.086 58 1HG GLU 9 1HG GLU 9 -10.447 10.089 7.592 59 2HG GLU 9 2HG GLU 9 -11.467 8.689 7.876 60 H ALA 10 H ALA 10 -8.078 7.959 4.219 61 HA ALA 10 HA ALA 10 -6.168 7.936 6.391 62 1HB ALA 10 1HB ALA 10 -4.665 6.693 4.842 63 2HB ALA 10 2HB ALA 10 -6.331 6.092 4.746 64 3HB ALA 10 3HB ALA 10 -5.685 7.131 3.450 65 NH1 ARG 11 NH1 ARG 11 -4.991 13.641 -2.491 66 NH2 ARG 11 NH2 ARG 11 -3.256 12.178 -2.424 67 H ARG 11 H ARG 11 -6.081 9.647 3.260 68 HA ARG 11 HA ARG 11 -3.398 10.897 3.637 69 1HB ARG 11 1HB ARG 11 -3.842 12.117 1.561 70 2HB ARG 11 2HB ARG 11 -4.250 10.417 1.380 71 1HG ARG 11 1HG ARG 11 -6.565 10.785 1.222 72 2HG ARG 11 2HG ARG 11 -6.522 12.286 2.148 73 1HD ARG 11 1HD ARG 11 -5.609 13.562 0.278 74 2HD ARG 11 2HD ARG 11 -6.967 12.628 -0.347 75 HE ARG 11 HE ARG 11 -4.881 10.898 -0.952 76 1HH1 ARG 11 1HH1 ARG 11 -2.824 12.779 -3.135 77 2HH1 ARG 11 2HH1 ARG 11 -2.876 11.304 -2.044 78 1HH2 ARG 11 1HH2 ARG 11 -5.843 13.995 -2.041 79 2HH2 ARG 11 2HH2 ARG 11 -4.534 14.023 -3.327 80 H ALA 12 H ALA 12 -6.764 11.805 4.162 81 HA ALA 12 HA ALA 12 -6.653 14.625 4.619 82 1HB ALA 12 1HB ALA 12 -8.622 14.363 6.115 83 2HB ALA 12 2HB ALA 12 -8.784 13.363 4.658 84 3HB ALA 12 3HB ALA 12 -8.355 12.606 6.212 85 H PHE 13 H PHE 13 -5.599 11.969 6.690 86 HA PHE 13 HA PHE 13 -5.163 13.567 9.155 87 1HB PHE 13 1HB PHE 13 -5.645 11.090 9.160 88 2HB PHE 13 2HB PHE 13 -4.093 10.770 8.433 89 HD1 PHE 13 HD1 PHE 13 -3.965 13.570 10.788 90 HD2 PHE 13 HD2 PHE 13 -3.852 9.273 10.561 91 HE1 PHE 13 HE1 PHE 13 -2.929 13.467 13.018 92 HE2 PHE 13 HE2 PHE 13 -2.838 9.191 12.799 93 HZ PHE 13 HZ PHE 13 -2.340 11.283 14.016 94 H LEU 14 H LEU 14 -2.991 12.017 6.771 95 HA LEU 14 HA LEU 14 -0.518 13.333 7.793 96 1HB LEU 14 1HB LEU 14 -0.212 11.156 6.848 97 2HB LEU 14 2HB LEU 14 0.594 12.294 5.791 98 HG LEU 14 HG LEU 14 -2.250 11.471 5.066 99 1HD1 LEU 14 1HD1 LEU 14 0.180 9.672 4.454 100 2HD1 LEU 14 2HD1 LEU 14 -1.042 9.310 5.686 101 3HD1 LEU 14 3HD1 LEU 14 -1.511 9.388 3.969 102 1HD2 LEU 14 1HD2 LEU 14 -1.481 11.791 2.752 103 2HD2 LEU 14 2HD2 LEU 14 -0.928 13.198 3.693 104 3HD2 LEU 14 3HD2 LEU 14 0.219 11.918 3.270 105 H SER 15 H SER 15 0.883 14.474 6.081 106 HA SER 15 HA SER 15 -0.707 16.785 4.895 107 1HB SER 15 1HB SER 15 1.810 17.719 4.723 108 2HB SER 15 2HB SER 15 0.861 17.813 6.209 109 HG SER 15 HG SER 15 2.477 15.571 5.613 110 H GLU 16 H GLU 16 0.149 17.701 2.853 111 HA GLU 16 HA GLU 16 0.170 15.737 0.657 112 1HB GLU 16 1HB GLU 16 0.923 17.939 -0.682 113 2HB GLU 16 2HB GLU 16 0.448 18.751 0.796 114 1HG GLU 16 1HG GLU 16 -1.556 18.855 -0.403 115 2HG GLU 16 2HG GLU 16 -1.842 17.397 0.531 116 H GLU 17 H GLU 17 2.617 17.528 2.420 117 HA GLU 17 HA GLU 17 4.878 17.024 0.545 118 1HB GLU 17 1HB GLU 17 4.667 18.946 2.308 119 2HB GLU 17 2HB GLU 17 5.265 17.781 3.474 120 1HG GLU 17 1HG GLU 17 7.281 17.443 1.737 121 2HG GLU 17 2HG GLU 17 7.269 18.798 2.853 122 H MET 18 H MET 18 3.533 15.489 3.416 123 HA MET 18 HA MET 18 5.618 13.496 3.963 124 1HB MET 18 1HB MET 18 3.755 14.055 5.568 125 2HB MET 18 2HB MET 18 2.604 13.260 4.510 126 1HG MET 18 1HG MET 18 3.491 11.060 4.962 127 2HG MET 18 2HG MET 18 5.014 11.701 5.598 128 1HE MET 18 1HE MET 18 5.056 13.250 8.113 129 2HE MET 18 2HE MET 18 4.503 11.997 9.264 130 3HE MET 18 3HE MET 18 5.535 11.539 7.878 131 H ILE 19 H ILE 19 2.879 13.655 1.749 132 HA ILE 19 HA ILE 19 2.771 10.867 0.867 133 HB ILE 19 HB ILE 19 1.976 13.337 -0.760 134 1HG1 ILE 19 1HG1 ILE 19 0.598 11.934 1.526 135 2HG1 ILE 19 2HG1 ILE 19 0.451 13.588 0.972 136 1HG2 ILE 19 1HG2 ILE 19 0.529 11.779 -2.083 137 2HG2 ILE 19 2HG2 ILE 19 2.219 11.291 -2.202 138 3HG2 ILE 19 3HG2 ILE 19 1.117 10.391 -1.136 139 1HD1 ILE 19 1HD1 ILE 19 -0.986 11.200 -0.327 140 2HD1 ILE 19 2HD1 ILE 19 -1.698 12.496 0.658 141 3HD1 ILE 19 3HD1 ILE 19 -1.028 12.873 -0.947 142 H ALA 20 H ALA 20 4.601 13.705 -0.245 143 HA ALA 20 HA ALA 20 5.808 12.618 -2.650 144 1HB ALA 20 1HB ALA 20 7.008 14.587 -2.754 145 2HB ALA 20 2HB ALA 20 5.787 15.091 -1.570 146 3HB ALA 20 3HB ALA 20 7.414 14.612 -1.022 147 H GLU 21 H GLU 21 6.686 12.390 0.759 148 HA GLU 21 HA GLU 21 9.417 11.303 0.394 149 1HB GLU 21 1HB GLU 21 7.638 11.896 2.719 150 2HB GLU 21 2HB GLU 21 9.323 12.291 2.444 151 1HG GLU 21 1HG GLU 21 10.014 9.961 3.079 152 2HG GLU 21 2HG GLU 21 8.333 9.479 3.243 153 H PHE 22 H PHE 22 6.185 9.973 0.807 154 HA PHE 22 HA PHE 22 6.882 7.165 1.324 155 1HB PHE 22 1HB PHE 22 4.325 8.450 0.216 156 2HB PHE 22 2HB PHE 22 4.470 6.723 0.414 157 HD1 PHE 22 HD1 PHE 22 2.666 8.995 1.865 158 HD2 PHE 22 HD2 PHE 22 6.137 6.752 3.069 159 HE1 PHE 22 HE1 PHE 22 1.992 9.196 4.221 160 HE2 PHE 22 HE2 PHE 22 5.447 6.968 5.421 161 HZ PHE 22 HZ PHE 22 3.397 8.218 6.004 162 H LYS 23 H LYS 23 6.087 8.998 -1.623 163 HA LYS 23 HA LYS 23 6.156 7.031 -3.675 164 1HB LYS 23 1HB LYS 23 7.106 8.832 -5.216 165 2HB LYS 23 2HB LYS 23 7.328 9.876 -3.828 166 1HG LYS 23 1HG LYS 23 4.692 8.871 -5.029 167 2HG LYS 23 2HG LYS 23 4.736 9.559 -3.418 168 1HD LYS 23 1HD LYS 23 5.728 11.717 -4.412 169 2HD LYS 23 2HD LYS 23 5.590 10.988 -6.003 170 1HE LYS 23 1HE LYS 23 3.065 11.135 -4.301 171 2HE LYS 23 2HE LYS 23 3.648 12.615 -5.065 172 1HZ LYS 23 1HZ LYS 23 3.746 10.975 -7.151 173 2HZ LYS 23 2HZ LYS 23 2.558 10.199 -6.305 174 3HZ LYS 23 3HZ LYS 23 2.366 11.783 -6.735 175 H ALA 24 H ALA 24 8.823 8.493 -1.885 176 HA ALA 24 HA ALA 24 11.119 7.795 -3.446 177 1HB ALA 24 1HB ALA 24 12.433 7.923 -1.338 178 2HB ALA 24 2HB ALA 24 11.257 9.247 -1.442 179 3HB ALA 24 3HB ALA 24 10.942 7.861 -0.367 180 H ALA 25 H ALA 25 10.385 6.004 -0.459 181 HA ALA 25 HA ALA 25 11.977 3.684 -0.952 182 1HB ALA 25 1HB ALA 25 10.632 2.534 0.797 183 2HB ALA 25 2HB ALA 25 11.022 4.196 1.277 184 3HB ALA 25 3HB ALA 25 9.380 3.796 0.711 185 H PHE 26 H PHE 26 8.637 4.362 -1.898 186 HA PHE 26 HA PHE 26 7.683 1.784 -2.698 187 1HB PHE 26 1HB PHE 26 6.458 4.122 -2.630 188 2HB PHE 26 2HB PHE 26 6.963 4.302 -4.290 189 HD1 PHE 26 HD1 PHE 26 4.059 4.038 -3.091 190 HD2 PHE 26 HD2 PHE 26 6.679 1.152 -4.911 191 HE1 PHE 26 HE1 PHE 26 2.113 2.782 -3.926 192 HE2 PHE 26 HE2 PHE 26 4.721 -0.094 -5.732 193 HZ PHE 26 HZ PHE 26 2.439 0.714 -5.239 194 H ASP 27 H ASP 27 9.404 4.233 -4.647 195 HA ASP 27 HA ASP 27 9.573 2.655 -7.127 196 1HB ASP 27 1HB ASP 27 11.295 5.059 -6.293 197 2HB ASP 27 2HB ASP 27 9.747 5.150 -7.100 198 H MET 28 H MET 28 11.548 2.940 -4.245 199 HA MET 28 HA MET 28 14.075 1.847 -4.947 200 1HB MET 28 1HB MET 28 12.943 0.626 -2.443 201 2HB MET 28 2HB MET 28 12.867 2.378 -2.517 202 1HG MET 28 1HG MET 28 15.520 0.966 -3.135 203 2HG MET 28 2HG MET 28 15.250 2.630 -2.594 204 1HE MET 28 1HE MET 28 13.865 3.176 -0.463 205 2HE MET 28 2HE MET 28 12.887 1.778 0.073 206 3HE MET 28 3HE MET 28 14.218 2.380 1.103 207 H PHE 29 H PHE 29 10.976 0.202 -4.594 208 HA PHE 29 HA PHE 29 12.173 -2.536 -5.217 209 1HB PHE 29 1HB PHE 29 9.256 -1.825 -4.503 210 2HB PHE 29 2HB PHE 29 9.867 -3.430 -4.795 211 HD1 PHE 29 HD1 PHE 29 11.881 -0.925 -2.859 212 HD2 PHE 29 HD2 PHE 29 9.251 -4.324 -2.605 213 HE1 PHE 29 HE1 PHE 29 12.486 -1.233 -0.493 214 HE2 PHE 29 HE2 PHE 29 9.865 -4.608 -0.239 215 HZ PHE 29 HZ PHE 29 11.478 -3.068 0.820 216 H ASP 30 H ASP 30 10.024 -0.032 -6.472 217 HA ASP 30 HA ASP 30 9.334 -1.532 -8.977 218 1HB ASP 30 1HB ASP 30 8.472 1.019 -9.534 219 2HB ASP 30 2HB ASP 30 8.493 1.104 -7.787 220 H ALA 31 H ALA 31 11.313 -1.946 -9.899 221 HA ALA 31 HA ALA 31 13.610 -0.274 -10.315 222 1HB ALA 31 1HB ALA 31 14.165 -1.769 -12.238 223 2HB ALA 31 2HB ALA 31 13.614 -2.692 -10.826 224 3HB ALA 31 3HB ALA 31 12.523 -2.455 -12.217 225 H ASP 32 H ASP 32 11.493 -1.046 -13.050 226 HA ASP 32 HA ASP 32 11.637 1.858 -14.016 227 1HB ASP 32 1HB ASP 32 11.688 -0.647 -15.795 228 2HB ASP 32 2HB ASP 32 13.093 0.291 -15.344 229 H GLY 33 H GLY 33 9.648 1.964 -12.690 230 1HA GLY 33 1HA GLY 33 7.282 2.110 -14.460 231 2HA GLY 33 2HA GLY 33 7.099 0.743 -13.356 232 H GLY 34 H GLY 34 6.865 1.071 -11.155 233 1HA GLY 34 1HA GLY 34 6.771 3.851 -9.946 234 2HA GLY 34 2HA GLY 34 6.532 2.323 -9.085 235 H GLY 35 H GLY 35 4.552 1.488 -8.823 236 1HA GLY 35 1HA GLY 35 2.122 2.125 -10.388 237 2HA GLY 35 2HA GLY 35 2.159 3.139 -8.943 238 H ASP 36 H ASP 36 3.428 -0.151 -9.224 239 HA ASP 36 HA ASP 36 1.761 -1.147 -6.918 240 1HB ASP 36 1HB ASP 36 0.964 -1.693 -9.742 241 2HB ASP 36 2HB ASP 36 0.013 -1.680 -8.275 242 H ILE 37 H ILE 37 2.399 -3.231 -6.221 243 HA ILE 37 HA ILE 37 4.861 -4.555 -7.418 244 HB ILE 37 HB ILE 37 5.534 -4.496 -4.694 245 1HG1 ILE 37 1HG1 ILE 37 5.347 -1.538 -5.400 246 2HG1 ILE 37 2HG1 ILE 37 3.891 -2.300 -4.796 247 1HG2 ILE 37 1HG2 ILE 37 7.586 -3.308 -5.480 248 2HG2 ILE 37 2HG2 ILE 37 7.106 -4.540 -6.656 249 3HG2 ILE 37 3HG2 ILE 37 6.772 -2.824 -6.988 250 1HD1 ILE 37 1HD1 ILE 37 6.547 -2.188 -3.254 251 2HD1 ILE 37 2HD1 ILE 37 5.051 -1.292 -2.913 252 3HD1 ILE 37 3HD1 ILE 37 5.089 -3.058 -2.706 253 H SER 38 H SER 38 5.361 -6.489 -5.805 254 HA SER 38 HA SER 38 2.953 -8.229 -5.717 255 1HB SER 38 1HB SER 38 5.327 -9.011 -6.224 256 2HB SER 38 2HB SER 38 5.709 -8.829 -4.510 257 HG SER 38 HG SER 38 3.382 -10.221 -5.176 258 H THR 39 H THR 39 2.226 -9.320 -3.792 259 HA THR 39 HA THR 39 1.768 -7.453 -1.484 260 HB THR 39 HB THR 39 -0.014 -8.750 -0.812 261 HG1 THR 39 HG1 THR 39 -0.190 -10.879 -1.076 262 1HG2 THR 39 1HG2 THR 39 -1.368 -9.439 -2.742 263 2HG2 THR 39 2HG2 THR 39 -0.490 -7.952 -3.166 264 3HG2 THR 39 3HG2 THR 39 0.064 -9.527 -3.794 265 H LYS 40 H LYS 40 3.563 -10.386 -2.225 266 HA LYS 40 HA LYS 40 4.102 -11.381 0.469 267 1HB LYS 40 1HB LYS 40 5.085 -11.953 -2.263 268 2HB LYS 40 2HB LYS 40 4.777 -13.046 -0.931 269 1HG LYS 40 1HG LYS 40 7.345 -11.482 -1.532 270 2HG LYS 40 2HG LYS 40 7.080 -12.192 0.048 271 1HD LYS 40 1HD LYS 40 8.480 -13.622 -1.553 272 2HD LYS 40 2HD LYS 40 7.121 -14.436 -0.796 273 1HE LYS 40 1HE LYS 40 6.622 -13.201 -3.531 274 2HE LYS 40 2HE LYS 40 7.600 -14.669 -3.463 275 1HZ LYS 40 1HZ LYS 40 5.600 -15.672 -3.475 276 2HZ LYS 40 2HZ LYS 40 5.495 -15.300 -1.869 277 3HZ LYS 40 3HZ LYS 40 4.767 -14.330 -2.991 278 H GLU 41 H GLU 41 5.613 -8.936 -1.566 279 HA GLU 41 HA GLU 41 7.890 -8.462 0.378 280 1HB GLU 41 1HB GLU 41 8.728 -6.851 -1.399 281 2HB GLU 41 2HB GLU 41 7.374 -7.308 -2.413 282 1HG GLU 41 1HG GLU 41 8.365 -9.822 -1.985 283 2HG GLU 41 2HG GLU 41 8.907 -8.787 -3.295 284 H LEU 42 H LEU 42 4.900 -7.030 -0.754 285 HA LEU 42 HA LEU 42 4.965 -4.314 -0.287 286 1HB LEU 42 1HB LEU 42 2.798 -4.680 -0.768 287 2HB LEU 42 2HB LEU 42 2.878 -6.345 -0.234 288 HG LEU 42 HG LEU 42 2.612 -5.308 2.225 289 1HD1 LEU 42 1HD1 LEU 42 1.223 -3.216 2.261 290 2HD1 LEU 42 2HD1 LEU 42 2.833 -2.907 1.593 291 3HD1 LEU 42 3HD1 LEU 42 1.432 -3.030 0.501 292 1HD2 LEU 42 1HD2 LEU 42 0.226 -5.433 0.258 293 2HD2 LEU 42 2HD2 LEU 42 0.918 -6.810 1.152 294 3HD2 LEU 42 3HD2 LEU 42 0.123 -5.495 2.037 295 H GLY 43 H GLY 43 4.691 -6.789 2.269 296 1HA GLY 43 1HA GLY 43 4.980 -6.664 4.691 297 2HA GLY 43 2HA GLY 43 4.512 -4.966 4.558 298 H THR 44 H THR 44 7.288 -6.808 3.217 299 HA THR 44 HA THR 44 9.428 -5.884 4.778 300 HB THR 44 HB THR 44 9.317 -6.659 1.867 301 HG1 THR 44 HG1 THR 44 11.102 -7.971 2.970 302 1HG2 THR 44 1HG2 THR 44 11.795 -6.443 1.638 303 2HG2 THR 44 2HG2 THR 44 11.022 -4.850 1.771 304 3HG2 THR 44 3HG2 THR 44 11.874 -5.545 3.174 305 H VAL 45 H VAL 45 7.544 -4.156 2.387 306 HA VAL 45 HA VAL 45 9.383 -1.820 2.100 307 HB VAL 45 HB VAL 45 7.435 -2.836 0.460 308 1HG1 VAL 45 1HG1 VAL 45 5.598 -1.167 0.207 309 2HG1 VAL 45 2HG1 VAL 45 5.516 -1.933 1.798 310 3HG1 VAL 45 3HG1 VAL 45 6.164 -0.284 1.649 311 1HG2 VAL 45 1HG2 VAL 45 8.471 0.075 0.371 312 2HG2 VAL 45 2HG2 VAL 45 9.295 -1.344 -0.317 313 3HG2 VAL 45 3HG2 VAL 45 7.744 -0.820 -0.988 314 H MET 46 H MET 46 6.375 -2.625 3.808 315 HA MET 46 HA MET 46 5.800 -0.057 5.056 316 1HB MET 46 1HB MET 46 5.173 -2.886 6.086 317 2HB MET 46 2HB MET 46 4.581 -1.414 6.835 318 1HG MET 46 1HG MET 46 3.167 -2.807 4.943 319 2HG MET 46 2HG MET 46 4.014 -1.682 3.870 320 1HE MET 46 1HE MET 46 0.410 -1.683 5.301 321 2HE MET 46 2HE MET 46 1.535 -2.423 6.478 322 3HE MET 46 3HE MET 46 0.685 -0.905 6.891 323 NH1 ARG 47 NH1 ARG 47 10.866 -7.663 10.340 324 NH2 ARG 47 NH2 ARG 47 9.503 -7.993 8.552 325 H ARG 47 H ARG 47 8.169 -2.541 5.772 326 HA ARG 47 HA ARG 47 8.868 -1.371 8.500 327 1HB ARG 47 1HB ARG 47 8.660 -3.743 8.617 328 2HB ARG 47 2HB ARG 47 9.498 -3.999 7.093 329 1HG ARG 47 1HG ARG 47 11.636 -3.803 8.006 330 2HG ARG 47 2HG ARG 47 11.136 -2.680 9.273 331 1HD ARG 47 1HD ARG 47 11.768 -5.193 9.917 332 2HD ARG 47 2HD ARG 47 10.442 -4.383 10.748 333 HE ARG 47 HE ARG 47 8.922 -5.602 8.890 334 1HH1 ARG 47 1HH1 ARG 47 10.925 -8.686 10.386 335 2HH1 ARG 47 2HH1 ARG 47 11.348 -6.991 10.947 336 1HH2 ARG 47 1HH2 ARG 47 8.916 -7.577 7.821 337 2HH2 ARG 47 2HH2 ARG 47 9.692 -8.992 8.694 338 H MET 48 H MET 48 10.052 -1.629 5.212 339 HA MET 48 HA MET 48 12.898 -0.917 5.873 340 1HB MET 48 1HB MET 48 11.552 -1.248 3.126 341 2HB MET 48 2HB MET 48 12.355 -2.522 4.028 342 1HG MET 48 1HG MET 48 14.495 -0.910 3.949 343 2HG MET 48 2HG MET 48 13.620 -0.114 2.631 344 1HE MET 48 1HE MET 48 16.488 -2.624 1.217 345 2HE MET 48 2HE MET 48 16.321 -1.190 2.272 346 3HE MET 48 3HE MET 48 16.407 -2.822 2.996 347 H LEU 49 H LEU 49 10.286 0.921 6.092 348 HA LEU 49 HA LEU 49 11.579 3.435 4.897 349 1HB LEU 49 1HB LEU 49 9.467 3.542 3.984 350 2HB LEU 49 2HB LEU 49 9.199 4.426 5.472 351 HG LEU 49 HG LEU 49 8.590 1.429 5.403 352 1HD1 LEU 49 1HD1 LEU 49 6.882 2.046 7.120 353 2HD1 LEU 49 2HD1 LEU 49 8.494 2.592 7.617 354 3HD1 LEU 49 3HD1 LEU 49 7.319 3.767 6.975 355 1HD2 LEU 49 1HD2 LEU 49 6.679 3.629 4.363 356 2HD2 LEU 49 2HD2 LEU 49 7.401 2.321 3.394 357 3HD2 LEU 49 3HD2 LEU 49 6.237 1.930 4.668 358 H GLY 50 H GLY 50 10.095 1.927 7.742 359 1HA GLY 50 1HA GLY 50 11.907 2.598 9.773 360 2HA GLY 50 2HA GLY 50 11.015 4.115 9.618 361 H GLN 51 H GLN 51 10.443 0.617 9.951 362 HA GLN 51 HA GLN 51 8.327 1.045 12.094 363 1HB GLN 51 1HB GLN 51 7.419 0.915 9.493 364 2HB GLN 51 2HB GLN 51 7.469 -0.797 9.874 365 1HG GLN 51 1HG GLN 51 5.818 -0.645 11.572 366 2HG GLN 51 2HG GLN 51 6.092 1.061 11.864 367 1HE2 GLN 51 1HE2 GLN 51 3.173 1.701 9.893 368 2HE2 GLN 51 2HE2 GLN 51 4.203 2.061 11.368 369 H ASN 52 H ASN 52 7.617 -1.112 12.931 370 HA ASN 52 HA ASN 52 9.819 -3.207 12.795 371 1HB ASN 52 1HB ASN 52 9.661 -3.311 15.396 372 2HB ASN 52 2HB ASN 52 8.864 -1.755 15.321 373 1HD2 ASN 52 1HD2 ASN 52 12.949 -2.092 14.853 374 2HD2 ASN 52 2HD2 ASN 52 11.843 -3.549 14.993 375 HA PRO 53 HA PRO 53 5.314 -4.972 13.360 376 1HB PRO 53 1HB PRO 53 4.680 -5.913 10.854 377 2HB PRO 53 2HB PRO 53 4.474 -4.227 11.351 378 1HG PRO 53 1HG PRO 53 5.821 -3.883 9.453 379 2HG PRO 53 2HG PRO 53 6.752 -5.385 9.654 380 1HD PRO 53 1HD PRO 53 8.326 -3.928 10.685 381 2HD PRO 53 2HD PRO 53 7.083 -2.682 11.006 382 H THR 54 H THR 54 4.607 -7.334 12.771 383 HA THR 54 HA THR 54 6.970 -9.225 13.158 384 HB THR 54 HB THR 54 5.820 -10.129 14.810 385 HG1 THR 54 HG1 THR 54 4.581 -11.653 14.222 386 1HG2 THR 54 1HG2 THR 54 3.564 -9.441 15.556 387 2HG2 THR 54 2HG2 THR 54 4.521 -8.002 15.135 388 3HG2 THR 54 3HG2 THR 54 3.265 -8.595 14.019 389 H LYS 55 H LYS 55 6.545 -11.457 12.213 390 HA LYS 55 HA LYS 55 6.249 -11.102 9.232 391 1HB LYS 55 1HB LYS 55 7.346 -13.340 11.002 392 2HB LYS 55 2HB LYS 55 8.208 -12.339 9.853 393 1HG LYS 55 1HG LYS 55 7.146 -14.952 9.458 394 2HG LYS 55 2HG LYS 55 6.077 -13.927 8.521 395 1HD LYS 55 1HD LYS 55 7.698 -14.422 6.898 396 2HD LYS 55 2HD LYS 55 8.305 -12.895 7.516 397 1HE LYS 55 1HE LYS 55 9.480 -15.659 7.841 398 2HE LYS 55 2HE LYS 55 10.299 -14.121 7.560 399 1HZ LYS 55 1HZ LYS 55 10.617 -15.095 9.818 400 2HZ LYS 55 2HZ LYS 55 10.023 -13.554 9.864 401 3HZ LYS 55 3HZ LYS 55 9.021 -14.834 10.157 402 H GLU 56 H GLU 56 4.713 -12.768 11.939 403 HA GLU 56 HA GLU 56 2.853 -14.432 10.301 404 1HB GLU 56 1HB GLU 56 1.922 -15.245 12.344 405 2HB GLU 56 2HB GLU 56 3.664 -15.188 12.526 406 1HG GLU 56 1HG GLU 56 2.216 -12.741 13.551 407 2HG GLU 56 2HG GLU 56 3.592 -13.596 14.229 408 H GLU 57 H GLU 57 2.800 -11.338 11.981 409 HA GLU 57 HA GLU 57 -0.097 -10.746 11.713 410 1HB GLU 57 1HB GLU 57 0.538 -8.369 12.197 411 2HB GLU 57 2HB GLU 57 2.235 -8.800 12.123 412 1HG GLU 57 1HG GLU 57 2.078 -10.183 14.146 413 2HG GLU 57 2HG GLU 57 0.323 -10.151 14.123 414 H LEU 58 H LEU 58 2.798 -10.310 9.753 415 HA LEU 58 HA LEU 58 1.733 -8.572 7.654 416 1HB LEU 58 1HB LEU 58 4.158 -8.945 7.922 417 2HB LEU 58 2HB LEU 58 3.993 -10.650 7.562 418 HG LEU 58 HG LEU 58 4.912 -9.083 5.696 419 1HD1 LEU 58 1HD1 LEU 58 3.815 -10.415 3.866 420 2HD1 LEU 58 2HD1 LEU 58 4.293 -11.449 5.220 421 3HD1 LEU 58 3HD1 LEU 58 2.583 -10.997 5.014 422 1HD2 LEU 58 1HD2 LEU 58 1.915 -8.406 5.336 423 2HD2 LEU 58 2HD2 LEU 58 3.188 -7.266 5.840 424 3HD2 LEU 58 3HD2 LEU 58 3.230 -7.974 4.214 425 H ASP 59 H ASP 59 1.679 -12.053 8.206 426 HA ASP 59 HA ASP 59 0.572 -12.888 5.602 427 1HB ASP 59 1HB ASP 59 0.906 -14.281 8.279 428 2HB ASP 59 2HB ASP 59 1.627 -14.648 6.729 429 H ALA 60 H ALA 60 -0.782 -11.784 8.655 430 HA ALA 60 HA ALA 60 -3.582 -12.550 8.244 431 1HB ALA 60 1HB ALA 60 -4.083 -10.977 10.109 432 2HB ALA 60 2HB ALA 60 -2.692 -12.012 10.488 433 3HB ALA 60 3HB ALA 60 -2.435 -10.309 10.030 434 H ILE 61 H ILE 61 -2.051 -9.310 8.054 435 HA ILE 61 HA ILE 61 -4.150 -7.779 6.954 436 HB ILE 61 HB ILE 61 -1.151 -7.464 6.757 437 1HG1 ILE 61 1HG1 ILE 61 -2.038 -5.071 7.724 438 2HG1 ILE 61 2HG1 ILE 61 -3.442 -6.021 8.163 439 1HG2 ILE 61 1HG2 ILE 61 -1.368 -5.338 5.444 440 2HG2 ILE 61 2HG2 ILE 61 -1.919 -6.715 4.493 441 3HG2 ILE 61 3HG2 ILE 61 -3.113 -5.624 5.233 442 1HD1 ILE 61 1HD1 ILE 61 -0.588 -6.605 9.150 443 2HD1 ILE 61 2HD1 ILE 61 -1.950 -5.946 10.082 444 3HD1 ILE 61 3HD1 ILE 61 -2.015 -7.623 9.492 445 H ILE 62 H ILE 62 -1.870 -9.985 5.410 446 HA ILE 62 HA ILE 62 -2.410 -9.323 2.583 447 HB ILE 62 HB ILE 62 -1.017 -11.624 3.971 448 1HG1 ILE 62 1HG1 ILE 62 0.816 -10.928 2.221 449 2HG1 ILE 62 2HG1 ILE 62 0.532 -9.877 3.592 450 1HG2 ILE 62 1HG2 ILE 62 -0.644 -12.826 1.802 451 2HG2 ILE 62 2HG2 ILE 62 -2.362 -12.787 2.195 452 3HG2 ILE 62 3HG2 ILE 62 -1.718 -11.681 0.960 453 1HD1 ILE 62 1HD1 ILE 62 -0.770 -8.260 2.239 454 2HD1 ILE 62 2HD1 ILE 62 0.810 -8.575 1.491 455 3HD1 ILE 62 3HD1 ILE 62 -0.652 -9.324 0.810 456 H GLU 63 H GLU 63 -3.669 -11.763 4.848 457 HA GLU 63 HA GLU 63 -5.532 -13.109 3.064 458 1HB GLU 63 1HB GLU 63 -4.747 -13.818 5.437 459 2HB GLU 63 2HB GLU 63 -6.025 -12.794 6.062 460 1HG GLU 63 1HG GLU 63 -7.562 -14.266 4.347 461 2HG GLU 63 2HG GLU 63 -6.246 -15.415 4.524 462 H GLU 64 H GLU 64 -5.733 -10.103 4.863 463 HA GLU 64 HA GLU 64 -8.649 -9.731 4.862 464 1HB GLU 64 1HB GLU 64 -8.069 -7.265 5.296 465 2HB GLU 64 2HB GLU 64 -6.377 -7.713 5.212 466 1HG GLU 64 1HG GLU 64 -6.785 -7.754 7.534 467 2HG GLU 64 2HG GLU 64 -6.915 -9.455 7.122 468 H VAL 65 H VAL 65 -6.022 -8.518 2.776 469 HA VAL 65 HA VAL 65 -7.770 -6.913 0.996 470 HB VAL 65 HB VAL 65 -5.675 -5.999 0.995 471 1HG1 VAL 65 1HG1 VAL 65 -5.331 -7.808 -1.483 472 2HG1 VAL 65 2HG1 VAL 65 -6.445 -6.429 -1.418 473 3HG1 VAL 65 3HG1 VAL 65 -4.694 -6.162 -1.242 474 1HG2 VAL 65 1HG2 VAL 65 -3.487 -7.093 1.007 475 2HG2 VAL 65 2HG2 VAL 65 -4.495 -7.973 2.182 476 3HG2 VAL 65 3HG2 VAL 65 -4.189 -8.675 0.587 477 H ASP 66 H ASP 66 -6.447 -10.184 1.032 478 HA ASP 66 HA ASP 66 -7.618 -10.803 -1.722 479 1HB ASP 66 1HB ASP 66 -5.660 -12.615 -0.219 480 2HB ASP 66 2HB ASP 66 -5.105 -11.259 -1.174 481 H GLU 67 H GLU 67 -9.406 -10.460 0.276 482 HA GLU 67 HA GLU 67 -10.179 -12.965 1.709 483 1HB GLU 67 1HB GLU 67 -12.110 -11.822 2.503 484 2HB GLU 67 2HB GLU 67 -10.761 -10.708 2.593 485 1HG GLU 67 1HG GLU 67 -11.690 -9.810 0.230 486 2HG GLU 67 2HG GLU 67 -13.168 -10.632 0.704 487 H ASP 68 H ASP 68 -11.073 -11.275 -1.273 488 HA ASP 68 HA ASP 68 -12.641 -13.731 -2.215 489 1HB ASP 68 1HB ASP 68 -12.918 -11.031 -3.598 490 2HB ASP 68 2HB ASP 68 -13.746 -11.304 -2.082 491 H GLY 69 H GLY 69 -10.291 -11.225 -3.164 492 1HA GLY 69 1HA GLY 69 -9.279 -12.930 -5.499 493 2HA GLY 69 2HA GLY 69 -8.162 -12.601 -4.171 494 H SER 70 H SER 70 -7.213 -10.654 -3.963 495 HA SER 70 HA SER 70 -7.906 -8.328 -5.803 496 1HB SER 70 1HB SER 70 -7.508 -7.864 -3.378 497 2HB SER 70 2HB SER 70 -5.851 -8.454 -3.525 498 HG SER 70 HG SER 70 -7.041 -6.143 -4.507 499 H GLY 71 H GLY 71 -4.835 -9.807 -4.696 500 1HA GLY 71 1HA GLY 71 -3.204 -11.022 -6.205 501 2HA GLY 71 2HA GLY 71 -3.912 -10.174 -7.583 502 H THR 72 H THR 72 -3.794 -7.696 -7.364 503 HA THR 72 HA THR 72 -0.891 -6.996 -6.812 504 HB THR 72 HB THR 72 -1.087 -5.152 -8.416 505 HG1 THR 72 HG1 THR 72 -3.493 -6.033 -9.400 506 1HG2 THR 72 1HG2 THR 72 -2.247 -7.429 -10.052 507 2HG2 THR 72 2HG2 THR 72 -0.881 -6.352 -10.416 508 3HG2 THR 72 3HG2 THR 72 -0.678 -7.694 -9.260 509 H ILE 73 H ILE 73 -0.354 -5.013 -5.837 510 HA ILE 73 HA ILE 73 -2.571 -3.521 -4.398 511 HB ILE 73 HB ILE 73 -1.444 -5.122 -2.826 512 1HG1 ILE 73 1HG1 ILE 73 -1.035 -3.146 -1.026 513 2HG1 ILE 73 2HG1 ILE 73 -1.703 -2.148 -2.305 514 1HG2 ILE 73 1HG2 ILE 73 0.763 -4.663 -1.822 515 2HG2 ILE 73 2HG2 ILE 73 0.964 -4.894 -3.565 516 3HG2 ILE 73 3HG2 ILE 73 1.013 -3.253 -2.877 517 1HD1 ILE 73 1HD1 ILE 73 -3.734 -3.842 -2.372 518 2HD1 ILE 73 2HD1 ILE 73 -3.112 -4.405 -0.806 519 3HD1 ILE 73 3HD1 ILE 73 -3.613 -2.708 -0.998 520 H ASP 74 H ASP 74 -2.515 -1.417 -4.673 521 HA ASP 74 HA ASP 74 -0.199 -0.186 -6.247 522 1HB ASP 74 1HB ASP 74 -1.595 1.008 -7.500 523 2HB ASP 74 2HB ASP 74 -2.527 1.528 -6.128 524 H PHE 75 H PHE 75 -0.714 2.451 -5.837 525 HA PHE 75 HA PHE 75 0.722 2.836 -3.256 526 1HB PHE 75 1HB PHE 75 -0.072 5.020 -5.264 527 2HB PHE 75 2HB PHE 75 1.290 3.963 -5.525 528 HD1 PHE 75 HD1 PHE 75 2.489 6.310 -5.593 529 HD2 PHE 75 HD2 PHE 75 0.913 4.598 -1.972 530 HE1 PHE 75 HE1 PHE 75 3.699 7.988 -4.261 531 HE2 PHE 75 HE2 PHE 75 2.123 6.295 -0.658 532 HZ PHE 75 HZ PHE 75 3.542 7.966 -1.794 533 H GLU 76 H GLU 76 -2.459 3.467 -4.608 534 HA GLU 76 HA GLU 76 -3.480 5.385 -2.648 535 1HB GLU 76 1HB GLU 76 -5.796 4.538 -3.416 536 2HB GLU 76 2HB GLU 76 -4.764 5.364 -4.565 537 1HG GLU 76 1HG GLU 76 -4.118 2.611 -4.959 538 2HG GLU 76 2HG GLU 76 -5.080 3.639 -6.008 539 H GLU 77 H GLU 77 -4.539 1.997 -2.993 540 HA GLU 77 HA GLU 77 -5.560 1.471 -0.359 541 1HB GLU 77 1HB GLU 77 -3.989 -0.716 -1.757 542 2HB GLU 77 2HB GLU 77 -5.419 -0.069 -2.537 543 1HG GLU 77 1HG GLU 77 -5.196 -1.766 -0.034 544 2HG GLU 77 2HG GLU 77 -6.481 -0.569 -0.033 545 H PHE 78 H PHE 78 -2.267 1.792 -1.493 546 HA PHE 78 HA PHE 78 -0.777 0.524 0.639 547 1HB PHE 78 1HB PHE 78 -0.148 2.164 -1.663 548 2HB PHE 78 2HB PHE 78 0.627 2.933 -0.307 549 HD1 PHE 78 HD1 PHE 78 0.125 -0.647 -1.548 550 HD2 PHE 78 HD2 PHE 78 2.850 2.207 0.168 551 HE1 PHE 78 HE1 PHE 78 1.986 -2.234 -1.836 552 HE2 PHE 78 HE2 PHE 78 4.679 0.575 -0.047 553 HZ PHE 78 HZ PHE 78 4.265 -1.623 -1.099 554 H LEU 79 H LEU 79 -1.665 3.967 0.231 555 HA LEU 79 HA LEU 79 -0.768 4.930 2.866 556 1HB LEU 79 1HB LEU 79 -2.140 6.945 2.418 557 2HB LEU 79 2HB LEU 79 -2.980 6.140 1.110 558 HG LEU 79 HG LEU 79 -0.554 5.897 0.012 559 1HD1 LEU 79 1HD1 LEU 79 -0.854 8.095 -1.138 560 2HD1 LEU 79 2HD1 LEU 79 -2.412 7.266 -0.961 561 3HD1 LEU 79 3HD1 LEU 79 -2.004 8.625 0.116 562 1HD2 LEU 79 1HD2 LEU 79 -0.064 8.260 1.947 563 2HD2 LEU 79 2HD2 LEU 79 0.796 6.700 1.954 564 3HD2 LEU 79 3HD2 LEU 79 0.986 7.802 0.582 565 H VAL 80 H VAL 80 -3.680 3.388 1.648 566 HA VAL 80 HA VAL 80 -5.536 4.053 3.798 567 HB VAL 80 HB VAL 80 -5.561 1.754 1.790 568 1HG1 VAL 80 1HG1 VAL 80 -7.461 4.171 1.996 569 2HG1 VAL 80 2HG1 VAL 80 -6.009 4.170 0.986 570 3HG1 VAL 80 3HG1 VAL 80 -7.312 3.005 0.655 571 1HG2 VAL 80 1HG2 VAL 80 -7.837 1.139 2.456 572 2HG2 VAL 80 2HG2 VAL 80 -6.821 1.024 3.912 573 3HG2 VAL 80 3HG2 VAL 80 -7.894 2.415 3.697 574 H MET 81 H MET 81 -3.130 1.507 3.352 575 HA MET 81 HA MET 81 -3.917 -0.071 5.773 576 1HB MET 81 1HB MET 81 -1.970 -1.514 5.263 577 2HB MET 81 2HB MET 81 -1.368 -0.362 4.085 578 1HG MET 81 1HG MET 81 -3.743 -0.752 2.877 579 2HG MET 81 2HG MET 81 -2.410 -1.898 2.665 580 1HE MET 81 1HE MET 81 -5.640 -2.105 2.363 581 2HE MET 81 2HE MET 81 -6.382 -3.302 3.465 582 3HE MET 81 3HE MET 81 -6.218 -1.598 3.981 583 H MET 82 H MET 82 -1.506 2.337 4.875 584 HA MET 82 HA MET 82 0.337 2.088 7.119 585 1HB MET 82 1HB MET 82 -0.223 4.290 5.104 586 2HB MET 82 2HB MET 82 0.702 4.702 6.536 587 1HG MET 82 1HG MET 82 1.632 2.217 5.069 588 2HG MET 82 2HG MET 82 1.841 3.761 4.228 589 1HE MET 82 1HE MET 82 2.190 1.739 7.352 590 2HE MET 82 2HE MET 82 3.882 2.027 7.854 591 3HE MET 82 3HE MET 82 2.571 3.042 8.522 592 H VAL 83 H VAL 83 -2.198 4.560 6.577 593 HA VAL 83 HA VAL 83 -2.232 5.784 9.174 594 HB VAL 83 HB VAL 83 -4.679 5.462 7.363 595 1HG1 VAL 83 1HG1 VAL 83 -2.700 7.825 7.371 596 2HG1 VAL 83 2HG1 VAL 83 -2.626 6.505 6.196 597 3HG1 VAL 83 3HG1 VAL 83 -4.066 7.547 6.260 598 1HG2 VAL 83 1HG2 VAL 83 -5.618 7.449 8.426 599 2HG2 VAL 83 2HG2 VAL 83 -5.174 6.340 9.744 600 3HG2 VAL 83 3HG2 VAL 83 -4.141 7.730 9.383 601 NH1 ARG 84 NH1 ARG 84 -10.179 1.663 8.476 602 NH2 ARG 84 NH2 ARG 84 -10.339 2.722 6.473 603 H ARG 84 H ARG 84 -3.956 2.922 7.959 604 HA ARG 84 HA ARG 84 -5.736 2.259 10.149 605 1HB ARG 84 1HB ARG 84 -4.406 0.699 7.946 606 2HB ARG 84 2HB ARG 84 -4.842 -0.241 9.366 607 1HG ARG 84 1HG ARG 84 -6.581 0.143 7.342 608 2HG ARG 84 2HG ARG 84 -7.113 -0.079 9.010 609 1HD ARG 84 1HD ARG 84 -7.757 2.162 9.286 610 2HD ARG 84 2HD ARG 84 -6.508 2.785 8.210 611 HE ARG 84 HE ARG 84 -7.948 2.104 6.235 612 1HH1 ARG 84 1HH1 ARG 84 -11.198 1.776 8.528 613 2HH1 ARG 84 2HH1 ARG 84 -9.573 1.227 9.180 614 1HH2 ARG 84 1HH2 ARG 84 -9.849 3.176 5.694 615 2HH2 ARG 84 2HH2 ARG 84 -11.354 2.677 6.618 616 H GLN 85 H GLN 85 -2.279 1.506 9.671 617 HA GLN 85 HA GLN 85 -1.926 -0.148 12.079 618 1HB GLN 85 1HB GLN 85 0.397 1.389 10.832 619 2HB GLN 85 2HB GLN 85 -0.413 0.141 9.902 620 1HG GLN 85 1HG GLN 85 0.493 -1.589 11.109 621 2HG GLN 85 2HG GLN 85 1.732 -0.398 11.449 622 1HE2 GLN 85 1HE2 GLN 85 -0.749 -1.700 14.501 623 2HE2 GLN 85 2HE2 GLN 85 -1.217 -1.930 12.742 624 H MET 86 H MET 86 -1.225 3.268 11.342 625 HA MET 86 HA MET 86 0.142 4.087 13.742 626 1HB MET 86 1HB MET 86 -1.447 5.563 11.640 627 2HB MET 86 2HB MET 86 -1.219 6.396 13.167 628 1HG MET 86 1HG MET 86 1.166 6.504 12.928 629 2HG MET 86 2HG MET 86 0.544 6.819 11.300 630 1HE MET 86 1HE MET 86 3.275 4.863 9.751 631 2HE MET 86 2HE MET 86 1.651 5.231 9.098 632 3HE MET 86 3HE MET 86 2.496 6.435 10.115 633 H LYS 87 H LYS 87 -3.330 3.905 13.016 634 HA LYS 87 HA LYS 87 -4.510 5.012 15.390 635 1HB LYS 87 1HB LYS 87 -5.983 4.396 13.585 636 2HB LYS 87 2HB LYS 87 -5.469 2.723 13.589 637 1HG LYS 87 1HG LYS 87 -6.626 3.525 16.209 638 2HG LYS 87 2HG LYS 87 -6.974 2.126 15.213 639 1HD LYS 87 1HD LYS 87 -8.070 4.874 14.386 640 2HD LYS 87 2HD LYS 87 -8.631 3.276 13.922 641 1HE LYS 87 1HE LYS 87 -9.365 4.882 16.319 642 2HE LYS 87 2HE LYS 87 -10.280 3.618 15.495 643 1HZ LYS 87 1HZ LYS 87 -8.499 2.081 16.640 644 2HZ LYS 87 2HZ LYS 87 -8.320 3.356 17.675 645 3HZ LYS 87 3HZ LYS 87 -9.796 2.636 17.500 646 H GLU 88 H GLU 88 -3.551 1.616 14.769 647 HA GLU 88 HA GLU 88 -3.700 0.956 17.733 648 1HB GLU 88 1HB GLU 88 -4.582 -0.514 15.645 649 2HB GLU 88 2HB GLU 88 -2.943 -1.133 15.682 650 1HG GLU 88 1HG GLU 88 -3.236 -2.237 17.744 651 2HG GLU 88 2HG GLU 88 -4.410 -1.077 18.341 652 H ASP 89 H ASP 89 -1.943 2.032 18.522 653 HA ASP 89 HA ASP 89 0.843 1.473 17.485 654 1HB ASP 89 1HB ASP 89 0.203 3.800 18.250 655 2HB ASP 89 2HB ASP 89 1.676 3.154 18.934 656 H ALA 90 H ALA 90 -1.128 0.950 20.402 657 HA ALA 90 HA ALA 90 -1.006 -0.672 22.184 658 1HB ALA 90 1HB ALA 90 -1.064 -2.270 20.127 659 2HB ALA 90 2HB ALA 90 0.700 -2.392 20.275 660 3HB ALA 90 3HB ALA 90 -0.343 -2.950 21.607 Start of MODEL 27 Raw file had 660 H/Q atoms Start of MODEL 27 1 1H ALA 1 1H ALA 1 -21.383 2.199 3.395 2 2H ALA 1 2H ALA 1 -22.036 0.698 3.782 3 3H ALA 1 3H ALA 1 -22.947 1.812 2.912 4 HA ALA 1 HA ALA 1 -23.878 2.273 4.839 5 1HB ALA 1 1HB ALA 1 -22.302 1.889 7.036 6 2HB ALA 1 2HB ALA 1 -23.201 0.565 6.270 7 3HB ALA 1 3HB ALA 1 -21.465 0.778 5.925 8 H SER 2 H SER 2 -20.432 2.889 5.568 9 HA SER 2 HA SER 2 -20.812 5.897 5.258 10 1HB SER 2 1HB SER 2 -20.214 4.485 7.874 11 2HB SER 2 2HB SER 2 -19.442 6.042 7.563 12 HG SER 2 HG SER 2 -21.854 6.440 6.799 13 H MET 3 H MET 3 -18.271 3.991 6.852 14 HA MET 3 HA MET 3 -16.220 5.004 4.807 15 1HB MET 3 1HB MET 3 -15.686 5.863 7.008 16 2HB MET 3 2HB MET 3 -15.902 4.295 7.767 17 1HG MET 3 1HG MET 3 -13.846 3.887 5.784 18 2HG MET 3 2HG MET 3 -13.479 5.433 6.568 19 1HE MET 3 1HE MET 3 -14.771 5.400 9.111 20 2HE MET 3 2HE MET 3 -14.447 4.097 10.293 21 3HE MET 3 3HE MET 3 -13.166 5.281 9.898 22 H THR 4 H THR 4 -17.475 3.106 3.713 23 HA THR 4 HA THR 4 -16.976 0.309 4.185 24 HB THR 4 HB THR 4 -18.311 1.559 2.243 25 HG1 THR 4 HG1 THR 4 -17.880 -0.793 2.913 26 1HG2 THR 4 1HG2 THR 4 -17.343 1.216 0.000 27 2HG2 THR 4 2HG2 THR 4 -16.340 2.381 0.893 28 3HG2 THR 4 3HG2 THR 4 -15.785 0.701 0.680 29 H ASP 5 H ASP 5 -14.859 2.874 3.080 30 HA ASP 5 HA ASP 5 -12.361 1.725 3.784 31 1HB ASP 5 1HB ASP 5 -13.345 0.485 1.270 32 2HB ASP 5 2HB ASP 5 -11.777 1.232 1.069 33 H GLN 6 H GLN 6 -12.887 4.082 4.150 34 HA GLN 6 HA GLN 6 -12.825 6.159 2.129 35 1HB GLN 6 1HB GLN 6 -11.823 6.284 5.035 36 2HB GLN 6 2HB GLN 6 -11.958 7.676 3.975 37 1HG GLN 6 1HG GLN 6 -14.353 5.891 4.713 38 2HG GLN 6 2HG GLN 6 -13.902 7.323 5.615 39 1HE2 GLN 6 1HE2 GLN 6 -15.912 7.708 2.032 40 2HE2 GLN 6 2HE2 GLN 6 -15.126 6.122 2.515 41 H GLN 7 H GLN 7 -11.352 5.699 0.557 42 HA GLN 7 HA GLN 7 -8.438 5.213 0.933 43 1HB GLN 7 1HB GLN 7 -8.409 6.083 -1.578 44 2HB GLN 7 2HB GLN 7 -9.021 4.492 -1.161 45 1HG GLN 7 1HG GLN 7 -11.089 6.695 -1.203 46 2HG GLN 7 2HG GLN 7 -10.364 6.309 -2.750 47 1HE2 GLN 7 1HE2 GLN 7 -13.420 4.075 -1.979 48 2HE2 GLN 7 2HE2 GLN 7 -13.110 5.883 -1.937 49 H ALA 8 H ALA 8 -10.553 8.021 0.482 50 HA ALA 8 HA ALA 8 -8.443 10.077 0.116 51 1HB ALA 8 1HB ALA 8 -11.150 10.866 1.201 52 2HB ALA 8 2HB ALA 8 -10.178 11.598 -0.090 53 3HB ALA 8 3HB ALA 8 -11.105 10.110 -0.409 54 H GLU 9 H GLU 9 -10.159 8.629 2.830 55 HA GLU 9 HA GLU 9 -9.582 10.459 4.983 56 1HB GLU 9 1HB GLU 9 -11.129 8.799 5.532 57 2HB GLU 9 2HB GLU 9 -10.148 7.485 4.917 58 1HG GLU 9 1HG GLU 9 -8.500 8.100 6.948 59 2HG GLU 9 2HG GLU 9 -9.925 7.107 7.204 60 H ALA 10 H ALA 10 -7.605 7.982 3.438 61 HA ALA 10 HA ALA 10 -5.449 7.715 5.362 62 1HB ALA 10 1HB ALA 10 -4.119 6.759 3.486 63 2HB ALA 10 2HB ALA 10 -5.769 6.107 3.508 64 3HB ALA 10 3HB ALA 10 -5.315 7.338 2.302 65 NH1 ARG 11 NH1 ARG 11 -5.820 12.434 -3.447 66 NH2 ARG 11 NH2 ARG 11 -5.348 14.329 -2.286 67 H ARG 11 H ARG 11 -5.659 9.732 2.413 68 HA ARG 11 HA ARG 11 -3.032 11.059 2.645 69 1HB ARG 11 1HB ARG 11 -3.580 12.225 0.726 70 2HB ARG 11 2HB ARG 11 -5.227 12.551 1.246 71 1HG ARG 11 1HG ARG 11 -4.594 9.660 0.596 72 2HG ARG 11 2HG ARG 11 -6.103 10.553 0.394 73 1HD ARG 11 1HD ARG 11 -3.762 10.320 -1.492 74 2HD ARG 11 2HD ARG 11 -5.481 10.461 -1.853 75 HE ARG 11 HE ARG 11 -3.759 12.866 -1.063 76 1HH1 ARG 11 1HH1 ARG 11 -6.331 13.049 -4.089 77 2HH1 ARG 11 2HH1 ARG 11 -5.712 11.417 -3.525 78 1HH2 ARG 11 1HH2 ARG 11 -4.916 14.754 -1.458 79 2HH2 ARG 11 2HH2 ARG 11 -5.857 14.816 -3.032 80 H ALA 12 H ALA 12 -6.302 11.775 3.770 81 HA ALA 12 HA ALA 12 -6.089 14.505 4.642 82 1HB ALA 12 1HB ALA 12 -7.930 14.022 6.243 83 2HB ALA 12 2HB ALA 12 -8.241 13.279 4.661 84 3HB ALA 12 3HB ALA 12 -7.701 12.270 6.027 85 H PHE 13 H PHE 13 -4.935 11.531 6.154 86 HA PHE 13 HA PHE 13 -4.327 12.688 8.823 87 1HB PHE 13 1HB PHE 13 -3.538 10.018 7.524 88 2HB PHE 13 2HB PHE 13 -4.865 10.297 8.621 89 HD1 PHE 13 HD1 PHE 13 -1.192 9.843 8.343 90 HD2 PHE 13 HD2 PHE 13 -4.397 10.677 11.094 91 HE1 PHE 13 HE1 PHE 13 0.254 9.222 10.236 92 HE2 PHE 13 HE2 PHE 13 -2.943 10.027 12.969 93 HZ PHE 13 HZ PHE 13 -0.610 9.330 12.549 94 H LEU 14 H LEU 14 -2.424 11.698 5.975 95 HA LEU 14 HA LEU 14 0.193 12.692 6.989 96 1HB LEU 14 1HB LEU 14 -0.279 12.270 4.021 97 2HB LEU 14 2HB LEU 14 1.147 11.942 4.982 98 HG LEU 14 HG LEU 14 -1.444 10.271 5.012 99 1HD1 LEU 14 1HD1 LEU 14 -0.084 8.514 3.867 100 2HD1 LEU 14 2HD1 LEU 14 -0.143 9.994 2.892 101 3HD1 LEU 14 3HD1 LEU 14 1.328 9.601 3.817 102 1HD2 LEU 14 1HD2 LEU 14 1.214 9.743 6.505 103 2HD2 LEU 14 2HD2 LEU 14 -0.348 10.157 7.255 104 3HD2 LEU 14 3HD2 LEU 14 -0.163 8.616 6.404 105 H SER 15 H SER 15 1.384 14.225 5.331 106 HA SER 15 HA SER 15 -0.247 16.794 5.097 107 1HB SER 15 1HB SER 15 2.644 16.188 5.650 108 2HB SER 15 2HB SER 15 2.330 17.622 4.669 109 HG SER 15 HG SER 15 2.295 17.717 7.086 110 H GLU 16 H GLU 16 0.507 18.216 3.232 111 HA GLU 16 HA GLU 16 -0.087 16.867 0.659 112 1HB GLU 16 1HB GLU 16 0.739 19.396 -0.099 113 2HB GLU 16 2HB GLU 16 0.272 19.696 1.563 114 1HG GLU 16 1HG GLU 16 -1.529 18.532 -0.654 115 2HG GLU 16 2HG GLU 16 -2.020 18.609 1.030 116 H GLU 17 H GLU 17 2.765 18.127 2.288 117 HA GLU 17 HA GLU 17 4.612 17.690 -0.060 118 1HB GLU 17 1HB GLU 17 5.065 19.671 1.207 119 2HB GLU 17 2HB GLU 17 5.056 18.820 2.739 120 1HG GLU 17 1HG GLU 17 7.215 17.729 2.247 121 2HG GLU 17 2HG GLU 17 7.179 18.264 0.575 122 H MET 18 H MET 18 3.795 16.262 3.064 123 HA MET 18 HA MET 18 6.013 14.406 3.406 124 1HB MET 18 1HB MET 18 4.490 14.905 5.272 125 2HB MET 18 2HB MET 18 3.125 14.205 4.422 126 1HG MET 18 1HG MET 18 4.403 11.926 4.468 127 2HG MET 18 2HG MET 18 3.769 12.535 6.005 128 1HE MET 18 1HE MET 18 6.979 11.051 7.481 129 2HE MET 18 2HE MET 18 5.223 10.885 7.182 130 3HE MET 18 3HE MET 18 6.393 10.302 5.961 131 H ILE 19 H ILE 19 2.989 14.233 1.602 132 HA ILE 19 HA ILE 19 2.894 11.398 0.955 133 HB ILE 19 HB ILE 19 1.834 13.742 -0.704 134 1HG1 ILE 19 1HG1 ILE 19 0.912 12.932 1.812 135 2HG1 ILE 19 2HG1 ILE 19 -0.023 13.810 0.620 136 1HG2 ILE 19 1HG2 ILE 19 0.401 12.076 -1.906 137 2HG2 ILE 19 2HG2 ILE 19 2.106 11.706 -2.155 138 3HG2 ILE 19 3HG2 ILE 19 1.157 10.740 -1.002 139 1HD1 ILE 19 1HD1 ILE 19 -0.118 10.758 0.981 140 2HD1 ILE 19 2HD1 ILE 19 -1.368 11.944 1.407 141 3HD1 ILE 19 3HD1 ILE 19 -0.970 11.657 -0.303 142 H ALA 20 H ALA 20 4.502 14.153 -0.619 143 HA ALA 20 HA ALA 20 5.478 12.929 -3.027 144 1HB ALA 20 1HB ALA 20 6.714 14.858 -3.343 145 2HB ALA 20 2HB ALA 20 5.615 15.444 -2.079 146 3HB ALA 20 3HB ALA 20 7.277 14.958 -1.658 147 H GLU 21 H GLU 21 6.758 12.861 0.268 148 HA GLU 21 HA GLU 21 9.397 11.676 -0.390 149 1HB GLU 21 1HB GLU 21 8.189 12.849 1.930 150 2HB GLU 21 2HB GLU 21 8.656 11.227 2.399 151 1HG GLU 21 1HG GLU 21 10.362 13.252 2.677 152 2HG GLU 21 2HG GLU 21 10.671 13.042 0.961 153 H PHE 22 H PHE 22 6.272 10.478 0.766 154 HA PHE 22 HA PHE 22 6.868 7.699 1.274 155 1HB PHE 22 1HB PHE 22 4.350 7.391 0.351 156 2HB PHE 22 2HB PHE 22 4.327 9.134 0.394 157 HD1 PHE 22 HD1 PHE 22 3.901 10.265 2.495 158 HD2 PHE 22 HD2 PHE 22 5.059 6.119 2.569 159 HE1 PHE 22 HE1 PHE 22 3.398 10.156 4.900 160 HE2 PHE 22 HE2 PHE 22 4.533 6.027 4.971 161 HZ PHE 22 HZ PHE 22 3.677 8.032 6.134 162 H LYS 23 H LYS 23 5.912 9.337 -1.744 163 HA LYS 23 HA LYS 23 5.673 7.160 -3.572 164 1HB LYS 23 1HB LYS 23 7.054 9.735 -4.474 165 2HB LYS 23 2HB LYS 23 5.382 9.782 -3.956 166 1HG LYS 23 1HG LYS 23 6.608 8.580 -6.438 167 2HG LYS 23 2HG LYS 23 5.256 7.688 -5.769 168 1HD LYS 23 1HD LYS 23 3.753 9.661 -5.987 169 2HD LYS 23 2HD LYS 23 5.114 10.691 -6.398 170 1HE LYS 23 1HE LYS 23 3.751 8.601 -8.149 171 2HE LYS 23 2HE LYS 23 4.124 10.285 -8.525 172 1HZ LYS 23 1HZ LYS 23 5.733 9.156 -9.692 173 2HZ LYS 23 2HZ LYS 23 6.581 9.422 -8.300 174 3HZ LYS 23 3HZ LYS 23 5.907 7.942 -8.585 175 H ALA 24 H ALA 24 8.596 8.893 -2.522 176 HA ALA 24 HA ALA 24 10.618 7.878 -4.235 177 1HB ALA 24 1HB ALA 24 12.245 8.287 -2.399 178 2HB ALA 24 2HB ALA 24 11.069 9.609 -2.520 179 3HB ALA 24 3HB ALA 24 10.924 8.408 -1.212 180 H ALA 25 H ALA 25 9.573 6.441 -1.126 181 HA ALA 25 HA ALA 25 11.324 4.114 -1.132 182 1HB ALA 25 1HB ALA 25 9.838 3.211 0.649 183 2HB ALA 25 2HB ALA 25 10.211 4.922 0.929 184 3HB ALA 25 3HB ALA 25 8.611 4.452 0.299 185 H PHE 26 H PHE 26 8.152 4.718 -2.531 186 HA PHE 26 HA PHE 26 7.275 1.975 -3.043 187 1HB PHE 26 1HB PHE 26 6.473 4.352 -4.801 188 2HB PHE 26 2HB PHE 26 5.922 4.242 -3.150 189 HD1 PHE 26 HD1 PHE 26 4.086 4.247 -5.574 190 HD2 PHE 26 HD2 PHE 26 5.866 0.942 -3.472 191 HE1 PHE 26 HE1 PHE 26 2.176 2.817 -6.182 192 HE2 PHE 26 HE2 PHE 26 3.982 -0.490 -4.147 193 HZ PHE 26 HZ PHE 26 2.124 0.448 -5.479 194 H ASP 27 H ASP 27 9.152 4.333 -4.913 195 HA ASP 27 HA ASP 27 9.365 2.715 -7.384 196 1HB ASP 27 1HB ASP 27 9.573 5.312 -7.163 197 2HB ASP 27 2HB ASP 27 11.230 5.035 -6.678 198 H MET 28 H MET 28 11.171 2.955 -4.410 199 HA MET 28 HA MET 28 13.736 1.819 -5.207 200 1HB MET 28 1HB MET 28 12.309 2.046 -2.549 201 2HB MET 28 2HB MET 28 13.599 0.862 -2.661 202 1HG MET 28 1HG MET 28 15.260 2.589 -3.267 203 2HG MET 28 2HG MET 28 13.995 3.815 -3.447 204 1HE MET 28 1HE MET 28 14.410 5.596 -0.345 205 2HE MET 28 2HE MET 28 15.954 5.141 -1.123 206 3HE MET 28 3HE MET 28 14.523 5.505 -2.131 207 H PHE 29 H PHE 29 10.626 0.366 -4.386 208 HA PHE 29 HA PHE 29 11.732 -2.469 -4.816 209 1HB PHE 29 1HB PHE 29 9.083 -1.642 -3.462 210 2HB PHE 29 2HB PHE 29 9.600 -3.280 -3.747 211 HD1 PHE 29 HD1 PHE 29 12.679 -1.923 -2.994 212 HD2 PHE 29 HD2 PHE 29 8.924 -2.683 -1.031 213 HE1 PHE 29 HE1 PHE 29 13.828 -2.058 -0.821 214 HE2 PHE 29 HE2 PHE 29 10.091 -2.803 1.131 215 HZ PHE 29 HZ PHE 29 12.538 -2.491 1.242 216 H ASP 30 H ASP 30 11.150 -0.490 -6.895 217 HA ASP 30 HA ASP 30 9.029 -2.015 -8.477 218 1HB ASP 30 1HB ASP 30 9.143 1.001 -8.835 219 2HB ASP 30 2HB ASP 30 8.287 0.358 -7.453 220 H ALA 31 H ALA 31 9.660 -2.527 -10.450 221 HA ALA 31 HA ALA 31 12.406 -2.320 -11.372 222 1HB ALA 31 1HB ALA 31 11.571 -3.304 -13.511 223 2HB ALA 31 2HB ALA 31 10.903 -4.143 -12.097 224 3HB ALA 31 3HB ALA 31 9.885 -3.009 -13.022 225 H ASP 32 H ASP 32 9.769 -1.159 -13.413 226 HA ASP 32 HA ASP 32 10.764 1.672 -13.597 227 1HB ASP 32 1HB ASP 32 11.459 -0.343 -15.752 228 2HB ASP 32 2HB ASP 32 12.417 0.954 -15.075 229 H GLY 33 H GLY 33 8.960 2.759 -13.586 230 1HA GLY 33 1HA GLY 33 6.371 1.611 -14.728 231 2HA GLY 33 2HA GLY 33 6.896 3.180 -15.348 232 H GLY 34 H GLY 34 6.210 1.455 -12.307 233 1HA GLY 34 1HA GLY 34 5.721 4.027 -10.758 234 2HA GLY 34 2HA GLY 34 5.738 2.391 -10.085 235 H GLY 35 H GLY 35 3.919 1.232 -9.933 236 1HA GLY 35 1HA GLY 35 1.455 1.232 -11.356 237 2HA GLY 35 2HA GLY 35 1.279 2.622 -10.280 238 H ASP 36 H ASP 36 2.817 -0.560 -9.814 239 HA ASP 36 HA ASP 36 1.521 -0.987 -7.134 240 1HB ASP 36 1HB ASP 36 0.418 -3.182 -7.837 241 2HB ASP 36 2HB ASP 36 -0.395 -1.704 -8.298 242 H ILE 37 H ILE 37 2.048 -3.339 -6.441 243 HA ILE 37 HA ILE 37 4.643 -4.470 -7.548 244 HB ILE 37 HB ILE 37 5.104 -4.412 -4.746 245 1HG1 ILE 37 1HG1 ILE 37 4.876 -1.482 -5.601 246 2HG1 ILE 37 2HG1 ILE 37 3.451 -2.277 -4.967 247 1HG2 ILE 37 1HG2 ILE 37 7.204 -3.227 -5.391 248 2HG2 ILE 37 2HG2 ILE 37 6.835 -4.496 -6.567 249 3HG2 ILE 37 3HG2 ILE 37 6.517 -2.793 -6.975 250 1HD1 ILE 37 1HD1 ILE 37 6.085 -1.960 -3.415 251 2HD1 ILE 37 2HD1 ILE 37 4.547 -1.118 -3.133 252 3HD1 ILE 37 3HD1 ILE 37 4.663 -2.867 -2.831 253 H SER 38 H SER 38 5.146 -6.270 -5.563 254 HA SER 38 HA SER 38 2.833 -8.192 -5.692 255 1HB SER 38 1HB SER 38 5.220 -8.960 -4.059 256 2HB SER 38 2HB SER 38 5.575 -8.553 -5.739 257 HG SER 38 HG SER 38 4.961 -10.758 -5.277 258 H THR 39 H THR 39 2.094 -9.284 -3.753 259 HA THR 39 HA THR 39 1.308 -7.381 -1.586 260 HB THR 39 HB THR 39 -0.285 -9.063 -2.565 261 HG1 THR 39 HG1 THR 39 -0.352 -8.008 -0.432 262 1HG2 THR 39 1HG2 THR 39 -0.380 -11.366 -1.718 263 2HG2 THR 39 2HG2 THR 39 1.169 -11.135 -2.561 264 3HG2 THR 39 3HG2 THR 39 1.115 -11.149 -0.779 265 H LYS 40 H LYS 40 3.558 -10.042 -2.036 266 HA LYS 40 HA LYS 40 4.121 -10.663 0.779 267 1HB LYS 40 1HB LYS 40 5.346 -11.377 -1.872 268 2HB LYS 40 2HB LYS 40 6.466 -11.410 -0.527 269 1HG LYS 40 1HG LYS 40 5.446 -13.248 0.481 270 2HG LYS 40 2HG LYS 40 3.834 -12.814 -0.051 271 1HD LYS 40 1HD LYS 40 4.025 -14.532 -1.560 272 2HD LYS 40 2HD LYS 40 5.027 -13.428 -2.488 273 1HE LYS 40 1HE LYS 40 6.462 -15.262 -2.411 274 2HE LYS 40 2HE LYS 40 5.899 -15.813 -0.833 275 1HZ LYS 40 1HZ LYS 40 8.207 -14.785 -0.977 276 2HZ LYS 40 2HZ LYS 40 7.476 -13.310 -1.114 277 3HZ LYS 40 3HZ LYS 40 7.246 -14.224 0.243 278 H GLU 41 H GLU 41 5.392 -8.339 -1.539 279 HA GLU 41 HA GLU 41 7.777 -7.552 0.112 280 1HB GLU 41 1HB GLU 41 8.250 -5.897 -1.657 281 2HB GLU 41 2HB GLU 41 6.704 -6.205 -2.422 282 1HG GLU 41 1HG GLU 41 8.594 -7.330 -3.617 283 2HG GLU 41 2HG GLU 41 7.383 -8.482 -3.082 284 H LEU 42 H LEU 42 4.559 -6.309 -0.667 285 HA LEU 42 HA LEU 42 4.438 -3.681 0.174 286 1HB LEU 42 1HB LEU 42 2.360 -4.454 -0.481 287 2HB LEU 42 2HB LEU 42 2.493 -5.962 0.399 288 HG LEU 42 HG LEU 42 2.209 -4.392 2.574 289 1HD1 LEU 42 1HD1 LEU 42 0.698 -2.434 2.140 290 2HD1 LEU 42 2HD1 LEU 42 2.283 -2.202 1.386 291 3HD1 LEU 42 3HD1 LEU 42 0.884 -2.661 0.382 292 1HD2 LEU 42 1HD2 LEU 42 -0.176 -5.118 0.744 293 2HD2 LEU 42 2HD2 LEU 42 0.602 -6.199 1.925 294 3HD2 LEU 42 3HD2 LEU 42 -0.265 -4.759 2.488 295 H GLY 43 H GLY 43 4.203 -6.472 2.405 296 1HA GLY 43 1HA GLY 43 4.241 -5.267 5.000 297 2HA GLY 43 2HA GLY 43 5.083 -6.778 4.637 298 H THR 44 H THR 44 7.198 -6.490 3.413 299 HA THR 44 HA THR 44 9.232 -5.386 4.916 300 HB THR 44 HB THR 44 9.143 -5.848 1.921 301 HG1 THR 44 HG1 THR 44 10.760 -7.376 2.669 302 1HG2 THR 44 1HG2 THR 44 11.623 -5.554 1.795 303 2HG2 THR 44 2HG2 THR 44 10.810 -4.010 2.124 304 3HG2 THR 44 3HG2 THR 44 11.640 -4.875 3.442 305 H VAL 45 H VAL 45 7.161 -3.651 2.693 306 HA VAL 45 HA VAL 45 8.725 -1.221 2.290 307 HB VAL 45 HB VAL 45 5.671 -1.311 2.223 308 1HG1 VAL 45 1HG1 VAL 45 5.896 0.480 0.499 309 2HG1 VAL 45 2HG1 VAL 45 6.646 0.989 2.017 310 3HG1 VAL 45 3HG1 VAL 45 7.671 0.455 0.666 311 1HG2 VAL 45 1HG2 VAL 45 7.580 -2.100 -0.077 312 2HG2 VAL 45 2HG2 VAL 45 6.482 -3.201 0.787 313 3HG2 VAL 45 3HG2 VAL 45 5.814 -1.897 -0.205 314 H MET 46 H MET 46 5.969 -1.868 4.493 315 HA MET 46 HA MET 46 6.010 0.670 5.916 316 1HB MET 46 1HB MET 46 4.650 -0.496 7.699 317 2HB MET 46 2HB MET 46 4.008 -0.622 6.071 318 1HG MET 46 1HG MET 46 4.495 -2.957 5.893 319 2HG MET 46 2HG MET 46 5.740 -2.903 7.151 320 1HE MET 46 1HE MET 46 2.671 -5.198 8.022 321 2HE MET 46 2HE MET 46 4.291 -5.072 7.274 322 3HE MET 46 3HE MET 46 4.131 -5.082 9.055 323 NH1 ARG 47 NH1 ARG 47 10.615 -8.514 9.812 324 NH2 ARG 47 NH2 ARG 47 11.854 -8.358 7.914 325 H ARG 47 H ARG 47 7.739 -2.363 6.396 326 HA ARG 47 HA ARG 47 8.754 -1.882 9.129 327 1HB ARG 47 1HB ARG 47 8.728 -4.087 7.418 328 2HB ARG 47 2HB ARG 47 10.419 -3.613 7.338 329 1HG ARG 47 1HG ARG 47 9.138 -3.824 10.095 330 2HG ARG 47 2HG ARG 47 10.833 -4.005 9.640 331 1HD ARG 47 1HD ARG 47 8.781 -6.018 8.570 332 2HD ARG 47 2HD ARG 47 9.354 -6.171 10.229 333 HE ARG 47 HE ARG 47 11.633 -5.903 8.342 334 1HH1 ARG 47 1HH1 ARG 47 10.898 -9.500 9.821 335 2HH1 ARG 47 2HH1 ARG 47 10.000 -8.044 10.485 336 1HH2 ARG 47 1HH2 ARG 47 12.173 -7.775 7.132 337 2HH2 ARG 47 2HH2 ARG 47 12.068 -9.350 8.068 338 H MET 48 H MET 48 9.970 -1.221 5.870 339 HA MET 48 HA MET 48 12.617 -0.144 6.848 340 1HB MET 48 1HB MET 48 12.011 -1.465 4.547 341 2HB MET 48 2HB MET 48 11.753 0.169 3.959 342 1HG MET 48 1HG MET 48 14.377 -0.600 5.373 343 2HG MET 48 2HG MET 48 14.062 0.815 4.356 344 1HE MET 48 1HE MET 48 16.585 -1.468 2.241 345 2HE MET 48 2HE MET 48 16.239 0.234 2.663 346 3HE MET 48 3HE MET 48 16.539 -0.961 3.959 347 H LEU 49 H LEU 49 9.731 1.098 7.234 348 HA LEU 49 HA LEU 49 10.473 3.968 6.445 349 1HB LEU 49 1HB LEU 49 7.767 2.633 6.990 350 2HB LEU 49 2HB LEU 49 7.956 4.371 7.084 351 HG LEU 49 HG LEU 49 8.520 2.656 4.580 352 1HD1 LEU 49 1HD1 LEU 49 6.443 3.677 3.636 353 2HD1 LEU 49 2HD1 LEU 49 6.075 2.767 5.112 354 3HD1 LEU 49 3HD1 LEU 49 6.142 4.546 5.162 355 1HD2 LEU 49 1HD2 LEU 49 8.539 5.737 4.865 356 2HD2 LEU 49 2HD2 LEU 49 9.955 4.702 4.557 357 3HD2 LEU 49 3HD2 LEU 49 8.682 4.835 3.335 358 H GLY 50 H GLY 50 9.516 1.747 9.017 359 1HA GLY 50 1HA GLY 50 11.094 2.384 11.163 360 2HA GLY 50 2HA GLY 50 10.086 3.836 11.168 361 H GLN 51 H GLN 51 9.428 0.363 10.671 362 HA GLN 51 HA GLN 51 7.689 0.266 13.180 363 1HB GLN 51 1HB GLN 51 6.700 -0.656 10.415 364 2HB GLN 51 2HB GLN 51 5.928 -1.052 11.940 365 1HG GLN 51 1HG GLN 51 6.053 1.729 12.143 366 2HG GLN 51 2HG GLN 51 5.896 1.536 10.409 367 1HE2 GLN 51 1HE2 GLN 51 2.470 1.594 12.209 368 2HE2 GLN 51 2HE2 GLN 51 3.937 2.695 12.150 369 H ASN 52 H ASN 52 7.550 -1.802 14.056 370 HA ASN 52 HA ASN 52 9.598 -3.812 13.018 371 1HB ASN 52 1HB ASN 52 9.930 -4.247 15.641 372 2HB ASN 52 2HB ASN 52 10.847 -3.033 14.774 373 1HD2 ASN 52 1HD2 ASN 52 7.975 -1.938 17.593 374 2HD2 ASN 52 2HD2 ASN 52 8.142 -3.660 16.983 375 HA PRO 53 HA PRO 53 5.424 -5.987 14.321 376 1HB PRO 53 1HB PRO 53 4.324 -6.643 11.886 377 2HB PRO 53 2HB PRO 53 4.087 -5.079 12.681 378 1HG PRO 53 1HG PRO 53 4.933 -4.313 10.624 379 2HG PRO 53 2HG PRO 53 6.013 -5.705 10.377 380 1HD PRO 53 1HD PRO 53 7.647 -4.226 11.276 381 2HD PRO 53 2HD PRO 53 6.405 -3.195 12.048 382 H THR 54 H THR 54 4.773 -8.298 13.217 383 HA THR 54 HA THR 54 7.355 -9.938 13.128 384 HB THR 54 HB THR 54 4.634 -11.040 13.963 385 HG1 THR 54 HG1 THR 54 5.192 -10.646 16.000 386 1HG2 THR 54 1HG2 THR 54 5.938 -12.833 15.060 387 2HG2 THR 54 2HG2 THR 54 6.331 -12.781 13.326 388 3HG2 THR 54 3HG2 THR 54 7.472 -12.110 14.519 389 H LYS 55 H LYS 55 7.347 -11.803 11.758 390 HA LYS 55 HA LYS 55 6.475 -11.254 9.003 391 1HB LYS 55 1HB LYS 55 8.521 -12.568 9.477 392 2HB LYS 55 2HB LYS 55 7.595 -13.838 10.250 393 1HG LYS 55 1HG LYS 55 6.731 -13.259 7.437 394 2HG LYS 55 2HG LYS 55 6.955 -14.797 8.245 395 1HD LYS 55 1HD LYS 55 9.448 -13.173 7.521 396 2HD LYS 55 2HD LYS 55 9.269 -14.906 7.744 397 1HE LYS 55 1HE LYS 55 8.833 -13.282 5.271 398 2HE LYS 55 2HE LYS 55 9.341 -14.965 5.433 399 1HZ LYS 55 1HZ LYS 55 7.245 -15.155 4.528 400 2HZ LYS 55 2HZ LYS 55 6.848 -15.293 6.126 401 3HZ LYS 55 3HZ LYS 55 6.608 -13.862 5.336 402 H GLU 56 H GLU 56 5.250 -13.229 11.655 403 HA GLU 56 HA GLU 56 3.265 -14.820 10.239 404 1HB GLU 56 1HB GLU 56 4.114 -15.240 12.591 405 2HB GLU 56 2HB GLU 56 2.402 -15.492 12.316 406 1HG GLU 56 1HG GLU 56 3.737 -13.189 13.853 407 2HG GLU 56 2HG GLU 56 2.075 -13.053 13.303 408 H GLU 57 H GLU 57 3.225 -11.562 11.574 409 HA GLU 57 HA GLU 57 0.303 -11.071 11.398 410 1HB GLU 57 1HB GLU 57 2.447 -8.893 11.427 411 2HB GLU 57 2HB GLU 57 0.762 -8.751 11.885 412 1HG GLU 57 1HG GLU 57 3.048 -10.080 13.429 413 2HG GLU 57 2HG GLU 57 1.397 -10.581 13.756 414 H LEU 58 H LEU 58 3.096 -10.660 9.286 415 HA LEU 58 HA LEU 58 2.009 -9.060 7.142 416 1HB LEU 58 1HB LEU 58 4.446 -10.044 7.510 417 2HB LEU 58 2HB LEU 58 3.875 -11.419 6.589 418 HG LEU 58 HG LEU 58 4.269 -8.535 5.646 419 1HD1 LEU 58 1HD1 LEU 58 2.712 -10.634 4.008 420 2HD1 LEU 58 2HD1 LEU 58 1.935 -9.313 4.892 421 3HD1 LEU 58 3HD1 LEU 58 3.052 -8.944 3.556 422 1HD2 LEU 58 1HD2 LEU 58 5.654 -9.567 3.879 423 2HD2 LEU 58 2HD2 LEU 58 6.172 -10.230 5.450 424 3HD2 LEU 58 3HD2 LEU 58 5.155 -11.205 4.373 425 H ASP 59 H ASP 59 1.729 -12.509 7.861 426 HA ASP 59 HA ASP 59 0.448 -13.344 5.343 427 1HB ASP 59 1HB ASP 59 0.600 -14.747 8.065 428 2HB ASP 59 2HB ASP 59 -0.246 -15.434 6.698 429 H ALA 60 H ALA 60 -0.701 -12.138 8.441 430 HA ALA 60 HA ALA 60 -3.541 -12.806 8.207 431 1HB ALA 60 1HB ALA 60 -3.883 -11.161 10.046 432 2HB ALA 60 2HB ALA 60 -2.508 -12.231 10.380 433 3HB ALA 60 3HB ALA 60 -2.222 -10.553 9.853 434 H ILE 61 H ILE 61 -1.863 -9.668 7.749 435 HA ILE 61 HA ILE 61 -3.938 -8.036 6.770 436 HB ILE 61 HB ILE 61 -0.973 -7.961 6.437 437 1HG1 ILE 61 1HG1 ILE 61 -1.814 -5.337 6.858 438 2HG1 ILE 61 2HG1 ILE 61 -3.153 -6.205 7.579 439 1HG2 ILE 61 1HG2 ILE 61 -0.982 -6.110 4.744 440 2HG2 ILE 61 2HG2 ILE 61 -1.629 -7.594 4.047 441 3HG2 ILE 61 3HG2 ILE 61 -2.740 -6.291 4.528 442 1HD1 ILE 61 1HD1 ILE 61 -0.223 -6.516 8.459 443 2HD1 ILE 61 2HD1 ILE 61 -1.542 -5.707 9.332 444 3HD1 ILE 61 3HD1 ILE 61 -1.588 -7.470 9.101 445 H ILE 62 H ILE 62 -2.044 -10.529 5.155 446 HA ILE 62 HA ILE 62 -2.831 -10.001 2.358 447 HB ILE 62 HB ILE 62 -1.621 -12.433 3.733 448 1HG1 ILE 62 1HG1 ILE 62 -0.278 -10.236 2.980 449 2HG1 ILE 62 2HG1 ILE 62 -0.429 -10.891 1.364 450 1HG2 ILE 62 1HG2 ILE 62 -1.471 -13.614 1.526 451 2HG2 ILE 62 2HG2 ILE 62 -3.156 -13.365 1.975 452 3HG2 ILE 62 3HG2 ILE 62 -2.411 -12.318 0.746 453 1HD1 ILE 62 1HD1 ILE 62 0.815 -12.953 1.951 454 2HD1 ILE 62 2HD1 ILE 62 1.748 -11.509 2.395 455 3HD1 ILE 62 3HD1 ILE 62 0.908 -12.438 3.658 456 H GLU 63 H GLU 63 -3.997 -12.253 4.870 457 HA GLU 63 HA GLU 63 -6.072 -13.634 3.496 458 1HB GLU 63 1HB GLU 63 -7.218 -13.237 6.032 459 2HB GLU 63 2HB GLU 63 -5.504 -13.048 6.346 460 1HG GLU 63 1HG GLU 63 -5.186 -15.339 5.070 461 2HG GLU 63 2HG GLU 63 -6.930 -15.512 5.183 462 H GLU 64 H GLU 64 -6.141 -10.413 4.975 463 HA GLU 64 HA GLU 64 -9.045 -9.924 4.611 464 1HB GLU 64 1HB GLU 64 -7.764 -8.805 6.402 465 2HB GLU 64 2HB GLU 64 -6.781 -7.954 5.227 466 1HG GLU 64 1HG GLU 64 -8.397 -6.352 5.994 467 2HG GLU 64 2HG GLU 64 -8.920 -6.788 4.376 468 H VAL 65 H VAL 65 -6.087 -9.172 2.825 469 HA VAL 65 HA VAL 65 -7.695 -7.833 0.587 470 HB VAL 65 HB VAL 65 -4.723 -7.479 0.579 471 1HG1 VAL 65 1HG1 VAL 65 -5.334 -5.171 -0.168 472 2HG1 VAL 65 2HG1 VAL 65 -6.166 -6.392 -1.149 473 3HG1 VAL 65 3HG1 VAL 65 -7.061 -5.507 0.110 474 1HG2 VAL 65 1HG2 VAL 65 -6.419 -5.996 2.704 475 2HG2 VAL 65 2HG2 VAL 65 -5.098 -7.144 3.026 476 3HG2 VAL 65 3HG2 VAL 65 -4.746 -5.597 2.243 477 H ASP 66 H ASP 66 -7.528 -10.663 1.024 478 HA ASP 66 HA ASP 66 -6.726 -11.464 -1.756 479 1HB ASP 66 1HB ASP 66 -5.467 -13.174 0.435 480 2HB ASP 66 2HB ASP 66 -4.637 -11.748 -0.143 481 H GLU 67 H GLU 67 -9.126 -11.156 -0.239 482 HA GLU 67 HA GLU 67 -10.272 -13.852 0.378 483 1HB GLU 67 1HB GLU 67 -12.513 -12.377 0.120 484 2HB GLU 67 2HB GLU 67 -11.546 -12.441 1.580 485 1HG GLU 67 1HG GLU 67 -10.688 -10.244 1.294 486 2HG GLU 67 2HG GLU 67 -10.873 -10.268 -0.452 487 H ASP 68 H ASP 68 -10.326 -11.522 -2.301 488 HA ASP 68 HA ASP 68 -10.743 -13.723 -4.318 489 1HB ASP 68 1HB ASP 68 -12.727 -11.555 -4.821 490 2HB ASP 68 2HB ASP 68 -12.837 -13.280 -5.083 491 H GLY 69 H GLY 69 -10.623 -12.823 -6.549 492 1HA GLY 69 1HA GLY 69 -9.382 -10.135 -7.008 493 2HA GLY 69 2HA GLY 69 -9.634 -11.381 -8.234 494 H SER 70 H SER 70 -7.328 -9.942 -8.167 495 HA SER 70 HA SER 70 -5.267 -12.100 -8.073 496 1HB SER 70 1HB SER 70 -4.628 -9.199 -8.748 497 2HB SER 70 2HB SER 70 -3.893 -10.681 -9.364 498 HG SER 70 HG SER 70 -6.107 -11.123 -10.202 499 H GLY 71 H GLY 71 -2.964 -11.032 -7.369 500 1HA GLY 71 1HA GLY 71 -3.240 -10.269 -4.399 501 2HA GLY 71 2HA GLY 71 -1.965 -11.325 -5.015 502 H THR 72 H THR 72 -3.296 -8.149 -5.965 503 HA THR 72 HA THR 72 -0.480 -6.979 -5.937 504 HB THR 72 HB THR 72 -1.349 -5.473 -7.911 505 HG1 THR 72 HG1 THR 72 -2.636 -6.944 -9.278 506 1HG2 THR 72 1HG2 THR 72 -0.726 -8.321 -8.824 507 2HG2 THR 72 2HG2 THR 72 -0.243 -6.777 -9.561 508 3HG2 THR 72 3HG2 THR 72 0.540 -7.335 -8.060 509 H ILE 73 H ILE 73 -0.444 -4.630 -5.707 510 HA ILE 73 HA ILE 73 -2.854 -3.358 -4.441 511 HB ILE 73 HB ILE 73 -1.482 -4.658 -2.656 512 1HG1 ILE 73 1HG1 ILE 73 -3.377 -2.754 -2.476 513 2HG1 ILE 73 2HG1 ILE 73 -2.068 -1.811 -1.786 514 1HG2 ILE 73 1HG2 ILE 73 0.337 -3.480 -1.478 515 2HG2 ILE 73 2HG2 ILE 73 0.813 -3.725 -3.164 516 3HG2 ILE 73 3HG2 ILE 73 0.273 -2.118 -2.621 517 1HD1 ILE 73 1HD1 ILE 73 -3.152 -4.458 -0.646 518 2HD1 ILE 73 2HD1 ILE 73 -1.669 -3.671 -0.064 519 3HD1 ILE 73 3HD1 ILE 73 -3.230 -2.829 0.081 520 H ASP 74 H ASP 74 -2.835 -1.139 -4.501 521 HA ASP 74 HA ASP 74 -0.688 0.137 -6.262 522 1HB ASP 74 1HB ASP 74 -2.393 1.888 -6.812 523 2HB ASP 74 2HB ASP 74 -2.813 0.277 -7.349 524 H PHE 75 H PHE 75 -0.819 2.692 -5.821 525 HA PHE 75 HA PHE 75 0.583 3.052 -3.228 526 1HB PHE 75 1HB PHE 75 -0.251 5.292 -5.153 527 2HB PHE 75 2HB PHE 75 1.087 4.229 -5.506 528 HD1 PHE 75 HD1 PHE 75 0.596 7.413 -4.553 529 HD2 PHE 75 HD2 PHE 75 2.519 3.928 -2.917 530 HE1 PHE 75 HE1 PHE 75 2.062 8.847 -3.194 531 HE2 PHE 75 HE2 PHE 75 3.973 5.381 -1.562 532 HZ PHE 75 HZ PHE 75 3.767 7.837 -1.716 533 H GLU 76 H GLU 76 -2.653 3.565 -4.458 534 HA GLU 76 HA GLU 76 -3.632 5.527 -2.515 535 1HB GLU 76 1HB GLU 76 -5.965 4.484 -3.180 536 2HB GLU 76 2HB GLU 76 -5.055 3.564 -4.362 537 1HG GLU 76 1HG GLU 76 -4.704 6.606 -4.294 538 2HG GLU 76 2HG GLU 76 -4.472 5.502 -5.639 539 H GLU 77 H GLU 77 -4.682 2.128 -2.735 540 HA GLU 77 HA GLU 77 -5.611 1.701 -0.053 541 1HB GLU 77 1HB GLU 77 -4.195 -0.451 -1.708 542 2HB GLU 77 2HB GLU 77 -5.300 -0.701 -0.370 543 1HG GLU 77 1HG GLU 77 -7.093 0.567 -1.861 544 2HG GLU 77 2HG GLU 77 -5.965 0.331 -3.185 545 H PHE 78 H PHE 78 -2.347 1.734 -1.363 546 HA PHE 78 HA PHE 78 -0.846 0.513 0.779 547 1HB PHE 78 1HB PHE 78 -0.128 2.520 -1.389 548 2HB PHE 78 2HB PHE 78 0.367 0.856 -1.218 549 HD1 PHE 78 HD1 PHE 78 1.140 1.336 1.924 550 HD2 PHE 78 HD2 PHE 78 2.163 3.338 -1.744 551 HE1 PHE 78 HE1 PHE 78 3.319 1.981 2.871 552 HE2 PHE 78 HE2 PHE 78 4.356 3.932 -0.798 553 HZ PHE 78 HZ PHE 78 4.924 3.287 1.519 554 H LEU 79 H LEU 79 -1.721 3.935 0.247 555 HA LEU 79 HA LEU 79 -0.549 5.038 2.728 556 1HB LEU 79 1HB LEU 79 -2.199 6.983 2.274 557 2HB LEU 79 2HB LEU 79 -2.745 6.102 0.863 558 HG LEU 79 HG LEU 79 -0.395 6.185 -0.097 559 1HD1 LEU 79 1HD1 LEU 79 -0.462 8.600 -0.733 560 2HD1 LEU 79 2HD1 LEU 79 -2.092 7.901 -0.767 561 3HD1 LEU 79 3HD1 LEU 79 -1.604 8.945 0.591 562 1HD2 LEU 79 1HD2 LEU 79 0.232 8.008 2.321 563 2HD2 LEU 79 2HD2 LEU 79 0.953 6.412 1.993 564 3HD2 LEU 79 3HD2 LEU 79 1.285 7.767 0.904 565 H VAL 80 H VAL 80 -3.579 3.492 1.861 566 HA VAL 80 HA VAL 80 -5.200 4.353 4.152 567 HB VAL 80 HB VAL 80 -5.570 2.043 2.190 568 1HG1 VAL 80 1HG1 VAL 80 -7.248 4.610 2.501 569 2HG1 VAL 80 2HG1 VAL 80 -5.891 4.475 1.374 570 3HG1 VAL 80 3HG1 VAL 80 -7.307 3.417 1.178 571 1HG2 VAL 80 1HG2 VAL 80 -7.827 1.626 3.055 572 2HG2 VAL 80 2HG2 VAL 80 -6.704 1.449 4.424 573 3HG2 VAL 80 3HG2 VAL 80 -7.675 2.920 4.269 574 H MET 81 H MET 81 -2.917 1.734 3.603 575 HA MET 81 HA MET 81 -3.650 0.223 6.114 576 1HB MET 81 1HB MET 81 -1.926 -1.411 5.431 577 2HB MET 81 2HB MET 81 -1.315 -0.333 4.189 578 1HG MET 81 1HG MET 81 -3.675 -0.487 3.063 579 2HG MET 81 2HG MET 81 -4.013 -1.804 4.196 580 1HE MET 81 1HE MET 81 -3.077 -4.596 1.885 581 2HE MET 81 2HE MET 81 -3.451 -4.309 3.611 582 3HE MET 81 3HE MET 81 -4.438 -3.523 2.343 583 H MET 82 H MET 82 -1.200 2.477 4.967 584 HA MET 82 HA MET 82 0.732 2.292 7.177 585 1HB MET 82 1HB MET 82 0.131 4.351 5.067 586 2HB MET 82 2HB MET 82 0.832 4.992 6.542 587 1HG MET 82 1HG MET 82 2.332 4.042 4.449 588 2HG MET 82 2HG MET 82 2.227 2.556 5.407 589 1HE MET 82 1HE MET 82 5.276 2.747 6.498 590 2HE MET 82 2HE MET 82 4.478 2.717 8.099 591 3HE MET 82 3HE MET 82 3.722 1.881 6.711 592 H VAL 83 H VAL 83 -2.079 4.435 6.658 593 HA VAL 83 HA VAL 83 -2.291 5.791 9.170 594 HB VAL 83 HB VAL 83 -4.016 6.614 8.014 595 1HG1 VAL 83 1HG1 VAL 83 -5.714 4.174 8.777 596 2HG1 VAL 83 2HG1 VAL 83 -5.254 5.432 9.933 597 3HG1 VAL 83 3HG1 VAL 83 -6.251 5.855 8.521 598 1HG2 VAL 83 1HG2 VAL 83 -5.167 5.677 6.092 599 2HG2 VAL 83 2HG2 VAL 83 -3.475 5.147 5.950 600 3HG2 VAL 83 3HG2 VAL 83 -4.704 4.010 6.523 601 NH1 ARG 84 NH1 ARG 84 -9.130 -1.567 9.113 602 NH2 ARG 84 NH2 ARG 84 -10.420 -1.293 7.262 603 H ARG 84 H ARG 84 -4.455 3.125 8.372 604 HA ARG 84 HA ARG 84 -5.402 2.044 10.704 605 1HB ARG 84 1HB ARG 84 -4.767 -0.365 9.556 606 2HB ARG 84 2HB ARG 84 -4.440 0.688 8.186 607 1HG ARG 84 1HG ARG 84 -7.116 0.472 9.686 608 2HG ARG 84 2HG ARG 84 -6.792 1.710 8.471 609 1HD ARG 84 1HD ARG 84 -6.323 -0.082 6.744 610 2HD ARG 84 2HD ARG 84 -6.636 -1.334 7.944 611 HE ARG 84 HE ARG 84 -8.725 0.422 6.650 612 1HH1 ARG 84 1HH1 ARG 84 -9.897 -2.153 9.463 613 2HH1 ARG 84 2HH1 ARG 84 -8.243 -1.366 9.587 614 1HH2 ARG 84 1HH2 ARG 84 -10.541 -0.842 6.348 615 2HH2 ARG 84 2HH2 ARG 84 -11.072 -1.939 7.720 616 H GLN 85 H GLN 85 -2.030 1.615 9.623 617 HA GLN 85 HA GLN 85 -1.269 -0.439 11.615 618 1HB GLN 85 1HB GLN 85 0.297 1.362 9.723 619 2HB GLN 85 2HB GLN 85 1.152 0.583 11.042 620 1HG GLN 85 1HG GLN 85 -0.045 -0.639 8.563 621 2HG GLN 85 2HG GLN 85 1.474 -0.988 9.362 622 1HE2 GLN 85 1HE2 GLN 85 0.070 -3.646 11.376 623 2HE2 GLN 85 2HE2 GLN 85 1.505 -2.548 11.059 624 H MET 86 H MET 86 -0.400 3.019 11.362 625 HA MET 86 HA MET 86 1.001 3.385 13.828 626 1HB MET 86 1HB MET 86 -0.772 5.481 12.440 627 2HB MET 86 2HB MET 86 0.880 5.092 11.996 628 1HG MET 86 1HG MET 86 0.495 5.879 14.896 629 2HG MET 86 2HG MET 86 0.213 7.147 13.692 630 1HE MET 86 1HE MET 86 1.611 7.212 11.539 631 2HE MET 86 2HE MET 86 3.304 7.729 11.796 632 3HE MET 86 3HE MET 86 2.953 6.052 11.286 633 H LYS 87 H LYS 87 -2.454 3.274 13.185 634 HA LYS 87 HA LYS 87 -3.439 4.190 15.806 635 1HB LYS 87 1HB LYS 87 -4.663 3.522 13.373 636 2HB LYS 87 2HB LYS 87 -5.185 2.203 14.399 637 1HG LYS 87 1HG LYS 87 -5.530 4.688 15.889 638 2HG LYS 87 2HG LYS 87 -6.158 4.944 14.274 639 1HD LYS 87 1HD LYS 87 -7.042 2.366 15.605 640 2HD LYS 87 2HD LYS 87 -7.573 3.851 16.380 641 1HE LYS 87 1HE LYS 87 -8.168 4.414 13.696 642 2HE LYS 87 2HE LYS 87 -8.481 2.679 13.772 643 1HZ LYS 87 1HZ LYS 87 -10.458 3.391 14.563 644 2HZ LYS 87 2HZ LYS 87 -9.693 3.535 16.020 645 3HZ LYS 87 3HZ LYS 87 -9.897 4.863 15.060 646 H GLU 88 H GLU 88 -3.129 0.905 14.398 647 HA GLU 88 HA GLU 88 -2.880 -1.268 15.387 648 1HB GLU 88 1HB GLU 88 -0.754 -0.431 16.147 649 2HB GLU 88 2HB GLU 88 -1.472 0.467 17.469 650 1HG GLU 88 1HG GLU 88 -2.279 -1.996 18.285 651 2HG GLU 88 2HG GLU 88 -0.970 -2.536 17.247 652 H ASP 89 H ASP 89 -3.150 0.209 18.550 653 HA ASP 89 HA ASP 89 -4.744 -0.035 20.327 654 1HB ASP 89 1HB ASP 89 -7.057 0.005 18.377 655 2HB ASP 89 2HB ASP 89 -5.976 1.380 18.356 656 H ALA 90 H ALA 90 -7.139 -1.294 20.524 657 HA ALA 90 HA ALA 90 -8.056 -3.454 21.080 658 1HB ALA 90 1HB ALA 90 -8.029 -5.186 19.385 659 2HB ALA 90 2HB ALA 90 -8.053 -3.656 18.486 660 3HB ALA 90 3HB ALA 90 -6.534 -4.574 18.634 Start of MODEL 28 Raw file had 660 H/Q atoms Start of MODEL 28 1 1H ALA 1 1H ALA 1 -21.532 2.678 7.368 2 2H ALA 1 2H ALA 1 -20.815 1.703 8.535 3 3H ALA 1 3H ALA 1 -19.891 2.323 7.274 4 HA ALA 1 HA ALA 1 -20.932 -0.130 7.360 5 1HB ALA 1 1HB ALA 1 -22.783 0.251 5.378 6 2HB ALA 1 2HB ALA 1 -23.220 0.192 7.096 7 3HB ALA 1 3HB ALA 1 -23.042 1.765 6.278 8 H SER 2 H SER 2 -19.565 -1.083 6.033 9 HA SER 2 HA SER 2 -18.008 -1.530 4.252 10 1HB SER 2 1HB SER 2 -19.486 0.470 2.496 11 2HB SER 2 2HB SER 2 -18.708 -1.052 2.054 12 HG SER 2 HG SER 2 -21.142 -0.812 2.394 13 H MET 3 H MET 3 -17.111 0.269 2.248 14 HA MET 3 HA MET 3 -15.306 2.119 3.870 15 1HB MET 3 1HB MET 3 -15.016 1.180 0.955 16 2HB MET 3 2HB MET 3 -13.910 2.257 1.788 17 1HG MET 3 1HG MET 3 -12.725 0.362 2.293 18 2HG MET 3 2HG MET 3 -13.936 0.088 3.556 19 1HE MET 3 1HE MET 3 -14.430 -2.230 3.875 20 2HE MET 3 2HE MET 3 -16.049 -1.731 3.303 21 3HE MET 3 3HE MET 3 -15.321 -3.249 2.702 22 H THR 4 H THR 4 -17.173 3.514 4.194 23 HA THR 4 HA THR 4 -18.737 4.863 2.176 24 HB THR 4 HB THR 4 -17.876 6.150 4.812 25 HG1 THR 4 HG1 THR 4 -18.712 4.285 5.387 26 1HG2 THR 4 1HG2 THR 4 -20.060 7.297 4.774 27 2HG2 THR 4 2HG2 THR 4 -19.145 7.744 3.317 28 3HG2 THR 4 3HG2 THR 4 -20.486 6.574 3.208 29 H ASP 5 H ASP 5 -15.484 5.458 3.390 30 HA ASP 5 HA ASP 5 -14.383 6.671 1.025 31 1HB ASP 5 1HB ASP 5 -14.258 9.142 1.790 32 2HB ASP 5 2HB ASP 5 -15.720 8.576 1.017 33 H GLN 6 H GLN 6 -13.319 4.906 2.511 34 HA GLN 6 HA GLN 6 -11.564 5.902 4.734 35 1HB GLN 6 1HB GLN 6 -12.486 3.364 3.975 36 2HB GLN 6 2HB GLN 6 -10.815 3.320 3.441 37 1HG GLN 6 1HG GLN 6 -10.557 4.398 6.028 38 2HG GLN 6 2HG GLN 6 -10.226 2.746 5.549 39 1HE2 GLN 6 1HE2 GLN 6 -12.953 1.451 7.475 40 2HE2 GLN 6 2HE2 GLN 6 -11.402 1.167 6.537 41 H GLN 7 H GLN 7 -11.287 5.098 1.295 42 HA GLN 7 HA GLN 7 -8.488 5.241 0.765 43 1HB GLN 7 1HB GLN 7 -9.765 4.704 -1.129 44 2HB GLN 7 2HB GLN 7 -10.917 6.003 -0.873 45 1HG GLN 7 1HG GLN 7 -8.907 7.635 -1.459 46 2HG GLN 7 2HG GLN 7 -8.115 6.209 -2.097 47 1HE2 GLN 7 1HE2 GLN 7 -10.024 6.270 -5.128 48 2HE2 GLN 7 2HE2 GLN 7 -8.746 5.438 -4.108 49 H ALA 8 H ALA 8 -10.731 8.027 0.453 50 HA ALA 8 HA ALA 8 -8.626 10.058 0.193 51 1HB ALA 8 1HB ALA 8 -10.727 11.617 0.807 52 2HB ALA 8 2HB ALA 8 -10.602 10.803 -0.764 53 3HB ALA 8 3HB ALA 8 -11.647 10.123 0.508 54 H GLU 9 H GLU 9 -10.384 8.681 2.908 55 HA GLU 9 HA GLU 9 -10.081 10.680 4.953 56 1HB GLU 9 1HB GLU 9 -10.676 7.775 4.935 57 2HB GLU 9 2HB GLU 9 -9.832 8.276 6.387 58 1HG GLU 9 1HG GLU 9 -12.577 9.186 5.376 59 2HG GLU 9 2HG GLU 9 -11.689 10.218 6.483 60 H ALA 10 H ALA 10 -7.812 8.278 3.724 61 HA ALA 10 HA ALA 10 -5.789 8.422 5.851 62 1HB ALA 10 1HB ALA 10 -4.312 7.209 4.254 63 2HB ALA 10 2HB ALA 10 -5.930 6.484 4.314 64 3HB ALA 10 3HB ALA 10 -5.460 7.496 2.925 65 NH1 ARG 11 NH1 ARG 11 -5.771 13.855 -3.328 66 NH2 ARG 11 NH2 ARG 11 -5.492 11.632 -3.703 67 H ARG 11 H ARG 11 -6.105 10.000 2.671 68 HA ARG 11 HA ARG 11 -3.492 11.409 2.682 69 1HB ARG 11 1HB ARG 11 -4.861 10.820 0.596 70 2HB ARG 11 2HB ARG 11 -4.136 12.420 0.658 71 1HG ARG 11 1HG ARG 11 -7.075 11.674 0.801 72 2HG ARG 11 2HG ARG 11 -6.565 13.128 1.662 73 1HD ARG 11 1HD ARG 11 -7.134 13.974 -0.490 74 2HD ARG 11 2HD ARG 11 -5.377 13.861 -0.572 75 HE ARG 11 HE ARG 11 -6.919 11.470 -1.618 76 1HH1 ARG 11 1HH1 ARG 11 -5.063 11.916 -4.590 77 2HH1 ARG 11 2HH1 ARG 11 -5.659 10.673 -3.379 78 1HH2 ARG 11 1HH2 ARG 11 -5.981 14.599 -2.655 79 2HH2 ARG 11 2HH2 ARG 11 -5.492 13.974 -4.309 80 H ALA 12 H ALA 12 -6.742 12.124 3.814 81 HA ALA 12 HA ALA 12 -6.622 15.005 4.138 82 1HB ALA 12 1HB ALA 12 -8.473 14.760 5.779 83 2HB ALA 12 2HB ALA 12 -8.747 13.749 4.347 84 3HB ALA 12 3HB ALA 12 -8.204 13.003 5.871 85 H PHE 13 H PHE 13 -5.364 12.369 6.104 86 HA PHE 13 HA PHE 13 -4.592 14.094 8.430 87 1HB PHE 13 1HB PHE 13 -3.965 11.142 7.831 88 2HB PHE 13 2HB PHE 13 -5.321 11.725 8.758 89 HD1 PHE 13 HD1 PHE 13 -4.455 10.204 10.618 90 HD2 PHE 13 HD2 PHE 13 -2.167 13.590 9.264 91 HE1 PHE 13 HE1 PHE 13 -3.014 10.041 12.607 92 HE2 PHE 13 HE2 PHE 13 -0.716 13.387 11.240 93 HZ PHE 13 HZ PHE 13 -1.129 11.611 12.908 94 H LEU 14 H LEU 14 -2.866 12.150 5.974 95 HA LEU 14 HA LEU 14 -0.149 13.075 6.672 96 1HB LEU 14 1HB LEU 14 -0.869 11.954 3.923 97 2HB LEU 14 2HB LEU 14 0.646 11.834 4.790 98 HG LEU 14 HG LEU 14 -1.921 10.441 5.763 99 1HD1 LEU 14 1HD1 LEU 14 -1.061 8.344 4.711 100 2HD1 LEU 14 2HD1 LEU 14 -1.363 9.583 3.480 101 3HD1 LEU 14 3HD1 LEU 14 0.306 9.233 3.992 102 1HD2 LEU 14 1HD2 LEU 14 1.046 9.947 6.482 103 2HD2 LEU 14 2HD2 LEU 14 -0.183 10.679 7.542 104 3HD2 LEU 14 3HD2 LEU 14 -0.337 8.983 7.060 105 H SER 15 H SER 15 0.994 14.740 5.930 106 HA SER 15 HA SER 15 -0.296 17.133 4.856 107 1HB SER 15 1HB SER 15 2.304 17.775 4.489 108 2HB SER 15 2HB SER 15 2.552 16.362 5.518 109 HG SER 15 HG SER 15 1.510 17.303 7.123 110 H GLU 16 H GLU 16 0.794 18.280 2.905 111 HA GLU 16 HA GLU 16 0.153 16.689 0.452 112 1HB GLU 16 1HB GLU 16 -0.267 19.289 1.017 113 2HB GLU 16 2HB GLU 16 1.305 19.482 0.268 114 1HG GLU 16 1HG GLU 16 0.013 19.736 -1.635 115 2HG GLU 16 2HG GLU 16 0.184 17.991 -1.710 116 H GLU 17 H GLU 17 2.975 18.008 2.083 117 HA GLU 17 HA GLU 17 4.906 17.342 -0.136 118 1HB GLU 17 1HB GLU 17 5.366 19.387 1.035 119 2HB GLU 17 2HB GLU 17 5.286 18.621 2.609 120 1HG GLU 17 1HG GLU 17 7.450 17.820 0.571 121 2HG GLU 17 2HG GLU 17 7.639 19.233 1.596 122 H MET 18 H MET 18 3.932 16.162 3.050 123 HA MET 18 HA MET 18 5.828 14.029 3.547 124 1HB MET 18 1HB MET 18 4.178 14.627 5.251 125 2HB MET 18 2HB MET 18 2.838 14.178 4.211 126 1HG MET 18 1HG MET 18 4.335 11.771 4.341 127 2HG MET 18 2HG MET 18 2.857 12.147 5.241 128 1HE MET 18 1HE MET 18 6.215 14.054 5.408 129 2HE MET 18 2HE MET 18 6.931 13.585 6.978 130 3HE MET 18 3HE MET 18 7.022 12.464 5.588 131 H ILE 19 H ILE 19 3.051 14.267 1.388 132 HA ILE 19 HA ILE 19 2.817 11.447 0.596 133 HB ILE 19 HB ILE 19 1.889 14.004 -0.789 134 1HG1 ILE 19 1HG1 ILE 19 0.199 13.802 0.748 135 2HG1 ILE 19 2HG1 ILE 19 -0.393 12.513 -0.279 136 1HG2 ILE 19 1HG2 ILE 19 0.639 12.602 -2.447 137 2HG2 ILE 19 2HG2 ILE 19 2.372 12.320 -2.594 138 3HG2 ILE 19 3HG2 ILE 19 1.354 11.119 -1.767 139 1HD1 ILE 19 1HD1 ILE 19 1.311 12.067 2.242 140 2HD1 ILE 19 2HD1 ILE 19 -0.415 11.717 2.018 141 3HD1 ILE 19 3HD1 ILE 19 0.799 10.779 1.118 142 H ALA 20 H ALA 20 4.579 14.241 -0.740 143 HA ALA 20 HA ALA 20 5.644 13.126 -3.155 144 1HB ALA 20 1HB ALA 20 5.799 15.568 -2.096 145 2HB ALA 20 2HB ALA 20 7.386 15.016 -1.526 146 3HB ALA 20 3HB ALA 20 7.021 15.025 -3.271 147 H GLU 21 H GLU 21 6.815 12.877 0.182 148 HA GLU 21 HA GLU 21 9.398 11.554 -0.492 149 1HB GLU 21 1HB GLU 21 8.012 11.997 2.202 150 2HB GLU 21 2HB GLU 21 9.249 13.002 1.476 151 1HG GLU 21 1HG GLU 21 10.378 11.720 3.159 152 2HG GLU 21 2HG GLU 21 9.551 10.230 2.738 153 H PHE 22 H PHE 22 6.174 10.577 0.530 154 HA PHE 22 HA PHE 22 6.606 7.801 1.275 155 1HB PHE 22 1HB PHE 22 4.110 7.589 0.242 156 2HB PHE 22 2HB PHE 22 4.190 9.331 0.234 157 HD1 PHE 22 HD1 PHE 22 2.118 8.300 1.878 158 HD2 PHE 22 HD2 PHE 22 6.283 8.582 2.928 159 HE1 PHE 22 HE1 PHE 22 1.525 8.334 4.265 160 HE2 PHE 22 HE2 PHE 22 5.669 8.617 5.311 161 HZ PHE 22 HZ PHE 22 3.297 8.453 5.985 162 H LYS 23 H LYS 23 5.762 9.270 -1.868 163 HA LYS 23 HA LYS 23 5.538 6.972 -3.547 164 1HB LYS 23 1HB LYS 23 6.403 8.492 -5.458 165 2HB LYS 23 2HB LYS 23 6.647 9.750 -4.266 166 1HG LYS 23 1HG LYS 23 4.007 8.492 -5.176 167 2HG LYS 23 2HG LYS 23 4.084 9.396 -3.677 168 1HD LYS 23 1HD LYS 23 5.058 11.390 -5.096 169 2HD LYS 23 2HD LYS 23 4.635 10.438 -6.509 170 1HE LYS 23 1HE LYS 23 2.573 11.275 -4.380 171 2HE LYS 23 2HE LYS 23 2.870 12.178 -5.867 172 1HZ LYS 23 1HZ LYS 23 1.008 10.384 -5.764 173 2HZ LYS 23 2HZ LYS 23 1.919 10.507 -7.137 174 3HZ LYS 23 3HZ LYS 23 2.221 9.300 -6.051 175 H ALA 24 H ALA 24 8.422 8.659 -2.393 176 HA ALA 24 HA ALA 24 10.519 7.643 -4.045 177 1HB ALA 24 1HB ALA 24 12.057 8.034 -2.131 178 2HB ALA 24 2HB ALA 24 10.907 9.372 -2.314 179 3HB ALA 24 3HB ALA 24 10.680 8.176 -1.012 180 H ALA 25 H ALA 25 9.445 6.258 -0.919 181 HA ALA 25 HA ALA 25 11.107 3.878 -0.943 182 1HB ALA 25 1HB ALA 25 9.632 3.037 0.876 183 2HB ALA 25 2HB ALA 25 10.055 4.740 1.129 184 3HB ALA 25 3HB ALA 25 8.432 4.306 0.535 185 H PHE 26 H PHE 26 7.953 4.565 -2.330 186 HA PHE 26 HA PHE 26 7.000 1.842 -2.788 187 1HB PHE 26 1HB PHE 26 5.607 3.998 -2.839 188 2HB PHE 26 2HB PHE 26 6.239 4.331 -4.430 189 HD1 PHE 26 HD1 PHE 26 4.162 1.900 -2.449 190 HD2 PHE 26 HD2 PHE 26 5.324 3.168 -6.392 191 HE1 PHE 26 HE1 PHE 26 2.412 0.476 -3.435 192 HE2 PHE 26 HE2 PHE 26 3.550 1.761 -7.358 193 HZ PHE 26 HZ PHE 26 2.091 0.418 -5.885 194 H ASP 27 H ASP 27 8.945 4.102 -4.696 195 HA ASP 27 HA ASP 27 9.085 2.391 -7.138 196 1HB ASP 27 1HB ASP 27 10.999 4.714 -6.635 197 2HB ASP 27 2HB ASP 27 9.310 5.028 -6.958 198 H MET 28 H MET 28 10.998 2.943 -4.251 199 HA MET 28 HA MET 28 13.580 1.918 -4.875 200 1HB MET 28 1HB MET 28 11.979 1.979 -2.334 201 2HB MET 28 2HB MET 28 13.256 0.776 -2.376 202 1HG MET 28 1HG MET 28 13.749 3.758 -2.996 203 2HG MET 28 2HG MET 28 13.937 3.033 -1.392 204 1HE MET 28 1HE MET 28 16.040 3.738 -1.030 205 2HE MET 28 2HE MET 28 17.445 2.682 -1.359 206 3HE MET 28 3HE MET 28 17.131 4.097 -2.406 207 H PHE 29 H PHE 29 10.558 0.174 -4.392 208 HA PHE 29 HA PHE 29 11.903 -2.550 -4.689 209 1HB PHE 29 1HB PHE 29 8.944 -1.967 -4.040 210 2HB PHE 29 2HB PHE 29 9.716 -3.529 -4.047 211 HD1 PHE 29 HD1 PHE 29 11.297 -4.229 -2.239 212 HD2 PHE 29 HD2 PHE 29 9.369 -0.382 -2.105 213 HE1 PHE 29 HE1 PHE 29 11.855 -4.019 0.149 214 HE2 PHE 29 HE2 PHE 29 9.944 -0.190 0.280 215 HZ PHE 29 HZ PHE 29 11.184 -2.002 1.409 216 H ASP 30 H ASP 30 9.632 -0.334 -6.228 217 HA ASP 30 HA ASP 30 8.692 -2.219 -8.328 218 1HB ASP 30 1HB ASP 30 8.414 0.793 -8.663 219 2HB ASP 30 2HB ASP 30 7.537 0.004 -7.373 220 H ALA 31 H ALA 31 9.252 -2.254 -10.485 221 HA ALA 31 HA ALA 31 12.086 -1.702 -11.184 222 1HB ALA 31 1HB ALA 31 11.509 -2.732 -13.386 223 2HB ALA 31 2HB ALA 31 10.944 -3.725 -12.029 224 3HB ALA 31 3HB ALA 31 9.781 -2.746 -12.960 225 H ASP 32 H ASP 32 9.382 -0.937 -13.317 226 HA ASP 32 HA ASP 32 9.901 2.039 -13.257 227 1HB ASP 32 1HB ASP 32 10.046 0.684 -15.997 228 2HB ASP 32 2HB ASP 32 11.482 0.927 -15.028 229 H GLY 33 H GLY 33 7.963 2.807 -12.937 230 1HA GLY 33 1HA GLY 33 5.681 2.885 -14.575 231 2HA GLY 33 2HA GLY 33 5.449 1.343 -13.746 232 H GLY 34 H GLY 34 6.595 2.015 -11.242 233 1HA GLY 34 1HA GLY 34 5.796 2.763 -9.072 234 2HA GLY 34 2HA GLY 34 5.721 4.348 -9.849 235 H GLY 35 H GLY 35 3.884 1.294 -10.143 236 1HA GLY 35 1HA GLY 35 1.412 1.561 -11.034 237 2HA GLY 35 2HA GLY 35 1.267 2.864 -9.849 238 H ASP 36 H ASP 36 2.642 -0.426 -9.714 239 HA ASP 36 HA ASP 36 1.099 -1.022 -7.150 240 1HB ASP 36 1HB ASP 36 0.755 -3.436 -8.398 241 2HB ASP 36 2HB ASP 36 0.682 -2.397 -9.803 242 H ILE 37 H ILE 37 1.840 -3.118 -6.213 243 HA ILE 37 HA ILE 37 4.688 -3.976 -6.887 244 HB ILE 37 HB ILE 37 5.173 -3.889 -4.315 245 1HG1 ILE 37 1HG1 ILE 37 3.072 -1.629 -4.504 246 2HG1 ILE 37 2HG1 ILE 37 2.945 -3.072 -3.521 247 1HG2 ILE 37 1HG2 ILE 37 6.352 -1.707 -4.611 248 2HG2 ILE 37 2HG2 ILE 37 6.468 -2.668 -6.092 249 3HG2 ILE 37 3HG2 ILE 37 5.330 -1.303 -6.011 250 1HD1 ILE 37 1HD1 ILE 37 5.005 -0.840 -3.052 251 2HD1 ILE 37 2HD1 ILE 37 3.574 -1.224 -2.072 252 3HD1 ILE 37 3HD1 ILE 37 4.935 -2.368 -2.134 253 H SER 38 H SER 38 5.224 -5.897 -5.423 254 HA SER 38 HA SER 38 3.067 -7.954 -5.572 255 1HB SER 38 1HB SER 38 5.663 -8.473 -4.091 256 2HB SER 38 2HB SER 38 5.724 -8.188 -5.832 257 HG SER 38 HG SER 38 5.373 -10.396 -5.007 258 H THR 39 H THR 39 2.494 -9.271 -3.699 259 HA THR 39 HA THR 39 1.618 -7.597 -1.366 260 HB THR 39 HB THR 39 0.188 -9.390 -2.589 261 HG1 THR 39 HG1 THR 39 0.382 -8.649 0.035 262 1HG2 THR 39 1HG2 THR 39 0.115 -11.638 -1.603 263 2HG2 THR 39 2HG2 THR 39 1.729 -11.378 -2.306 264 3HG2 THR 39 3HG2 THR 39 1.497 -11.284 -0.540 265 H LYS 40 H LYS 40 3.952 -10.126 -2.102 266 HA LYS 40 HA LYS 40 4.609 -10.907 0.671 267 1HB LYS 40 1HB LYS 40 5.537 -11.629 -2.046 268 2HB LYS 40 2HB LYS 40 5.378 -12.623 -0.614 269 1HG LYS 40 1HG LYS 40 7.738 -12.264 -1.726 270 2HG LYS 40 2HG LYS 40 7.741 -10.693 -0.950 271 1HD LYS 40 1HD LYS 40 8.132 -11.573 1.179 272 2HD LYS 40 2HD LYS 40 7.087 -12.957 0.902 273 1HE LYS 40 1HE LYS 40 10.044 -12.715 0.442 274 2HE LYS 40 2HE LYS 40 9.189 -13.588 -0.831 275 1HZ LYS 40 1HZ LYS 40 8.559 -15.239 0.646 276 2HZ LYS 40 2HZ LYS 40 10.023 -14.821 1.288 277 3HZ LYS 40 3HZ LYS 40 8.629 -14.277 1.987 278 H GLU 41 H GLU 41 5.804 -8.526 -1.633 279 HA GLU 41 HA GLU 41 8.203 -7.756 0.010 280 1HB GLU 41 1HB GLU 41 7.129 -6.850 -2.689 281 2HB GLU 41 2HB GLU 41 8.335 -5.887 -1.860 282 1HG GLU 41 1HG GLU 41 8.880 -8.872 -2.264 283 2HG GLU 41 2HG GLU 41 10.031 -7.562 -2.067 284 H LEU 42 H LEU 42 5.064 -6.379 -0.931 285 HA LEU 42 HA LEU 42 5.009 -3.775 -0.014 286 1HB LEU 42 1HB LEU 42 2.845 -4.044 -0.523 287 2HB LEU 42 2HB LEU 42 3.017 -5.785 -0.487 288 HG LEU 42 HG LEU 42 2.511 -4.234 2.111 289 1HD1 LEU 42 1HD1 LEU 42 0.046 -4.589 1.789 290 2HD1 LEU 42 2HD1 LEU 42 0.706 -3.509 0.552 291 3HD1 LEU 42 3HD1 LEU 42 0.335 -5.202 0.141 292 1HD2 LEU 42 1HD2 LEU 42 1.828 -7.137 1.287 293 2HD2 LEU 42 2HD2 LEU 42 3.161 -6.640 2.359 294 3HD2 LEU 42 3HD2 LEU 42 1.481 -6.387 2.867 295 H GLY 43 H GLY 43 4.537 -6.635 2.078 296 1HA GLY 43 1HA GLY 43 4.396 -5.503 4.722 297 2HA GLY 43 2HA GLY 43 5.184 -7.045 4.368 298 H THR 44 H THR 44 7.392 -6.819 3.285 299 HA THR 44 HA THR 44 9.361 -5.869 4.977 300 HB THR 44 HB THR 44 9.458 -6.293 1.981 301 HG1 THR 44 HG1 THR 44 9.889 -8.138 2.707 302 1HG2 THR 44 1HG2 THR 44 11.947 -6.063 1.997 303 2HG2 THR 44 2HG2 THR 44 11.157 -4.498 2.282 304 3HG2 THR 44 3HG2 THR 44 11.889 -5.386 3.643 305 H VAL 45 H VAL 45 7.532 -3.956 2.695 306 HA VAL 45 HA VAL 45 9.255 -1.595 2.515 307 HB VAL 45 HB VAL 45 6.219 -1.566 2.150 308 1HG1 VAL 45 1HG1 VAL 45 8.278 -2.189 -0.058 309 2HG1 VAL 45 2HG1 VAL 45 7.337 -3.435 0.772 310 3HG1 VAL 45 3HG1 VAL 45 6.500 -2.198 -0.192 311 1HG2 VAL 45 1HG2 VAL 45 6.550 0.328 0.647 312 2HG2 VAL 45 2HG2 VAL 45 7.436 0.714 2.140 313 3HG2 VAL 45 3HG2 VAL 45 8.324 0.168 0.710 314 H MET 46 H MET 46 6.289 -2.218 4.432 315 HA MET 46 HA MET 46 6.188 0.231 5.944 316 1HB MET 46 1HB MET 46 5.014 -2.520 6.338 317 2HB MET 46 2HB MET 46 5.105 -1.513 7.772 318 1HG MET 46 1HG MET 46 3.684 -0.724 5.148 319 2HG MET 46 2HG MET 46 3.808 0.314 6.577 320 1HE MET 46 1HE MET 46 1.353 0.634 6.652 321 2HE MET 46 2HE MET 46 0.280 -0.454 7.580 322 3HE MET 46 3HE MET 46 1.684 0.309 8.382 323 NH1 ARG 47 NH1 ARG 47 14.174 -6.399 8.715 324 NH2 ARG 47 NH2 ARG 47 14.624 -6.115 10.923 325 H ARG 47 H ARG 47 8.057 -2.719 6.443 326 HA ARG 47 HA ARG 47 8.968 -2.075 9.231 327 1HB ARG 47 1HB ARG 47 8.676 -4.456 8.147 328 2HB ARG 47 2HB ARG 47 10.227 -4.159 7.376 329 1HG ARG 47 1HG ARG 47 9.639 -4.780 10.247 330 2HG ARG 47 2HG ARG 47 10.838 -3.504 10.028 331 1HD ARG 47 1HD ARG 47 11.031 -6.439 9.341 332 2HD ARG 47 2HD ARG 47 11.747 -5.358 8.148 333 HE ARG 47 HE ARG 47 12.645 -4.607 10.866 334 1HH1 ARG 47 1HH1 ARG 47 15.091 -6.859 8.667 335 2HH1 ARG 47 2HH1 ARG 47 13.504 -6.285 7.947 336 1HH2 ARG 47 1HH2 ARG 47 14.364 -5.667 11.809 337 2HH2 ARG 47 2HH2 ARG 47 15.441 -6.711 10.753 338 H MET 48 H MET 48 10.137 -1.666 5.938 339 HA MET 48 HA MET 48 12.946 -0.924 6.766 340 1HB MET 48 1HB MET 48 13.283 -0.575 4.245 341 2HB MET 48 2HB MET 48 11.626 -1.099 3.998 342 1HG MET 48 1HG MET 48 12.635 -3.160 3.689 343 2HG MET 48 2HG MET 48 12.489 -3.260 5.451 344 1HE MET 48 1HE MET 48 16.150 -4.399 3.643 345 2HE MET 48 2HE MET 48 14.904 -5.189 4.653 346 3HE MET 48 3HE MET 48 14.452 -4.475 3.077 347 H LEU 49 H LEU 49 10.257 0.693 7.217 348 HA LEU 49 HA LEU 49 11.329 3.417 6.301 349 1HB LEU 49 1HB LEU 49 8.910 4.163 7.009 350 2HB LEU 49 2HB LEU 49 8.501 2.462 6.995 351 HG LEU 49 HG LEU 49 9.353 2.391 4.526 352 1HD1 LEU 49 1HD1 LEU 49 7.169 3.218 3.638 353 2HD1 LEU 49 2HD1 LEU 49 6.925 2.287 5.127 354 3HD1 LEU 49 3HD1 LEU 49 6.834 4.065 5.169 355 1HD2 LEU 49 1HD2 LEU 49 9.106 5.463 4.802 356 2HD2 LEU 49 2HD2 LEU 49 10.600 4.556 4.458 357 3HD2 LEU 49 3HD2 LEU 49 9.287 4.568 3.272 358 H GLY 50 H GLY 50 10.189 1.420 8.980 359 1HA GLY 50 1HA GLY 50 11.826 2.056 11.097 360 2HA GLY 50 2HA GLY 50 10.873 3.543 11.055 361 H GLN 51 H GLN 51 10.190 0.049 10.784 362 HA GLN 51 HA GLN 51 8.144 0.209 13.056 363 1HB GLN 51 1HB GLN 51 7.267 0.256 10.424 364 2HB GLN 51 2HB GLN 51 7.324 -1.475 10.711 365 1HG GLN 51 1HG GLN 51 5.103 -0.878 11.270 366 2HG GLN 51 2HG GLN 51 5.880 -1.107 12.823 367 1HE2 GLN 51 1HE2 GLN 51 3.926 2.111 13.016 368 2HE2 GLN 51 2HE2 GLN 51 3.557 0.349 12.659 369 H ASN 52 H ASN 52 7.580 -1.957 13.825 370 HA ASN 52 HA ASN 52 9.891 -3.927 13.531 371 1HB ASN 52 1HB ASN 52 8.589 -2.854 16.073 372 2HB ASN 52 2HB ASN 52 9.436 -4.386 16.096 373 1HD2 ASN 52 1HD2 ASN 52 12.650 -2.728 16.147 374 2HD2 ASN 52 2HD2 ASN 52 11.739 -4.312 15.980 375 HA PRO 53 HA PRO 53 5.428 -6.080 13.494 376 1HB PRO 53 1HB PRO 53 4.945 -6.440 10.805 377 2HB PRO 53 2HB PRO 53 4.473 -4.992 11.708 378 1HG PRO 53 1HG PRO 53 6.934 -5.353 9.931 379 2HG PRO 53 2HG PRO 53 5.781 -3.999 9.940 380 1HD PRO 53 1HD PRO 53 8.219 -3.920 11.287 381 2HD PRO 53 2HD PRO 53 6.785 -3.030 11.883 382 H THR 54 H THR 54 5.177 -8.176 11.726 383 HA THR 54 HA THR 54 7.771 -9.749 11.752 384 HB THR 54 HB THR 54 7.205 -11.428 13.186 385 HG1 THR 54 HG1 THR 54 4.551 -11.011 13.568 386 1HG2 THR 54 1HG2 THR 54 6.185 -10.600 15.281 387 2HG2 THR 54 2HG2 THR 54 7.267 -9.358 14.609 388 3HG2 THR 54 3HG2 THR 54 5.501 -9.187 14.442 389 H LYS 55 H LYS 55 7.473 -11.867 10.651 390 HA LYS 55 HA LYS 55 6.101 -11.658 8.040 391 1HB LYS 55 1HB LYS 55 8.197 -13.054 8.523 392 2HB LYS 55 2HB LYS 55 6.974 -13.803 7.518 393 1HG LYS 55 1HG LYS 55 7.393 -14.369 10.515 394 2HG LYS 55 2HG LYS 55 6.161 -15.127 9.527 395 1HD LYS 55 1HD LYS 55 7.658 -16.611 8.529 396 2HD LYS 55 2HD LYS 55 8.921 -15.398 8.404 397 1HE LYS 55 1HE LYS 55 8.278 -16.457 11.187 398 2HE LYS 55 2HE LYS 55 9.182 -17.500 10.089 399 1HZ LYS 55 1HZ LYS 55 10.084 -14.711 10.401 400 2HZ LYS 55 2HZ LYS 55 10.385 -15.774 11.630 401 3HZ LYS 55 3HZ LYS 55 10.974 -16.073 10.115 402 H GLU 56 H GLU 56 5.371 -13.088 11.178 403 HA GLU 56 HA GLU 56 3.146 -14.816 10.476 404 1HB GLU 56 1HB GLU 56 3.772 -13.413 13.122 405 2HB GLU 56 2HB GLU 56 2.434 -14.527 12.927 406 1HG GLU 56 1HG GLU 56 5.239 -15.469 12.143 407 2HG GLU 56 2HG GLU 56 4.837 -15.332 13.846 408 H GLU 57 H GLU 57 3.173 -11.447 11.673 409 HA GLU 57 HA GLU 57 0.245 -11.011 11.482 410 1HB GLU 57 1HB GLU 57 0.842 -8.540 11.696 411 2HB GLU 57 2HB GLU 57 1.266 -9.594 13.033 412 1HG GLU 57 1HG GLU 57 3.691 -9.632 12.142 413 2HG GLU 57 2HG GLU 57 3.212 -8.443 10.939 414 H LEU 58 H LEU 58 3.026 -10.600 9.362 415 HA LEU 58 HA LEU 58 1.881 -9.036 7.203 416 1HB LEU 58 1HB LEU 58 4.359 -9.894 7.592 417 2HB LEU 58 2HB LEU 58 3.861 -11.309 6.690 418 HG LEU 58 HG LEU 58 4.279 -8.464 5.723 419 1HD1 LEU 58 1HD1 LEU 58 5.362 -9.650 3.787 420 2HD1 LEU 58 2HD1 LEU 58 6.064 -10.157 5.330 421 3HD1 LEU 58 3HD1 LEU 58 4.914 -11.226 4.489 422 1HD2 LEU 58 1HD2 LEU 58 2.358 -10.400 4.263 423 2HD2 LEU 58 2HD2 LEU 58 1.896 -8.869 5.048 424 3HD2 LEU 58 3HD2 LEU 58 2.963 -8.848 3.631 425 H ASP 59 H ASP 59 1.700 -12.460 8.015 426 HA ASP 59 HA ASP 59 0.467 -13.460 5.557 427 1HB ASP 59 1HB ASP 59 0.962 -14.584 8.283 428 2HB ASP 59 2HB ASP 59 1.266 -15.264 6.701 429 H ALA 60 H ALA 60 -0.833 -12.135 8.571 430 HA ALA 60 HA ALA 60 -3.671 -12.662 8.152 431 1HB ALA 60 1HB ALA 60 -4.065 -10.928 9.895 432 2HB ALA 60 2HB ALA 60 -2.765 -12.040 10.368 433 3HB ALA 60 3HB ALA 60 -2.368 -10.399 9.797 434 H ILE 61 H ILE 61 -1.823 -9.623 7.687 435 HA ILE 61 HA ILE 61 -3.735 -7.942 6.485 436 HB ILE 61 HB ILE 61 -0.746 -8.052 6.294 437 1HG1 ILE 61 1HG1 ILE 61 -2.516 -6.615 7.899 438 2HG1 ILE 61 2HG1 ILE 61 -2.232 -5.440 6.633 439 1HG2 ILE 61 1HG2 ILE 61 -0.602 -6.221 4.586 440 2HG2 ILE 61 2HG2 ILE 61 -1.310 -7.673 3.883 441 3HG2 ILE 61 3HG2 ILE 61 -2.361 -6.306 4.319 442 1HD1 ILE 61 1HD1 ILE 61 0.215 -5.425 7.026 443 2HD1 ILE 61 2HD1 ILE 61 -0.667 -5.115 8.537 444 3HD1 ILE 61 3HD1 ILE 61 0.049 -6.717 8.248 445 H ILE 62 H ILE 62 -1.876 -10.613 5.132 446 HA ILE 62 HA ILE 62 -2.402 -10.208 2.266 447 HB ILE 62 HB ILE 62 -1.167 -12.317 3.913 448 1HG1 ILE 62 1HG1 ILE 62 -0.070 -12.607 1.383 449 2HG1 ILE 62 2HG1 ILE 62 -0.692 -10.978 1.235 450 1HG2 ILE 62 1HG2 ILE 62 -1.533 -14.247 2.354 451 2HG2 ILE 62 2HG2 ILE 62 -3.060 -13.742 3.074 452 3HG2 ILE 62 3HG2 ILE 62 -2.685 -13.282 1.398 453 1HD1 ILE 62 1HD1 ILE 62 1.335 -11.862 3.371 454 2HD1 ILE 62 2HD1 ILE 62 1.626 -10.836 1.951 455 3HD1 ILE 62 3HD1 ILE 62 0.599 -10.238 3.275 456 H GLU 63 H GLU 63 -3.946 -12.288 4.732 457 HA GLU 63 HA GLU 63 -6.019 -13.498 3.186 458 1HB GLU 63 1HB GLU 63 -5.980 -14.454 5.251 459 2HB GLU 63 2HB GLU 63 -5.650 -12.956 6.097 460 1HG GLU 63 1HG GLU 63 -8.439 -13.268 4.916 461 2HG GLU 63 2HG GLU 63 -7.935 -12.418 6.367 462 H GLU 64 H GLU 64 -5.839 -10.277 4.597 463 HA GLU 64 HA GLU 64 -8.645 -9.480 4.240 464 1HB GLU 64 1HB GLU 64 -6.770 -8.418 5.752 465 2HB GLU 64 2HB GLU 64 -6.356 -7.470 4.338 466 1HG GLU 64 1HG GLU 64 -8.748 -6.567 4.272 467 2HG GLU 64 2HG GLU 64 -7.828 -6.114 5.697 468 H VAL 65 H VAL 65 -5.674 -8.886 2.356 469 HA VAL 65 HA VAL 65 -7.318 -7.885 -0.016 470 HB VAL 65 HB VAL 65 -4.301 -7.666 -0.005 471 1HG1 VAL 65 1HG1 VAL 65 -6.043 -5.596 1.482 472 2HG1 VAL 65 2HG1 VAL 65 -5.077 -6.839 2.300 473 3HG1 VAL 65 3HG1 VAL 65 -4.270 -5.601 1.308 474 1HG2 VAL 65 1HG2 VAL 65 -4.660 -5.675 -1.379 475 2HG2 VAL 65 2HG2 VAL 65 -5.745 -6.931 -2.023 476 3HG2 VAL 65 3HG2 VAL 65 -6.401 -5.638 -1.010 477 H ASP 66 H ASP 66 -7.259 -10.630 0.782 478 HA ASP 66 HA ASP 66 -6.523 -11.868 -1.856 479 1HB ASP 66 1HB ASP 66 -4.421 -11.957 -0.215 480 2HB ASP 66 2HB ASP 66 -5.293 -13.263 0.554 481 H GLU 67 H GLU 67 -8.899 -11.266 -0.423 482 HA GLU 67 HA GLU 67 -10.047 -13.768 0.778 483 1HB GLU 67 1HB GLU 67 -11.728 -12.499 1.542 484 2HB GLU 67 2HB GLU 67 -10.687 -11.149 1.138 485 1HG GLU 67 1HG GLU 67 -11.905 -11.045 -1.171 486 2HG GLU 67 2HG GLU 67 -13.039 -12.225 -0.535 487 H ASP 68 H ASP 68 -10.522 -11.846 -2.198 488 HA ASP 68 HA ASP 68 -10.890 -14.321 -3.873 489 1HB ASP 68 1HB ASP 68 -13.227 -12.347 -3.909 490 2HB ASP 68 2HB ASP 68 -13.205 -13.701 -2.803 491 H GLY 69 H GLY 69 -10.358 -13.969 -5.958 492 1HA GLY 69 1HA GLY 69 -9.393 -12.875 -7.894 493 2HA GLY 69 2HA GLY 69 -10.429 -11.500 -7.495 494 H SER 70 H SER 70 -8.894 -9.987 -7.974 495 HA SER 70 HA SER 70 -7.038 -8.484 -7.652 496 1HB SER 70 1HB SER 70 -6.948 -7.576 -5.534 497 2HB SER 70 2HB SER 70 -8.487 -8.435 -5.425 498 HG SER 70 HG SER 70 -7.671 -9.715 -4.019 499 H GLY 71 H GLY 71 -4.971 -8.620 -5.735 500 1HA GLY 71 1HA GLY 71 -3.173 -10.729 -6.990 501 2HA GLY 71 2HA GLY 71 -3.382 -10.848 -5.240 502 H THR 72 H THR 72 -3.353 -7.840 -7.083 503 HA THR 72 HA THR 72 -0.657 -7.092 -5.867 504 HB THR 72 HB THR 72 -0.572 -5.358 -7.818 505 HG1 THR 72 HG1 THR 72 -1.994 -7.258 -9.241 506 1HG2 THR 72 1HG2 THR 72 1.170 -6.902 -8.077 507 2HG2 THR 72 2HG2 THR 72 0.097 -8.319 -8.070 508 3HG2 THR 72 3HG2 THR 72 0.206 -7.286 -9.520 509 H ILE 73 H ILE 73 -0.403 -5.080 -4.960 510 HA ILE 73 HA ILE 73 -2.961 -3.612 -4.224 511 HB ILE 73 HB ILE 73 -1.759 -4.654 -2.330 512 1HG1 ILE 73 1HG1 ILE 73 -3.305 -2.913 -1.784 513 2HG1 ILE 73 2HG1 ILE 73 -2.238 -1.643 -2.355 514 1HG2 ILE 73 1HG2 ILE 73 0.331 -3.767 -1.364 515 2HG2 ILE 73 2HG2 ILE 73 0.649 -4.305 -3.019 516 3HG2 ILE 73 3HG2 ILE 73 0.491 -2.567 -2.667 517 1HD1 ILE 73 1HD1 ILE 73 -1.225 -3.277 0.007 518 2HD1 ILE 73 2HD1 ILE 73 -0.958 -1.569 -0.405 519 3HD1 ILE 73 3HD1 ILE 73 -2.521 -2.079 0.276 520 H ASP 74 H ASP 74 -2.979 -1.337 -4.208 521 HA ASP 74 HA ASP 74 -1.052 -0.043 -6.199 522 1HB ASP 74 1HB ASP 74 -2.997 1.790 -6.207 523 2HB ASP 74 2HB ASP 74 -3.039 0.372 -7.229 524 H PHE 75 H PHE 75 -0.998 2.454 -5.777 525 HA PHE 75 HA PHE 75 0.554 2.828 -3.288 526 1HB PHE 75 1HB PHE 75 1.129 3.975 -5.434 527 2HB PHE 75 2HB PHE 75 -0.352 4.894 -5.383 528 HD1 PHE 75 HD1 PHE 75 2.109 4.128 -2.574 529 HD2 PHE 75 HD2 PHE 75 0.280 7.162 -5.017 530 HE1 PHE 75 HE1 PHE 75 3.309 5.874 -1.323 531 HE2 PHE 75 HE2 PHE 75 1.498 8.893 -3.759 532 HZ PHE 75 HZ PHE 75 2.963 8.259 -1.876 533 H GLU 76 H GLU 76 -2.714 3.549 -4.375 534 HA GLU 76 HA GLU 76 -3.564 5.405 -2.293 535 1HB GLU 76 1HB GLU 76 -5.939 4.553 -2.865 536 2HB GLU 76 2HB GLU 76 -5.187 3.494 -4.042 537 1HG GLU 76 1HG GLU 76 -6.130 5.793 -4.865 538 2HG GLU 76 2HG GLU 76 -4.571 5.275 -5.483 539 H GLU 77 H GLU 77 -4.264 1.913 -2.619 540 HA GLU 77 HA GLU 77 -5.395 1.433 0.016 541 1HB GLU 77 1HB GLU 77 -4.013 -0.457 -1.939 542 2HB GLU 77 2HB GLU 77 -4.548 -1.015 -0.366 543 1HG GLU 77 1HG GLU 77 -6.420 0.292 -2.446 544 2HG GLU 77 2HG GLU 77 -6.173 -1.439 -2.298 545 H PHE 78 H PHE 78 -2.079 1.610 -1.150 546 HA PHE 78 HA PHE 78 -0.651 0.422 1.073 547 1HB PHE 78 1HB PHE 78 0.159 2.450 -1.056 548 2HB PHE 78 2HB PHE 78 0.599 0.768 -0.925 549 HD1 PHE 78 HD1 PHE 78 1.404 0.864 2.137 550 HD2 PHE 78 HD2 PHE 78 2.342 3.456 -1.167 551 HE1 PHE 78 HE1 PHE 78 3.530 1.485 3.213 552 HE2 PHE 78 HE2 PHE 78 4.460 4.067 -0.074 553 HZ PHE 78 HZ PHE 78 5.035 3.123 2.135 554 H LEU 79 H LEU 79 -1.724 3.759 0.469 555 HA LEU 79 HA LEU 79 -0.618 4.999 2.911 556 1HB LEU 79 1HB LEU 79 -2.390 6.821 2.430 557 2HB LEU 79 2HB LEU 79 -2.902 5.871 1.052 558 HG LEU 79 HG LEU 79 -0.558 6.063 0.067 559 1HD1 LEU 79 1HD1 LEU 79 -0.038 8.115 2.312 560 2HD1 LEU 79 2HD1 LEU 79 0.659 6.485 2.270 561 3HD1 LEU 79 3HD1 LEU 79 1.077 7.660 0.999 562 1HD2 LEU 79 1HD2 LEU 79 -0.832 8.359 -0.766 563 2HD2 LEU 79 2HD2 LEU 79 -2.464 7.683 -0.543 564 3HD2 LEU 79 3HD2 LEU 79 -1.815 8.821 0.647 565 H VAL 80 H VAL 80 -3.611 3.340 2.070 566 HA VAL 80 HA VAL 80 -5.233 4.058 4.392 567 HB VAL 80 HB VAL 80 -5.433 1.837 2.343 568 1HG1 VAL 80 1HG1 VAL 80 -7.509 3.971 3.140 569 2HG1 VAL 80 2HG1 VAL 80 -6.285 4.235 1.891 570 3HG1 VAL 80 3HG1 VAL 80 -7.494 2.948 1.680 571 1HG2 VAL 80 1HG2 VAL 80 -7.462 0.888 3.340 572 2HG2 VAL 80 2HG2 VAL 80 -6.180 0.781 4.569 573 3HG2 VAL 80 3HG2 VAL 80 -7.417 2.040 4.697 574 H MET 81 H MET 81 -2.827 1.563 3.765 575 HA MET 81 HA MET 81 -3.308 -0.141 6.113 576 1HB MET 81 1HB MET 81 -1.189 -1.248 5.600 577 2HB MET 81 2HB MET 81 -0.646 0.096 4.612 578 1HG MET 81 1HG MET 81 -1.495 -0.951 2.777 579 2HG MET 81 2HG MET 81 -3.130 -0.722 3.417 580 1HE MET 81 1HE MET 81 -0.041 -2.718 3.032 581 2HE MET 81 2HE MET 81 -0.073 -3.667 4.547 582 3HE MET 81 3HE MET 81 -0.609 -4.417 3.015 583 H MET 82 H MET 82 -0.866 2.375 5.416 584 HA MET 82 HA MET 82 0.594 2.265 7.922 585 1HB MET 82 1HB MET 82 1.541 4.467 7.359 586 2HB MET 82 2HB MET 82 0.265 4.782 6.197 587 1HG MET 82 1HG MET 82 1.113 2.765 4.815 588 2HG MET 82 2HG MET 82 2.482 2.660 5.933 589 1HE MET 82 1HE MET 82 4.344 5.350 6.142 590 2HE MET 82 2HE MET 82 4.416 3.598 5.790 591 3HE MET 82 3HE MET 82 5.017 4.772 4.585 592 H VAL 83 H VAL 83 -2.117 4.342 6.897 593 HA VAL 83 HA VAL 83 -2.417 5.851 9.391 594 HB VAL 83 HB VAL 83 -4.152 5.478 6.952 595 1HG1 VAL 83 1HG1 VAL 83 -3.287 8.065 8.388 596 2HG1 VAL 83 2HG1 VAL 83 -2.312 7.279 7.138 597 3HG1 VAL 83 3HG1 VAL 83 -3.931 7.895 6.734 598 1HG2 VAL 83 1HG2 VAL 83 -6.056 6.724 7.839 599 2HG2 VAL 83 2HG2 VAL 83 -5.797 5.354 8.944 600 3HG2 VAL 83 3HG2 VAL 83 -5.259 6.973 9.414 601 NH1 ARG 84 NH1 ARG 84 -8.893 -3.155 8.319 602 NH2 ARG 84 NH2 ARG 84 -9.025 -2.770 6.085 603 H ARG 84 H ARG 84 -3.648 2.760 8.234 604 HA ARG 84 HA ARG 84 -5.730 2.208 10.242 605 1HB ARG 84 1HB ARG 84 -4.694 -0.317 9.570 606 2HB ARG 84 2HB ARG 84 -4.257 0.653 8.170 607 1HG ARG 84 1HG ARG 84 -7.066 1.170 9.004 608 2HG ARG 84 2HG ARG 84 -6.405 0.829 7.404 609 1HD ARG 84 1HD ARG 84 -6.112 -1.679 8.427 610 2HD ARG 84 2HD ARG 84 -7.388 -1.144 9.518 611 HE ARG 84 HE ARG 84 -8.237 -0.472 6.813 612 1HH1 ARG 84 1HH1 ARG 84 -9.469 -3.694 6.032 613 2HH1 ARG 84 2HH1 ARG 84 -8.869 -2.118 5.308 614 1HH2 ARG 84 1HH2 ARG 84 -8.475 -2.893 9.219 615 2HH2 ARG 84 2HH2 ARG 84 -9.514 -3.952 8.139 616 H GLN 85 H GLN 85 -2.216 1.719 10.154 617 HA GLN 85 HA GLN 85 -2.053 0.002 12.584 618 1HB GLN 85 1HB GLN 85 -0.345 -0.051 10.718 619 2HB GLN 85 2HB GLN 85 0.181 1.561 11.169 620 1HG GLN 85 1HG GLN 85 1.751 -0.052 12.092 621 2HG GLN 85 2HG GLN 85 0.928 0.745 13.417 622 1HE2 GLN 85 1HE2 GLN 85 0.689 -3.320 13.056 623 2HE2 GLN 85 2HE2 GLN 85 1.710 -2.252 11.967 624 H MET 86 H MET 86 -1.019 3.349 11.863 625 HA MET 86 HA MET 86 -0.130 4.207 14.437 626 1HB MET 86 1HB MET 86 -1.046 5.613 11.975 627 2HB MET 86 2HB MET 86 -1.352 6.533 13.438 628 1HG MET 86 1HG MET 86 1.290 5.737 13.894 629 2HG MET 86 2HG MET 86 1.265 5.870 12.129 630 1HE MET 86 1HE MET 86 0.313 9.437 11.284 631 2HE MET 86 2HE MET 86 1.863 8.572 11.065 632 3HE MET 86 3HE MET 86 0.319 7.708 10.812 633 H LYS 87 H LYS 87 -3.396 3.937 13.148 634 HA LYS 87 HA LYS 87 -4.950 5.284 15.190 635 1HB LYS 87 1HB LYS 87 -5.725 4.129 12.920 636 2HB LYS 87 2HB LYS 87 -5.975 2.702 13.905 637 1HG LYS 87 1HG LYS 87 -7.748 4.905 13.493 638 2HG LYS 87 2HG LYS 87 -8.020 3.476 14.471 639 1HD LYS 87 1HD LYS 87 -6.662 4.864 16.359 640 2HD LYS 87 2HD LYS 87 -7.068 6.237 15.341 641 1HE LYS 87 1HE LYS 87 -9.384 6.109 15.757 642 2HE LYS 87 2HE LYS 87 -9.363 4.381 16.113 643 1HZ LYS 87 1HZ LYS 87 -9.541 5.249 18.204 644 2HZ LYS 87 2HZ LYS 87 -7.890 5.230 18.134 645 3HZ LYS 87 3HZ LYS 87 -8.713 6.639 17.869 646 H GLU 88 H GLU 88 -4.117 1.804 14.935 647 HA GLU 88 HA GLU 88 -5.161 0.836 17.444 648 1HB GLU 88 1HB GLU 88 -4.304 -0.642 15.636 649 2HB GLU 88 2HB GLU 88 -2.657 -0.153 15.980 650 1HG GLU 88 1HG GLU 88 -2.553 -1.389 18.018 651 2HG GLU 88 2HG GLU 88 -4.293 -1.369 18.256 652 H ASP 89 H ASP 89 -1.682 1.400 16.872 653 HA ASP 89 HA ASP 89 -1.352 3.164 19.278 654 1HB ASP 89 1HB ASP 89 -1.340 1.217 20.606 655 2HB ASP 89 2HB ASP 89 -0.525 0.245 19.403 656 H ALA 90 H ALA 90 1.025 0.898 17.993 657 HA ALA 90 HA ALA 90 2.900 1.141 16.488 658 1HB ALA 90 1HB ALA 90 1.709 3.855 15.638 659 2HB ALA 90 2HB ALA 90 2.813 2.814 14.719 660 3HB ALA 90 3HB ALA 90 1.125 2.309 14.974 Start of MODEL 29 Raw file had 660 H/Q atoms Start of MODEL 29 1 1H ALA 1 1H ALA 1 -20.940 9.091 4.593 2 2H ALA 1 2H ALA 1 -22.111 8.173 5.377 3 3H ALA 1 3H ALA 1 -21.886 9.786 5.797 4 HA ALA 1 HA ALA 1 -19.440 8.941 6.198 5 1HB ALA 1 1HB ALA 1 -19.872 9.314 8.482 6 2HB ALA 1 2HB ALA 1 -21.273 10.124 7.755 7 3HB ALA 1 3HB ALA 1 -21.454 8.498 8.463 8 H SER 2 H SER 2 -19.214 6.993 4.920 9 HA SER 2 HA SER 2 -20.080 4.397 6.312 10 1HB SER 2 1HB SER 2 -19.487 3.371 3.958 11 2HB SER 2 2HB SER 2 -21.036 4.182 4.207 12 HG SER 2 HG SER 2 -20.382 5.219 2.524 13 H MET 3 H MET 3 -17.469 5.775 4.284 14 HA MET 3 HA MET 3 -15.145 5.154 4.031 15 1HB MET 3 1HB MET 3 -14.943 6.824 5.757 16 2HB MET 3 2HB MET 3 -13.807 5.529 6.081 17 1HG MET 3 1HG MET 3 -15.732 4.626 7.753 18 2HG MET 3 2HG MET 3 -14.590 5.889 8.237 19 1HE MET 3 1HE MET 3 -16.838 8.408 9.631 20 2HE MET 3 2HE MET 3 -16.795 6.720 10.222 21 3HE MET 3 3HE MET 3 -15.300 7.489 9.612 22 H THR 4 H THR 4 -16.815 2.960 3.936 23 HA THR 4 HA THR 4 -16.257 0.639 5.533 24 HB THR 4 HB THR 4 -17.026 1.041 2.671 25 HG1 THR 4 HG1 THR 4 -18.352 0.699 4.597 26 1HG2 THR 4 1HG2 THR 4 -16.902 -1.346 2.062 27 2HG2 THR 4 2HG2 THR 4 -15.256 -0.728 2.324 28 3HG2 THR 4 3HG2 THR 4 -16.035 -1.750 3.559 29 H ASP 5 H ASP 5 -14.225 2.457 3.348 30 HA ASP 5 HA ASP 5 -11.720 1.227 4.396 31 1HB ASP 5 1HB ASP 5 -10.844 0.440 2.153 32 2HB ASP 5 2HB ASP 5 -12.059 -0.575 2.896 33 H GLN 6 H GLN 6 -11.926 3.541 4.917 34 HA GLN 6 HA GLN 6 -12.080 5.821 3.266 35 1HB GLN 6 1HB GLN 6 -10.019 6.598 5.003 36 2HB GLN 6 2HB GLN 6 -11.748 6.761 5.260 37 1HG GLN 6 1HG GLN 6 -10.545 5.741 7.212 38 2HG GLN 6 2HG GLN 6 -11.874 4.762 6.628 39 1HE2 GLN 6 1HE2 GLN 6 -9.637 1.970 6.585 40 2HE2 GLN 6 2HE2 GLN 6 -11.243 2.706 7.082 41 H GLN 7 H GLN 7 -11.255 5.624 1.262 42 HA GLN 7 HA GLN 7 -8.364 5.032 0.663 43 1HB GLN 7 1HB GLN 7 -9.232 6.060 -1.692 44 2HB GLN 7 2HB GLN 7 -9.461 4.389 -1.208 45 1HG GLN 7 1HG GLN 7 -11.771 4.649 -0.763 46 2HG GLN 7 2HG GLN 7 -11.654 6.373 -0.476 47 1HE2 GLN 7 1HE2 GLN 7 -12.882 6.915 -3.786 48 2HE2 GLN 7 2HE2 GLN 7 -12.778 7.421 -2.025 49 H ALA 8 H ALA 8 -10.548 7.868 0.464 50 HA ALA 8 HA ALA 8 -8.363 9.782 -0.231 51 1HB ALA 8 1HB ALA 8 -11.022 9.788 -0.773 52 2HB ALA 8 2HB ALA 8 -11.055 10.818 0.671 53 3HB ALA 8 3HB ALA 8 -10.060 11.285 -0.731 54 H GLU 9 H GLU 9 -10.359 9.020 2.612 55 HA GLU 9 HA GLU 9 -9.663 11.022 4.503 56 1HB GLU 9 1HB GLU 9 -10.966 8.539 4.651 57 2HB GLU 9 2HB GLU 9 -9.614 8.329 5.746 58 1HG GLU 9 1HG GLU 9 -11.202 10.902 6.061 59 2HG GLU 9 2HG GLU 9 -10.403 9.928 7.284 60 H ALA 10 H ALA 10 -7.755 8.295 3.344 61 HA ALA 10 HA ALA 10 -5.646 8.115 5.279 62 1HB ALA 10 1HB ALA 10 -4.263 7.092 3.480 63 2HB ALA 10 2HB ALA 10 -5.921 6.463 3.458 64 3HB ALA 10 3HB ALA 10 -5.406 7.656 2.238 65 NH1 ARG 11 NH1 ARG 11 -4.780 11.266 -4.334 66 NH2 ARG 11 NH2 ARG 11 -6.311 9.595 -4.188 67 H ARG 11 H ARG 11 -5.703 10.041 2.263 68 HA ARG 11 HA ARG 11 -3.139 11.444 2.640 69 1HB ARG 11 1HB ARG 11 -3.702 12.772 0.737 70 2HB ARG 11 2HB ARG 11 -5.431 12.621 1.013 71 1HG ARG 11 1HG ARG 11 -3.679 10.223 0.214 72 2HG ARG 11 2HG ARG 11 -5.440 10.248 0.323 73 1HD ARG 11 1HD ARG 11 -3.676 11.711 -1.731 74 2HD ARG 11 2HD ARG 11 -5.352 12.191 -1.476 75 HE ARG 11 HE ARG 11 -5.203 9.275 -1.932 76 1HH1 ARG 11 1HH1 ARG 11 -6.513 9.801 -5.172 77 2HH1 ARG 11 2HH1 ARG 11 -6.730 8.853 -3.616 78 1HH2 ARG 11 1HH2 ARG 11 -4.169 11.926 -3.839 79 2HH2 ARG 11 2HH2 ARG 11 -4.947 11.224 -5.346 80 H ALA 12 H ALA 12 -6.491 12.115 3.520 81 HA ALA 12 HA ALA 12 -6.311 14.940 4.241 82 1HB ALA 12 1HB ALA 12 -8.392 14.580 5.552 83 2HB ALA 12 2HB ALA 12 -8.494 13.805 3.959 84 3HB ALA 12 3HB ALA 12 -8.213 12.815 5.413 85 H PHE 13 H PHE 13 -5.492 11.971 5.953 86 HA PHE 13 HA PHE 13 -5.104 13.213 8.629 87 1HB PHE 13 1HB PHE 13 -5.764 10.782 8.227 88 2HB PHE 13 2HB PHE 13 -4.150 10.453 7.653 89 HD1 PHE 13 HD1 PHE 13 -4.588 8.719 9.702 90 HD2 PHE 13 HD2 PHE 13 -3.846 12.926 10.229 91 HE1 PHE 13 HE1 PHE 13 -3.949 8.325 12.046 92 HE2 PHE 13 HE2 PHE 13 -3.230 12.513 12.574 93 HZ PHE 13 HZ PHE 13 -3.264 10.216 13.483 94 H LEU 14 H LEU 14 -3.039 12.116 5.956 95 HA LEU 14 HA LEU 14 -0.472 12.943 7.298 96 1HB LEU 14 1HB LEU 14 -0.677 12.096 4.372 97 2HB LEU 14 2HB LEU 14 0.685 11.954 5.462 98 HG LEU 14 HG LEU 14 -1.909 10.308 5.718 99 1HD1 LEU 14 1HD1 LEU 14 0.784 9.881 7.161 100 2HD1 LEU 14 2HD1 LEU 14 -0.632 10.651 7.900 101 3HD1 LEU 14 3HD1 LEU 14 -0.715 8.945 7.393 102 1HD2 LEU 14 1HD2 LEU 14 -0.689 8.402 4.754 103 2HD2 LEU 14 2HD2 LEU 14 -0.520 9.766 3.622 104 3HD2 LEU 14 3HD2 LEU 14 0.829 9.332 4.681 105 H SER 15 H SER 15 1.065 14.226 5.810 106 HA SER 15 HA SER 15 -0.177 16.918 5.284 107 1HB SER 15 1HB SER 15 2.777 16.309 4.866 108 2HB SER 15 2HB SER 15 2.110 16.383 6.499 109 HG SER 15 HG SER 15 2.925 18.365 5.325 110 H GLU 16 H GLU 16 0.991 18.062 3.303 111 HA GLU 16 HA GLU 16 0.001 16.661 0.830 112 1HB GLU 16 1HB GLU 16 -0.358 19.182 1.499 113 2HB GLU 16 2HB GLU 16 1.249 19.441 0.850 114 1HG GLU 16 1HG GLU 16 -0.910 18.059 -0.849 115 2HG GLU 16 2HG GLU 16 0.575 18.814 -1.400 116 H GLU 17 H GLU 17 3.016 17.848 2.232 117 HA GLU 17 HA GLU 17 4.688 17.153 -0.182 118 1HB GLU 17 1HB GLU 17 5.368 18.444 2.498 119 2HB GLU 17 2HB GLU 17 6.625 17.894 1.408 120 1HG GLU 17 1HG GLU 17 4.445 19.882 0.511 121 2HG GLU 17 2HG GLU 17 5.922 19.476 -0.347 122 H MET 18 H MET 18 3.975 15.957 3.055 123 HA MET 18 HA MET 18 5.919 13.892 3.480 124 1HB MET 18 1HB MET 18 4.368 14.286 5.256 125 2HB MET 18 2HB MET 18 2.965 14.036 4.233 126 1HG MET 18 1HG MET 18 3.226 11.629 4.226 127 2HG MET 18 2HG MET 18 4.899 11.718 4.801 128 1HE MET 18 1HE MET 18 4.865 11.786 8.448 129 2HE MET 18 2HE MET 18 5.736 11.963 6.896 130 3HE MET 18 3HE MET 18 5.067 13.407 7.710 131 H ILE 19 H ILE 19 3.097 13.983 1.366 132 HA ILE 19 HA ILE 19 2.883 11.221 0.533 133 HB ILE 19 HB ILE 19 2.086 13.829 -0.755 134 1HG1 ILE 19 1HG1 ILE 19 -0.151 13.058 -0.513 135 2HG1 ILE 19 2HG1 ILE 19 0.296 11.365 -0.554 136 1HG2 ILE 19 1HG2 ILE 19 1.296 12.710 -2.852 137 2HG2 ILE 19 2HG2 ILE 19 3.047 12.574 -2.711 138 3HG2 ILE 19 3HG2 ILE 19 2.024 11.170 -2.332 139 1HD1 ILE 19 1HD1 ILE 19 0.733 13.208 1.869 140 2HD1 ILE 19 2HD1 ILE 19 -0.450 11.894 1.699 141 3HD1 ILE 19 3HD1 ILE 19 1.288 11.515 1.765 142 H ALA 20 H ALA 20 4.783 13.895 -0.903 143 HA ALA 20 HA ALA 20 6.047 12.584 -3.086 144 1HB ALA 20 1HB ALA 20 7.754 14.506 -1.484 145 2HB ALA 20 2HB ALA 20 7.455 14.431 -3.232 146 3HB ALA 20 3HB ALA 20 6.216 15.109 -2.145 147 H GLU 21 H GLU 21 6.850 12.462 0.351 148 HA GLU 21 HA GLU 21 9.502 11.193 0.115 149 1HB GLU 21 1HB GLU 21 8.791 10.546 2.675 150 2HB GLU 21 2HB GLU 21 7.642 11.837 2.390 151 1HG GLU 21 1HG GLU 21 9.558 12.871 3.415 152 2HG GLU 21 2HG GLU 21 10.702 11.994 2.413 153 H PHE 22 H PHE 22 6.210 10.011 0.726 154 HA PHE 22 HA PHE 22 6.806 7.183 1.219 155 1HB PHE 22 1HB PHE 22 4.274 8.629 0.290 156 2HB PHE 22 2HB PHE 22 4.318 6.886 0.336 157 HD1 PHE 22 HD1 PHE 22 5.107 5.814 2.704 158 HD2 PHE 22 HD2 PHE 22 3.628 9.829 2.237 159 HE1 PHE 22 HE1 PHE 22 4.741 5.972 5.130 160 HE2 PHE 22 HE2 PHE 22 3.269 9.967 4.668 161 HZ PHE 22 HZ PHE 22 3.793 8.032 6.113 162 H LYS 23 H LYS 23 6.347 9.133 -1.673 163 HA LYS 23 HA LYS 23 6.003 7.060 -3.690 164 1HB LYS 23 1HB LYS 23 7.078 8.876 -5.281 165 2HB LYS 23 2HB LYS 23 7.068 9.928 -3.882 166 1HG LYS 23 1HG LYS 23 4.625 8.621 -5.217 167 2HG LYS 23 2HG LYS 23 4.519 9.482 -3.694 168 1HD LYS 23 1HD LYS 23 5.834 11.358 -5.383 169 2HD LYS 23 2HD LYS 23 4.159 11.378 -4.856 170 1HE LYS 23 1HE LYS 23 4.925 9.751 -7.335 171 2HE LYS 23 2HE LYS 23 3.332 10.363 -6.885 172 1HZ LYS 23 1HZ LYS 23 5.416 12.380 -7.287 173 2HZ LYS 23 2HZ LYS 23 4.917 11.570 -8.637 174 3HZ LYS 23 3HZ LYS 23 3.824 12.408 -7.725 175 H ALA 24 H ALA 24 8.920 8.733 -2.488 176 HA ALA 24 HA ALA 24 10.931 7.641 -4.220 177 1HB ALA 24 1HB ALA 24 12.576 8.212 -2.444 178 2HB ALA 24 2HB ALA 24 11.386 9.510 -2.655 179 3HB ALA 24 3HB ALA 24 11.269 8.416 -1.253 180 H ALA 25 H ALA 25 9.515 6.312 -1.251 181 HA ALA 25 HA ALA 25 11.377 4.015 -0.982 182 1HB ALA 25 1HB ALA 25 9.866 3.281 0.854 183 2HB ALA 25 2HB ALA 25 10.274 5.001 1.006 184 3HB ALA 25 3HB ALA 25 8.667 4.518 0.405 185 H PHE 26 H PHE 26 8.104 4.506 -2.253 186 HA PHE 26 HA PHE 26 7.332 1.751 -2.745 187 1HB PHE 26 1HB PHE 26 6.423 4.127 -4.464 188 2HB PHE 26 2HB PHE 26 5.859 3.899 -2.830 189 HD1 PHE 26 HD1 PHE 26 3.922 2.521 -2.459 190 HD2 PHE 26 HD2 PHE 26 6.123 2.020 -6.121 191 HE1 PHE 26 HE1 PHE 26 2.147 1.059 -3.338 192 HE2 PHE 26 HE2 PHE 26 4.344 0.550 -6.978 193 HZ PHE 26 HZ PHE 26 2.376 0.035 -5.576 194 H ASP 27 H ASP 27 9.234 4.070 -4.597 195 HA ASP 27 HA ASP 27 9.363 2.633 -7.167 196 1HB ASP 27 1HB ASP 27 9.945 5.140 -6.710 197 2HB ASP 27 2HB ASP 27 11.514 4.574 -6.187 198 H MET 28 H MET 28 11.077 2.397 -4.131 199 HA MET 28 HA MET 28 13.490 0.991 -4.868 200 1HB MET 28 1HB MET 28 12.477 1.752 -2.441 201 2HB MET 28 2HB MET 28 12.136 0.034 -2.348 202 1HG MET 28 1HG MET 28 14.401 -0.577 -2.227 203 2HG MET 28 2HG MET 28 14.947 0.788 -3.215 204 1HE MET 28 1HE MET 28 16.922 0.719 -0.535 205 2HE MET 28 2HE MET 28 16.746 1.567 -2.100 206 3HE MET 28 3HE MET 28 16.789 2.505 -0.578 207 H PHE 29 H PHE 29 10.232 -0.278 -4.161 208 HA PHE 29 HA PHE 29 11.070 -3.070 -5.137 209 1HB PHE 29 1HB PHE 29 9.162 -3.999 -3.875 210 2HB PHE 29 2HB PHE 29 8.577 -2.410 -3.467 211 HD1 PHE 29 HD1 PHE 29 12.102 -2.148 -3.162 212 HD2 PHE 29 HD2 PHE 29 8.686 -3.813 -1.140 213 HE1 PHE 29 HE1 PHE 29 13.362 -2.198 -1.048 214 HE2 PHE 29 HE2 PHE 29 9.964 -3.853 0.962 215 HZ PHE 29 HZ PHE 29 12.296 -3.045 1.015 216 H ASP 30 H ASP 30 10.434 -0.780 -6.813 217 HA ASP 30 HA ASP 30 8.072 -1.896 -8.377 218 1HB ASP 30 1HB ASP 30 8.248 1.098 -7.715 219 2HB ASP 30 2HB ASP 30 7.211 -0.032 -6.874 220 H ALA 31 H ALA 31 9.165 -2.534 -10.096 221 HA ALA 31 HA ALA 31 11.583 -1.351 -11.259 222 1HB ALA 31 1HB ALA 31 11.160 -2.889 -13.183 223 2HB ALA 31 2HB ALA 31 10.977 -3.720 -11.626 224 3HB ALA 31 3HB ALA 31 9.533 -3.262 -12.566 225 H ASP 32 H ASP 32 8.147 -0.818 -11.725 226 HA ASP 32 HA ASP 32 8.405 0.790 -14.253 227 1HB ASP 32 1HB ASP 32 5.892 1.397 -13.681 228 2HB ASP 32 2HB ASP 32 6.010 0.123 -12.488 229 H GLY 33 H GLY 33 6.510 1.923 -11.511 230 1HA GLY 33 1HA GLY 33 8.165 3.685 -10.039 231 2HA GLY 33 2HA GLY 33 7.875 4.608 -11.515 232 H GLY 34 H GLY 34 6.214 2.926 -8.862 233 1HA GLY 34 1HA GLY 34 4.475 4.034 -7.437 234 2HA GLY 34 2HA GLY 34 4.131 5.137 -8.769 235 H GLY 35 H GLY 35 4.125 2.862 -10.723 236 1HA GLY 35 1HA GLY 35 2.556 1.285 -11.711 237 2HA GLY 35 2HA GLY 35 1.367 2.472 -11.171 238 H ASP 36 H ASP 36 3.314 -0.243 -9.950 239 HA ASP 36 HA ASP 36 1.537 -0.859 -7.635 240 1HB ASP 36 1HB ASP 36 0.966 -3.243 -8.692 241 2HB ASP 36 2HB ASP 36 -0.090 -1.861 -8.875 242 H ILE 37 H ILE 37 2.172 -3.009 -6.690 243 HA ILE 37 HA ILE 37 4.956 -4.033 -7.357 244 HB ILE 37 HB ILE 37 5.794 -3.769 -5.047 245 1HG1 ILE 37 1HG1 ILE 37 3.143 -2.333 -4.559 246 2HG1 ILE 37 2HG1 ILE 37 4.569 -1.690 -3.774 247 1HG2 ILE 37 1HG2 ILE 37 6.474 -1.374 -5.263 248 2HG2 ILE 37 2HG2 ILE 37 6.462 -2.150 -6.853 249 3HG2 ILE 37 3HG2 ILE 37 5.134 -1.057 -6.392 250 1HD1 ILE 37 1HD1 ILE 37 5.015 -3.805 -2.569 251 2HD1 ILE 37 2HD1 ILE 37 3.347 -3.262 -2.285 252 3HD1 ILE 37 3HD1 ILE 37 3.659 -4.602 -3.412 253 H SER 38 H SER 38 5.403 -5.995 -6.092 254 HA SER 38 HA SER 38 3.451 -8.063 -6.121 255 1HB SER 38 1HB SER 38 6.072 -8.076 -5.565 256 2HB SER 38 2HB SER 38 5.507 -8.135 -3.893 257 HG SER 38 HG SER 38 5.756 -10.125 -5.389 258 H THR 39 H THR 39 2.194 -9.051 -4.506 259 HA THR 39 HA THR 39 0.791 -7.145 -2.649 260 HB THR 39 HB THR 39 -0.634 -9.352 -2.206 261 HG1 THR 39 HG1 THR 39 0.065 -10.905 -3.326 262 1HG2 THR 39 1HG2 THR 39 -2.147 -8.803 -4.060 263 2HG2 THR 39 2HG2 THR 39 -1.522 -7.288 -3.370 264 3HG2 THR 39 3HG2 THR 39 -0.874 -7.901 -4.915 265 H LYS 40 H LYS 40 3.185 -9.652 -2.468 266 HA LYS 40 HA LYS 40 2.729 -10.299 0.439 267 1HB LYS 40 1HB LYS 40 4.553 -11.364 -1.754 268 2HB LYS 40 2HB LYS 40 5.049 -11.618 -0.093 269 1HG LYS 40 1HG LYS 40 3.308 -13.122 0.361 270 2HG LYS 40 2HG LYS 40 2.195 -12.382 -0.772 271 1HD LYS 40 1HD LYS 40 2.842 -13.757 -2.525 272 2HD LYS 40 2HD LYS 40 4.547 -13.597 -2.134 273 1HE LYS 40 1HE LYS 40 2.649 -15.434 -0.551 274 2HE LYS 40 2HE LYS 40 4.401 -15.336 -0.358 275 1HZ LYS 40 1HZ LYS 40 4.735 -16.504 -2.290 276 2HZ LYS 40 2HZ LYS 40 3.262 -17.136 -1.890 277 3HZ LYS 40 3HZ LYS 40 3.370 -15.957 -3.043 278 H GLU 41 H GLU 41 4.662 -8.133 -1.470 279 HA GLU 41 HA GLU 41 6.945 -7.901 0.465 280 1HB GLU 41 1HB GLU 41 7.694 -6.024 -1.133 281 2HB GLU 41 2HB GLU 41 6.305 -6.407 -2.132 282 1HG GLU 41 1HG GLU 41 7.207 -8.468 -2.872 283 2HG GLU 41 2HG GLU 41 8.148 -8.721 -1.411 284 H LEU 42 H LEU 42 3.899 -6.272 -0.039 285 HA LEU 42 HA LEU 42 4.212 -3.606 0.649 286 1HB LEU 42 1HB LEU 42 1.948 -4.553 2.212 287 2HB LEU 42 2HB LEU 42 1.976 -3.627 0.696 288 HG LEU 42 HG LEU 42 2.211 -6.680 0.730 289 1HD1 LEU 42 1HD1 LEU 42 1.147 -4.788 -1.471 290 2HD1 LEU 42 2HD1 LEU 42 2.812 -5.384 -1.410 291 3HD1 LEU 42 3HD1 LEU 42 1.469 -6.534 -1.626 292 1HD2 LEU 42 1HD2 LEU 42 -0.244 -6.876 0.432 293 2HD2 LEU 42 2HD2 LEU 42 0.074 -5.985 1.942 294 3HD2 LEU 42 3HD2 LEU 42 -0.436 -5.105 0.490 295 H GLY 43 H GLY 43 4.522 -6.351 2.834 296 1HA GLY 43 1HA GLY 43 4.987 -6.506 5.235 297 2HA GLY 43 2HA GLY 43 4.395 -4.848 5.375 298 H THR 44 H THR 44 7.146 -6.365 3.628 299 HA THR 44 HA THR 44 9.330 -5.388 5.118 300 HB THR 44 HB THR 44 9.185 -5.849 2.108 301 HG1 THR 44 HG1 THR 44 9.264 -7.399 4.198 302 1HG2 THR 44 1HG2 THR 44 11.683 -5.956 2.095 303 2HG2 THR 44 2HG2 THR 44 11.113 -4.314 2.460 304 3HG2 THR 44 3HG2 THR 44 11.732 -5.351 3.770 305 H VAL 45 H VAL 45 7.317 -3.764 2.721 306 HA VAL 45 HA VAL 45 8.999 -1.323 2.405 307 HB VAL 45 HB VAL 45 7.219 -2.394 0.735 308 1HG1 VAL 45 1HG1 VAL 45 5.068 -1.134 0.636 309 2HG1 VAL 45 2HG1 VAL 45 5.177 -2.046 2.146 310 3HG1 VAL 45 3HG1 VAL 45 5.460 -0.290 2.157 311 1HG2 VAL 45 1HG2 VAL 45 7.618 0.665 0.926 312 2HG2 VAL 45 2HG2 VAL 45 8.710 -0.476 0.108 313 3HG2 VAL 45 3HG2 VAL 45 7.072 -0.232 -0.515 314 H MET 46 H MET 46 6.293 -2.405 4.384 315 HA MET 46 HA MET 46 5.588 0.295 5.460 316 1HB MET 46 1HB MET 46 4.452 -1.801 7.115 317 2HB MET 46 2HB MET 46 4.371 -2.353 5.452 318 1HG MET 46 1HG MET 46 3.486 0.440 5.502 319 2HG MET 46 2HG MET 46 2.585 -1.011 5.034 320 1HE MET 46 1HE MET 46 2.649 -2.293 8.909 321 2HE MET 46 2HE MET 46 1.187 -2.584 7.920 322 3HE MET 46 3HE MET 46 2.808 -2.828 7.206 323 NH1 ARG 47 NH1 ARG 47 10.326 -7.605 8.068 324 NH2 ARG 47 NH2 ARG 47 11.251 -7.469 10.139 325 H ARG 47 H ARG 47 7.900 -2.154 6.228 326 HA ARG 47 HA ARG 47 8.077 -1.479 9.188 327 1HB ARG 47 1HB ARG 47 9.395 -3.657 7.465 328 2HB ARG 47 2HB ARG 47 9.882 -3.336 9.123 329 1HG ARG 47 1HG ARG 47 7.637 -3.871 9.998 330 2HG ARG 47 2HG ARG 47 6.978 -4.024 8.367 331 1HD ARG 47 1HD ARG 47 7.538 -6.257 9.516 332 2HD ARG 47 2HD ARG 47 8.222 -6.057 7.904 333 HE ARG 47 HE ARG 47 10.093 -5.202 10.086 334 1HH1 ARG 47 1HH1 ARG 47 11.854 -8.241 9.834 335 2HH1 ARG 47 2HH1 ARG 47 11.233 -7.032 11.067 336 1HH2 ARG 47 1HH2 ARG 47 9.595 -7.284 7.424 337 2HH2 ARG 47 2HH2 ARG 47 11.009 -8.353 7.899 338 H MET 48 H MET 48 10.280 -1.738 6.380 339 HA MET 48 HA MET 48 12.645 -0.719 7.736 340 1HB MET 48 1HB MET 48 12.284 -1.875 5.269 341 2HB MET 48 2HB MET 48 12.450 -0.206 4.755 342 1HG MET 48 1HG MET 48 14.720 -0.071 5.364 343 2HG MET 48 2HG MET 48 14.562 -1.244 6.681 344 1HE MET 48 1HE MET 48 16.984 -2.290 3.480 345 2HE MET 48 2HE MET 48 16.759 -0.913 4.598 346 3HE MET 48 3HE MET 48 17.125 -2.537 5.249 347 H LEU 49 H LEU 49 9.887 0.931 6.583 348 HA LEU 49 HA LEU 49 11.214 3.675 6.817 349 1HB LEU 49 1HB LEU 49 9.850 3.354 4.794 350 2HB LEU 49 2HB LEU 49 9.181 4.596 5.832 351 HG LEU 49 HG LEU 49 8.072 1.729 5.824 352 1HD1 LEU 49 1HD1 LEU 49 6.993 4.099 4.165 353 2HD1 LEU 49 2HD1 LEU 49 7.940 2.761 3.490 354 3HD1 LEU 49 3HD1 LEU 49 6.341 2.441 4.208 355 1HD2 LEU 49 1HD2 LEU 49 6.070 2.700 6.874 356 2HD2 LEU 49 2HD2 LEU 49 7.481 3.252 7.809 357 3HD2 LEU 49 3HD2 LEU 49 6.694 4.356 6.673 358 H GLY 50 H GLY 50 8.780 1.509 8.172 359 1HA GLY 50 1HA GLY 50 7.866 3.505 10.255 360 2HA GLY 50 2HA GLY 50 7.138 1.933 9.944 361 H GLN 51 H GLN 51 8.480 0.006 10.552 362 HA GLN 51 HA GLN 51 10.331 0.248 12.916 363 1HB GLN 51 1HB GLN 51 7.831 -1.194 13.727 364 2HB GLN 51 2HB GLN 51 8.951 -0.226 14.670 365 1HG GLN 51 1HG GLN 51 6.810 0.899 14.687 366 2HG GLN 51 2HG GLN 51 7.926 1.894 13.774 367 1HE2 GLN 51 1HE2 GLN 51 5.085 2.030 11.505 368 2HE2 GLN 51 2HE2 GLN 51 5.753 2.772 13.045 369 H ASN 52 H ASN 52 9.444 -2.327 13.971 370 HA ASN 52 HA ASN 52 9.595 -4.266 11.660 371 1HB ASN 52 1HB ASN 52 11.677 -5.051 12.004 372 2HB ASN 52 2HB ASN 52 11.492 -5.147 13.742 373 1HD2 ASN 52 1HD2 ASN 52 13.449 -1.966 11.960 374 2HD2 ASN 52 2HD2 ASN 52 12.671 -3.333 11.014 375 HA PRO 53 HA PRO 53 6.811 -5.617 15.263 376 1HB PRO 53 1HB PRO 53 4.549 -6.371 13.903 377 2HB PRO 53 2HB PRO 53 5.021 -4.682 14.165 378 1HG PRO 53 1HG PRO 53 4.839 -4.626 11.828 379 2HG PRO 53 2HG PRO 53 5.358 -6.310 11.590 380 1HD PRO 53 1HD PRO 53 7.010 -3.800 11.921 381 2HD PRO 53 2HD PRO 53 7.485 -5.365 11.192 382 H THR 54 H THR 54 5.699 -7.781 12.736 383 HA THR 54 HA THR 54 7.579 -10.031 13.508 384 HB THR 54 HB THR 54 4.685 -10.830 13.547 385 HG1 THR 54 HG1 THR 54 5.914 -9.793 15.852 386 1HG2 THR 54 1HG2 THR 54 5.434 -12.415 15.291 387 2HG2 THR 54 2HG2 THR 54 6.481 -12.559 13.860 388 3HG2 THR 54 3HG2 THR 54 7.063 -11.697 15.307 389 H LYS 55 H LYS 55 7.179 -11.961 12.117 390 HA LYS 55 HA LYS 55 6.938 -11.075 9.235 391 1HB LYS 55 1HB LYS 55 8.095 -13.528 10.625 392 2HB LYS 55 2HB LYS 55 7.637 -13.666 8.941 393 1HG LYS 55 1HG LYS 55 9.935 -12.222 10.206 394 2HG LYS 55 2HG LYS 55 9.159 -11.299 8.935 395 1HD LYS 55 1HD LYS 55 9.413 -13.603 7.523 396 2HD LYS 55 2HD LYS 55 10.695 -12.408 7.639 397 1HE LYS 55 1HE LYS 55 10.507 -14.939 9.386 398 2HE LYS 55 2HE LYS 55 11.582 -14.731 8.003 399 1HZ LYS 55 1HZ LYS 55 13.009 -14.023 9.575 400 2HZ LYS 55 2HZ LYS 55 12.200 -12.583 9.539 401 3HZ LYS 55 3HZ LYS 55 11.839 -13.705 10.696 402 H GLU 56 H GLU 56 5.362 -13.147 11.613 403 HA GLU 56 HA GLU 56 3.488 -14.544 9.777 404 1HB GLU 56 1HB GLU 56 3.942 -14.453 12.718 405 2HB GLU 56 2HB GLU 56 2.254 -14.623 12.280 406 1HG GLU 56 1HG GLU 56 3.117 -16.859 12.570 407 2HG GLU 56 2HG GLU 56 2.870 -16.656 10.844 408 H GLU 57 H GLU 57 3.516 -11.566 11.652 409 HA GLU 57 HA GLU 57 0.725 -10.737 11.317 410 1HB GLU 57 1HB GLU 57 1.554 -8.386 11.735 411 2HB GLU 57 2HB GLU 57 3.204 -8.976 11.690 412 1HG GLU 57 1HG GLU 57 2.857 -10.349 13.720 413 2HG GLU 57 2HG GLU 57 1.127 -10.051 13.699 414 H LEU 58 H LEU 58 3.601 -10.503 9.296 415 HA LEU 58 HA LEU 58 2.670 -8.703 7.210 416 1HB LEU 58 1HB LEU 58 5.058 -9.760 7.624 417 2HB LEU 58 2HB LEU 58 4.495 -11.091 6.637 418 HG LEU 58 HG LEU 58 5.378 -8.363 5.829 419 1HD1 LEU 58 1HD1 LEU 58 5.954 -9.564 3.695 420 2HD1 LEU 58 2HD1 LEU 58 6.588 -10.418 5.108 421 3HD1 LEU 58 3HD1 LEU 58 5.132 -11.030 4.287 422 1HD2 LEU 58 1HD2 LEU 58 2.900 -9.523 4.387 423 2HD2 LEU 58 2HD2 LEU 58 2.938 -8.027 5.353 424 3HD2 LEU 58 3HD2 LEU 58 3.870 -8.129 3.848 425 H ASP 59 H ASP 59 2.187 -12.143 7.794 426 HA ASP 59 HA ASP 59 0.939 -12.754 5.165 427 1HB ASP 59 1HB ASP 59 2.160 -14.366 6.996 428 2HB ASP 59 2HB ASP 59 1.117 -14.931 5.711 429 H ALA 60 H ALA 60 -0.166 -11.841 8.374 430 HA ALA 60 HA ALA 60 -2.975 -12.586 8.214 431 1HB ALA 60 1HB ALA 60 -3.319 -11.005 10.107 432 2HB ALA 60 2HB ALA 60 -1.881 -12.013 10.359 433 3HB ALA 60 3HB ALA 60 -1.698 -10.311 9.864 434 H ILE 61 H ILE 61 -1.440 -9.382 7.720 435 HA ILE 61 HA ILE 61 -3.654 -7.861 6.821 436 HB ILE 61 HB ILE 61 -0.745 -7.557 5.933 437 1HG1 ILE 61 1HG1 ILE 61 -2.372 -6.172 8.163 438 2HG1 ILE 61 2HG1 ILE 61 -0.983 -7.218 8.369 439 1HG2 ILE 61 1HG2 ILE 61 -1.335 -5.238 5.179 440 2HG2 ILE 61 2HG2 ILE 61 -2.232 -6.440 4.254 441 3HG2 ILE 61 3HG2 ILE 61 -3.052 -5.536 5.547 442 1HD1 ILE 61 1HD1 ILE 61 -0.856 -4.411 7.120 443 2HD1 ILE 61 2HD1 ILE 61 -0.258 -4.923 8.713 444 3HD1 ILE 61 3HD1 ILE 61 0.523 -5.539 7.238 445 H ILE 62 H ILE 62 -1.582 -10.153 5.115 446 HA ILE 62 HA ILE 62 -2.442 -9.574 2.347 447 HB ILE 62 HB ILE 62 -0.954 -11.915 3.601 448 1HG1 ILE 62 1HG1 ILE 62 -0.101 -9.858 1.454 449 2HG1 ILE 62 2HG1 ILE 62 0.312 -9.760 3.152 450 1HG2 ILE 62 1HG2 ILE 62 -0.695 -12.973 1.342 451 2HG2 ILE 62 2HG2 ILE 62 -2.393 -12.937 1.811 452 3HG2 ILE 62 3HG2 ILE 62 -1.784 -11.760 0.626 453 1HD1 ILE 62 1HD1 ILE 62 1.295 -11.980 1.265 454 2HD1 ILE 62 2HD1 ILE 62 2.236 -10.644 1.960 455 3HD1 ILE 62 3HD1 ILE 62 1.606 -11.924 3.022 456 H GLU 63 H GLU 63 -3.516 -11.770 4.900 457 HA GLU 63 HA GLU 63 -5.351 -13.422 3.356 458 1HB GLU 63 1HB GLU 63 -5.645 -12.776 6.334 459 2HB GLU 63 2HB GLU 63 -4.459 -13.899 5.701 460 1HG GLU 63 1HG GLU 63 -7.027 -14.577 6.549 461 2HG GLU 63 2HG GLU 63 -7.298 -14.444 4.820 462 H GLU 64 H GLU 64 -5.734 -10.301 4.960 463 HA GLU 64 HA GLU 64 -8.695 -10.180 4.739 464 1HB GLU 64 1HB GLU 64 -6.952 -8.924 6.383 465 2HB GLU 64 2HB GLU 64 -7.094 -7.656 5.182 466 1HG GLU 64 1HG GLU 64 -9.714 -8.819 6.180 467 2HG GLU 64 2HG GLU 64 -9.326 -7.168 5.727 468 H VAL 65 H VAL 65 -5.965 -8.652 3.031 469 HA VAL 65 HA VAL 65 -7.564 -6.929 1.260 470 HB VAL 65 HB VAL 65 -5.082 -6.638 1.899 471 1HG1 VAL 65 1HG1 VAL 65 -5.749 -6.190 -1.081 472 2HG1 VAL 65 2HG1 VAL 65 -6.400 -5.194 0.234 473 3HG1 VAL 65 3HG1 VAL 65 -4.645 -5.236 -0.060 474 1HG2 VAL 65 1HG2 VAL 65 -3.327 -7.553 0.462 475 2HG2 VAL 65 2HG2 VAL 65 -4.287 -8.941 1.028 476 3HG2 VAL 65 3HG2 VAL 65 -4.509 -8.332 -0.618 477 H ASP 66 H ASP 66 -6.377 -10.241 1.108 478 HA ASP 66 HA ASP 66 -7.432 -10.591 -1.746 479 1HB ASP 66 1HB ASP 66 -5.328 -12.301 -0.302 480 2HB ASP 66 2HB ASP 66 -4.980 -11.034 -1.456 481 H GLU 67 H GLU 67 -9.430 -10.510 -0.197 482 HA GLU 67 HA GLU 67 -10.262 -13.083 1.078 483 1HB GLU 67 1HB GLU 67 -11.649 -10.458 0.495 484 2HB GLU 67 2HB GLU 67 -12.649 -11.875 0.744 485 1HG GLU 67 1HG GLU 67 -11.214 -12.197 2.986 486 2HG GLU 67 2HG GLU 67 -10.751 -10.522 2.733 487 H ASP 68 H ASP 68 -10.542 -11.498 -2.054 488 HA ASP 68 HA ASP 68 -12.035 -13.890 -3.228 489 1HB ASP 68 1HB ASP 68 -11.803 -11.007 -4.244 490 2HB ASP 68 2HB ASP 68 -12.390 -12.311 -5.250 491 H GLY 69 H GLY 69 -10.104 -11.612 -5.079 492 1HA GLY 69 1HA GLY 69 -8.881 -13.501 -6.862 493 2HA GLY 69 2HA GLY 69 -7.758 -13.411 -5.501 494 H SER 70 H SER 70 -6.469 -11.688 -5.238 495 HA SER 70 HA SER 70 -6.041 -9.828 -7.543 496 1HB SER 70 1HB SER 70 -7.954 -8.782 -6.123 497 2HB SER 70 2HB SER 70 -6.721 -8.430 -4.910 498 HG SER 70 HG SER 70 -7.200 -6.846 -6.643 499 H GLY 71 H GLY 71 -3.983 -10.610 -7.623 500 1HA GLY 71 1HA GLY 71 -2.132 -10.521 -5.204 501 2HA GLY 71 2HA GLY 71 -1.749 -11.254 -6.766 502 H THR 72 H THR 72 -3.096 -8.031 -6.163 503 HA THR 72 HA THR 72 -0.518 -6.689 -7.020 504 HB THR 72 HB THR 72 -1.956 -5.109 -8.525 505 HG1 THR 72 HG1 THR 72 -3.704 -6.027 -9.402 506 1HG2 THR 72 1HG2 THR 72 -1.083 -6.079 -10.406 507 2HG2 THR 72 2HG2 THR 72 -0.254 -7.174 -9.277 508 3HG2 THR 72 3HG2 THR 72 -1.774 -7.680 -10.060 509 H ILE 73 H ILE 73 -0.352 -4.522 -6.373 510 HA ILE 73 HA ILE 73 -2.516 -3.347 -4.637 511 HB ILE 73 HB ILE 73 -0.590 -4.799 -3.365 512 1HG1 ILE 73 1HG1 ILE 73 -1.331 -3.564 -1.249 513 2HG1 ILE 73 2HG1 ILE 73 -2.159 -2.403 -2.270 514 1HG2 ILE 73 1HG2 ILE 73 1.026 -3.374 -2.164 515 2HG2 ILE 73 2HG2 ILE 73 1.292 -3.198 -3.904 516 3HG2 ILE 73 3HG2 ILE 73 0.450 -1.915 -3.002 517 1HD1 ILE 73 1HD1 ILE 73 -3.935 -3.823 -2.757 518 2HD1 ILE 73 2HD1 ILE 73 -2.907 -5.271 -2.815 519 3HD1 ILE 73 3HD1 ILE 73 -3.414 -4.611 -1.242 520 H ASP 74 H ASP 74 -2.027 -1.071 -4.050 521 HA ASP 74 HA ASP 74 -0.320 0.368 -6.130 522 1HB ASP 74 1HB ASP 74 -2.460 2.015 -6.265 523 2HB ASP 74 2HB ASP 74 -2.166 0.708 -7.388 524 H PHE 75 H PHE 75 -0.686 2.879 -5.638 525 HA PHE 75 HA PHE 75 0.660 3.269 -3.022 526 1HB PHE 75 1HB PHE 75 -0.291 5.523 -4.871 527 2HB PHE 75 2HB PHE 75 1.079 4.530 -5.293 528 HD1 PHE 75 HD1 PHE 75 -0.159 6.381 -2.187 529 HD2 PHE 75 HD2 PHE 75 3.205 5.404 -4.686 530 HE1 PHE 75 HE1 PHE 75 1.230 8.009 -0.972 531 HE2 PHE 75 HE2 PHE 75 4.582 7.029 -3.448 532 HZ PHE 75 HZ PHE 75 3.603 8.323 -1.586 533 H GLU 76 H GLU 76 -2.536 3.840 -4.386 534 HA GLU 76 HA GLU 76 -3.646 5.609 -2.343 535 1HB GLU 76 1HB GLU 76 -4.843 5.614 -4.348 536 2HB GLU 76 2HB GLU 76 -5.915 4.831 -3.204 537 1HG GLU 76 1HG GLU 76 -5.772 2.721 -4.273 538 2HG GLU 76 2HG GLU 76 -4.165 3.018 -4.916 539 H GLU 77 H GLU 77 -4.358 2.148 -2.889 540 HA GLU 77 HA GLU 77 -5.491 1.482 -0.304 541 1HB GLU 77 1HB GLU 77 -3.860 -0.431 -2.054 542 2HB GLU 77 2HB GLU 77 -5.527 0.007 -2.368 543 1HG GLU 77 1HG GLU 77 -4.906 -2.238 -1.037 544 2HG GLU 77 2HG GLU 77 -4.787 -1.180 0.359 545 H PHE 78 H PHE 78 -2.166 1.833 -1.391 546 HA PHE 78 HA PHE 78 -0.758 0.481 0.760 547 1HB PHE 78 1HB PHE 78 0.024 2.533 -1.322 548 2HB PHE 78 2HB PHE 78 0.612 0.909 -1.084 549 HD1 PHE 78 HD1 PHE 78 2.153 0.514 1.076 550 HD2 PHE 78 HD2 PHE 78 1.227 4.430 -0.446 551 HE1 PHE 78 HE1 PHE 78 4.219 1.403 2.075 552 HE2 PHE 78 HE2 PHE 78 3.292 5.303 0.568 553 HZ PHE 78 HZ PHE 78 4.766 3.805 1.867 554 H LEU 79 H LEU 79 -2.008 3.772 0.419 555 HA LEU 79 HA LEU 79 -0.859 4.852 2.967 556 1HB LEU 79 1HB LEU 79 -3.067 5.947 1.126 557 2HB LEU 79 2HB LEU 79 -2.489 6.774 2.556 558 HG LEU 79 HG LEU 79 -0.932 6.207 -0.030 559 1HD1 LEU 79 1HD1 LEU 79 -0.701 8.695 -0.113 560 2HD1 LEU 79 2HD1 LEU 79 -2.411 8.229 -0.051 561 3HD1 LEU 79 3HD1 LEU 79 -1.611 8.857 1.411 562 1HD2 LEU 79 1HD2 LEU 79 0.252 7.322 2.602 563 2HD2 LEU 79 2HD2 LEU 79 0.673 5.771 1.834 564 3HD2 LEU 79 3HD2 LEU 79 1.079 7.292 1.024 565 H VAL 80 H VAL 80 -3.843 3.352 1.838 566 HA VAL 80 HA VAL 80 -5.584 3.835 4.106 567 HB VAL 80 HB VAL 80 -5.584 1.566 2.067 568 1HG1 VAL 80 1HG1 VAL 80 -7.841 0.878 2.901 569 2HG1 VAL 80 2HG1 VAL 80 -6.607 0.613 4.140 570 3HG1 VAL 80 3HG1 VAL 80 -7.700 2.009 4.272 571 1HG2 VAL 80 1HG2 VAL 80 -7.547 3.921 2.449 572 2HG2 VAL 80 2HG2 VAL 80 -6.298 3.822 1.187 573 3HG2 VAL 80 3HG2 VAL 80 -7.637 2.665 1.190 574 H MET 81 H MET 81 -3.065 1.444 3.493 575 HA MET 81 HA MET 81 -3.613 -0.297 5.838 576 1HB MET 81 1HB MET 81 -0.995 -0.166 4.236 577 2HB MET 81 2HB MET 81 -1.532 -1.461 5.290 578 1HG MET 81 1HG MET 81 -3.381 -0.787 2.976 579 2HG MET 81 2HG MET 81 -1.829 -1.544 2.581 580 1HE MET 81 1HE MET 81 -5.587 -3.484 3.800 581 2HE MET 81 2HE MET 81 -5.176 -1.954 2.970 582 3HE MET 81 3HE MET 81 -4.834 -3.518 2.174 583 H MET 82 H MET 82 -1.538 2.458 5.111 584 HA MET 82 HA MET 82 0.297 2.357 7.365 585 1HB MET 82 1HB MET 82 -0.589 4.591 5.502 586 2HB MET 82 2HB MET 82 0.289 5.019 6.959 587 1HG MET 82 1HG MET 82 1.506 4.393 4.565 588 2HG MET 82 2HG MET 82 1.548 2.801 5.339 589 1HE MET 82 1HE MET 82 3.116 1.994 6.529 590 2HE MET 82 2HE MET 82 4.618 2.844 6.060 591 3HE MET 82 3HE MET 82 4.148 2.753 7.783 592 H VAL 83 H VAL 83 -2.421 4.651 6.972 593 HA VAL 83 HA VAL 83 -2.695 5.567 9.656 594 HB VAL 83 HB VAL 83 -4.958 5.191 7.630 595 1HG1 VAL 83 1HG1 VAL 83 -3.426 7.781 8.296 596 2HG1 VAL 83 2HG1 VAL 83 -3.014 6.737 6.928 597 3HG1 VAL 83 3HG1 VAL 83 -4.612 7.517 6.992 598 1HG2 VAL 83 1HG2 VAL 83 -6.322 6.771 8.896 599 2HG2 VAL 83 2HG2 VAL 83 -5.820 5.510 10.046 600 3HG2 VAL 83 3HG2 VAL 83 -5.013 7.085 10.065 601 NH1 ARG 84 NH1 ARG 84 -9.555 -1.096 7.010 602 NH2 ARG 84 NH2 ARG 84 -8.485 -0.988 5.008 603 H ARG 84 H ARG 84 -3.815 2.579 8.162 604 HA ARG 84 HA ARG 84 -5.593 1.454 10.126 605 1HB ARG 84 1HB ARG 84 -3.581 -0.436 8.881 606 2HB ARG 84 2HB ARG 84 -4.553 0.528 7.777 607 1HG ARG 84 1HG ARG 84 -5.449 -1.832 8.502 608 2HG ARG 84 2HG ARG 84 -5.900 -1.066 10.026 609 1HD ARG 84 1HD ARG 84 -7.887 -0.593 8.953 610 2HD ARG 84 2HD ARG 84 -7.004 0.776 8.280 611 HE ARG 84 HE ARG 84 -6.438 -1.227 6.396 612 1HH1 ARG 84 1HH1 ARG 84 -10.421 -1.113 6.459 613 2HH1 ARG 84 2HH1 ARG 84 -9.475 -1.164 8.030 614 1HH2 ARG 84 1HH2 ARG 84 -7.594 -0.926 4.504 615 2HH2 ARG 84 2HH2 ARG 84 -9.421 -1.064 4.595 616 H GLN 85 H GLN 85 -2.040 0.998 9.904 617 HA GLN 85 HA GLN 85 -1.782 -0.555 12.390 618 1HB GLN 85 1HB GLN 85 -0.094 0.018 10.223 619 2HB GLN 85 2HB GLN 85 0.662 0.917 11.527 620 1HG GLN 85 1HG GLN 85 0.757 -1.175 12.940 621 2HG GLN 85 2HG GLN 85 1.709 -1.260 11.472 622 1HE2 GLN 85 1HE2 GLN 85 -1.366 -3.924 12.062 623 2HE2 GLN 85 2HE2 GLN 85 -1.105 -2.486 13.171 624 H MET 86 H MET 86 -0.775 2.782 11.593 625 HA MET 86 HA MET 86 0.270 3.688 14.064 626 1HB MET 86 1HB MET 86 -1.471 5.587 12.420 627 2HB MET 86 2HB MET 86 0.012 4.937 11.743 628 1HG MET 86 1HG MET 86 1.157 6.624 12.760 629 2HG MET 86 2HG MET 86 0.791 5.892 14.330 630 1HE MET 86 1HE MET 86 -0.320 9.789 12.697 631 2HE MET 86 2HE MET 86 0.677 9.605 14.170 632 3HE MET 86 3HE MET 86 1.125 8.729 12.677 633 H LYS 87 H LYS 87 -3.101 3.326 13.115 634 HA LYS 87 HA LYS 87 -4.319 4.681 15.478 635 1HB LYS 87 1HB LYS 87 -5.372 3.049 13.152 636 2HB LYS 87 2HB LYS 87 -6.365 3.084 14.593 637 1HG LYS 87 1HG LYS 87 -5.456 5.810 13.861 638 2HG LYS 87 2HG LYS 87 -6.225 5.021 12.498 639 1HD LYS 87 1HD LYS 87 -8.322 5.330 13.380 640 2HD LYS 87 2HD LYS 87 -7.851 4.577 14.895 641 1HE LYS 87 1HE LYS 87 -6.984 6.697 15.809 642 2HE LYS 87 2HE LYS 87 -7.206 7.529 14.269 643 1HZ LYS 87 1HZ LYS 87 -9.391 7.805 14.697 644 2HZ LYS 87 2HZ LYS 87 -9.620 6.277 15.282 645 3HZ LYS 87 3HZ LYS 87 -9.018 7.457 16.269 646 H GLU 88 H GLU 88 -4.135 1.253 14.428 647 HA GLU 88 HA GLU 88 -5.059 0.025 16.917 648 1HB GLU 88 1HB GLU 88 -3.680 -0.972 14.439 649 2HB GLU 88 2HB GLU 88 -3.483 -1.960 15.872 650 1HG GLU 88 1HG GLU 88 -6.123 -1.866 16.081 651 2HG GLU 88 2HG GLU 88 -6.106 -1.228 14.446 652 H ASP 89 H ASP 89 -3.607 -1.409 18.244 653 HA ASP 89 HA ASP 89 -0.719 -0.611 18.574 654 1HB ASP 89 1HB ASP 89 -0.770 0.576 20.509 655 2HB ASP 89 2HB ASP 89 -2.368 1.016 19.954 656 H ALA 90 H ALA 90 0.434 -2.261 19.278 657 HA ALA 90 HA ALA 90 -0.762 -4.607 20.781 658 1HB ALA 90 1HB ALA 90 0.767 -5.510 18.349 659 2HB ALA 90 2HB ALA 90 -0.680 -6.206 19.105 660 3HB ALA 90 3HB ALA 90 -0.837 -4.819 17.999 Start of MODEL 30 Raw file had 660 H/Q atoms Start of MODEL 30 1 1H ALA 1 1H ALA 1 -18.556 -5.437 3.003 2 2H ALA 1 2H ALA 1 -18.408 -4.140 4.064 3 3H ALA 1 3H ALA 1 -19.525 -5.359 4.376 4 HA ALA 1 HA ALA 1 -20.533 -4.768 2.138 5 1HB ALA 1 1HB ALA 1 -20.834 -3.360 4.817 6 2HB ALA 1 2HB ALA 1 -21.734 -2.705 3.435 7 3HB ALA 1 3HB ALA 1 -21.997 -4.392 3.949 8 H SER 2 H SER 2 -18.031 -4.117 1.439 9 HA SER 2 HA SER 2 -16.918 -2.606 -0.087 10 1HB SER 2 1HB SER 2 -19.051 -0.483 0.370 11 2HB SER 2 2HB SER 2 -18.089 -0.817 -1.072 12 HG SER 2 HG SER 2 -20.367 -2.053 -0.095 13 H MET 3 H MET 3 -15.298 -1.181 0.232 14 HA MET 3 HA MET 3 -15.155 0.391 2.869 15 1HB MET 3 1HB MET 3 -12.958 -1.290 1.540 16 2HB MET 3 2HB MET 3 -13.721 -1.557 3.097 17 1HG MET 3 1HG MET 3 -12.125 -0.306 4.131 18 2HG MET 3 2HG MET 3 -12.572 1.118 3.177 19 1HE MET 3 1HE MET 3 -9.836 -2.220 1.470 20 2HE MET 3 2HE MET 3 -9.680 -1.969 3.234 21 3HE MET 3 3HE MET 3 -11.263 -2.419 2.535 22 H THR 4 H THR 4 -16.207 1.467 0.585 23 HA THR 4 HA THR 4 -14.145 3.171 -0.793 24 HB THR 4 HB THR 4 -15.963 4.184 -2.046 25 HG1 THR 4 HG1 THR 4 -18.042 3.736 -1.654 26 1HG2 THR 4 1HG2 THR 4 -16.934 2.264 -3.252 27 2HG2 THR 4 2HG2 THR 4 -15.215 1.939 -2.932 28 3HG2 THR 4 3HG2 THR 4 -16.474 1.136 -1.958 29 H ASP 5 H ASP 5 -14.983 3.219 2.250 30 HA ASP 5 HA ASP 5 -15.484 6.223 2.503 31 1HB ASP 5 1HB ASP 5 -16.932 4.304 3.730 32 2HB ASP 5 2HB ASP 5 -15.643 4.382 4.908 33 H GLN 6 H GLN 6 -13.341 3.572 3.364 34 HA GLN 6 HA GLN 6 -11.579 5.026 5.240 35 1HB GLN 6 1HB GLN 6 -10.752 2.536 3.653 36 2HB GLN 6 2HB GLN 6 -10.138 3.102 5.196 37 1HG GLN 6 1HG GLN 6 -11.679 1.097 5.354 38 2HG GLN 6 2HG GLN 6 -13.009 2.070 4.760 39 1HE2 GLN 6 1HE2 GLN 6 -13.725 2.601 8.252 40 2HE2 GLN 6 2HE2 GLN 6 -14.262 1.954 6.621 41 H GLN 7 H GLN 7 -11.695 4.615 1.756 42 HA GLN 7 HA GLN 7 -9.056 5.065 0.828 43 1HB GLN 7 1HB GLN 7 -11.721 6.024 -0.333 44 2HB GLN 7 2HB GLN 7 -10.201 6.436 -1.106 45 1HG GLN 7 1HG GLN 7 -9.637 4.064 -1.478 46 2HG GLN 7 2HG GLN 7 -10.998 3.522 -0.517 47 1HE2 GLN 7 1HE2 GLN 7 -12.334 5.436 -3.942 48 2HE2 GLN 7 2HE2 GLN 7 -11.343 6.308 -2.666 49 H ALA 8 H ALA 8 -11.467 7.669 1.368 50 HA ALA 8 HA ALA 8 -9.582 9.888 0.946 51 1HB ALA 8 1HB ALA 8 -12.234 9.793 0.783 52 2HB ALA 8 2HB ALA 8 -12.183 10.269 2.491 53 3HB ALA 8 3HB ALA 8 -11.436 11.312 1.254 54 H GLU 9 H GLU 9 -10.527 8.001 3.742 55 HA GLU 9 HA GLU 9 -9.771 9.756 5.928 56 1HB GLU 9 1HB GLU 9 -9.646 6.694 5.872 57 2HB GLU 9 2HB GLU 9 -9.479 7.678 7.312 58 1HG GLU 9 1HG GLU 9 -12.002 7.998 5.605 59 2HG GLU 9 2HG GLU 9 -11.833 6.572 6.616 60 H ALA 10 H ALA 10 -7.885 7.706 3.778 61 HA ALA 10 HA ALA 10 -5.384 7.552 5.272 62 1HB ALA 10 1HB ALA 10 -4.360 6.824 3.123 63 2HB ALA 10 2HB ALA 10 -5.907 6.005 3.412 64 3HB ALA 10 3HB ALA 10 -5.810 7.330 2.224 65 NH1 ARG 11 NH1 ARG 11 -3.770 12.984 -1.712 66 NH2 ARG 11 NH2 ARG 11 -5.479 14.335 -2.360 67 H ARG 11 H ARG 11 -6.194 9.566 2.421 68 HA ARG 11 HA ARG 11 -3.701 11.168 2.449 69 1HB ARG 11 1HB ARG 11 -6.211 12.207 1.079 70 2HB ARG 11 2HB ARG 11 -4.527 12.302 0.582 71 1HG ARG 11 1HG ARG 11 -4.551 9.756 0.186 72 2HG ARG 11 2HG ARG 11 -6.292 9.784 0.471 73 1HD ARG 11 1HD ARG 11 -4.808 10.532 -1.968 74 2HD ARG 11 2HD ARG 11 -6.529 10.206 -1.773 75 HE ARG 11 HE ARG 11 -6.931 12.612 -1.358 76 1HH1 ARG 11 1HH1 ARG 11 -3.159 13.769 -1.964 77 2HH1 ARG 11 2HH1 ARG 11 -3.478 12.062 -1.370 78 1HH2 ARG 11 1HH2 ARG 11 -6.492 14.467 -2.455 79 2HH2 ARG 11 2HH2 ARG 11 -4.745 15.002 -2.623 80 H ALA 12 H ALA 12 -6.906 11.507 3.855 81 HA ALA 12 HA ALA 12 -6.759 14.406 4.505 82 1HB ALA 12 1HB ALA 12 -8.845 14.010 5.798 83 2HB ALA 12 2HB ALA 12 -8.943 13.269 4.188 84 3HB ALA 12 3HB ALA 12 -8.664 12.248 5.621 85 H PHE 13 H PHE 13 -5.139 11.745 5.789 86 HA PHE 13 HA PHE 13 -4.717 13.147 8.480 87 1HB PHE 13 1HB PHE 13 -5.925 10.907 8.588 88 2HB PHE 13 2HB PHE 13 -4.508 10.123 7.940 89 HD1 PHE 13 HD1 PHE 13 -4.895 12.830 10.605 90 HD2 PHE 13 HD2 PHE 13 -3.510 8.859 9.689 91 HE1 PHE 13 HE1 PHE 13 -4.015 12.597 12.892 92 HE2 PHE 13 HE2 PHE 13 -2.652 8.640 11.984 93 HZ PHE 13 HZ PHE 13 -2.943 10.486 13.601 94 H LEU 14 H LEU 14 -3.367 13.638 5.962 95 HA LEU 14 HA LEU 14 -0.610 13.852 6.969 96 1HB LEU 14 1HB LEU 14 -0.005 11.684 6.481 97 2HB LEU 14 2HB LEU 14 0.401 12.462 4.966 98 HG LEU 14 HG LEU 14 -2.377 11.247 5.173 99 1HD1 LEU 14 1HD1 LEU 14 0.114 9.481 4.731 100 2HD1 LEU 14 2HD1 LEU 14 -0.830 9.516 6.231 101 3HD1 LEU 14 3HD1 LEU 14 -1.588 8.953 4.721 102 1HD2 LEU 14 1HD2 LEU 14 -2.056 10.763 2.782 103 2HD2 LEU 14 2HD2 LEU 14 -1.526 12.441 3.059 104 3HD2 LEU 14 3HD2 LEU 14 -0.321 11.158 2.873 105 H SER 15 H SER 15 0.437 15.409 5.883 106 HA SER 15 HA SER 15 -0.967 17.192 4.034 107 1HB SER 15 1HB SER 15 0.679 18.130 5.526 108 2HB SER 15 2HB SER 15 1.226 18.415 3.872 109 HG SER 15 HG SER 15 2.058 16.042 5.059 110 H GLU 16 H GLU 16 -0.185 17.815 1.892 111 HA GLU 16 HA GLU 16 0.120 15.554 0.013 112 1HB GLU 16 1HB GLU 16 0.599 17.631 -1.634 113 2HB GLU 16 2HB GLU 16 -0.044 18.561 -0.295 114 1HG GLU 16 1HG GLU 16 -1.563 17.407 -2.324 115 2HG GLU 16 2HG GLU 16 -1.719 16.174 -1.084 116 H GLU 17 H GLU 17 2.266 17.869 1.530 117 HA GLU 17 HA GLU 17 4.606 17.507 -0.263 118 1HB GLU 17 1HB GLU 17 5.809 18.976 1.047 119 2HB GLU 17 2HB GLU 17 4.162 19.522 1.295 120 1HG GLU 17 1HG GLU 17 5.462 17.602 3.311 121 2HG GLU 17 2HG GLU 17 4.075 18.650 3.553 122 H MET 18 H MET 18 3.450 16.033 2.725 123 HA MET 18 HA MET 18 5.787 14.334 3.323 124 1HB MET 18 1HB MET 18 4.346 14.623 5.168 125 2HB MET 18 2HB MET 18 2.889 14.328 4.237 126 1HG MET 18 1HG MET 18 3.896 11.830 3.989 127 2HG MET 18 2HG MET 18 2.996 12.329 5.429 128 1HE MET 18 1HE MET 18 3.699 12.274 7.655 129 2HE MET 18 2HE MET 18 5.364 12.180 8.301 130 3HE MET 18 3HE MET 18 4.745 13.728 7.657 131 H ILE 19 H ILE 19 2.892 14.010 1.337 132 HA ILE 19 HA ILE 19 3.038 11.181 0.604 133 HB ILE 19 HB ILE 19 1.991 13.447 -1.170 134 1HG1 ILE 19 1HG1 ILE 19 0.816 12.219 1.306 135 2HG1 ILE 19 2HG1 ILE 19 0.476 13.759 0.547 136 1HG2 ILE 19 1HG2 ILE 19 0.622 11.671 -2.286 137 2HG2 ILE 19 2HG2 ILE 19 2.338 11.295 -2.424 138 3HG2 ILE 19 3HG2 ILE 19 1.341 10.425 -1.237 139 1HD1 ILE 19 1HD1 ILE 19 -0.745 11.085 -0.354 140 2HD1 ILE 19 2HD1 ILE 19 -1.555 12.425 0.484 141 3HD1 ILE 19 3HD1 ILE 19 -0.985 12.645 -1.187 142 H ALA 20 H ALA 20 4.563 14.117 -0.694 143 HA ALA 20 HA ALA 20 5.788 13.212 -3.089 144 1HB ALA 20 1HB ALA 20 7.430 15.007 -1.272 145 2HB ALA 20 2HB ALA 20 7.125 15.130 -3.015 146 3HB ALA 20 3HB ALA 20 5.853 15.589 -1.855 147 H GLU 21 H GLU 21 6.809 12.694 0.257 148 HA GLU 21 HA GLU 21 9.474 11.518 -0.403 149 1HB GLU 21 1HB GLU 21 7.948 11.777 2.233 150 2HB GLU 21 2HB GLU 21 9.275 12.767 1.658 151 1HG GLU 21 1HG GLU 21 9.568 9.766 2.321 152 2HG GLU 21 2HG GLU 21 10.873 10.863 1.906 153 H PHE 22 H PHE 22 6.265 10.362 0.539 154 HA PHE 22 HA PHE 22 6.721 7.575 1.000 155 1HB PHE 22 1HB PHE 22 4.287 7.333 -0.115 156 2HB PHE 22 2HB PHE 22 4.304 9.077 -0.101 157 HD1 PHE 22 HD1 PHE 22 2.271 7.581 1.462 158 HD2 PHE 22 HD2 PHE 22 6.215 8.832 2.649 159 HE1 PHE 22 HE1 PHE 22 1.597 7.500 3.824 160 HE2 PHE 22 HE2 PHE 22 5.519 8.747 5.008 161 HZ PHE 22 HZ PHE 22 3.205 8.111 5.599 162 H LYS 23 H LYS 23 6.105 9.273 -2.069 163 HA LYS 23 HA LYS 23 5.927 7.113 -3.930 164 1HB LYS 23 1HB LYS 23 7.322 9.801 -4.483 165 2HB LYS 23 2HB LYS 23 6.758 8.681 -5.705 166 1HG LYS 23 1HG LYS 23 4.410 9.080 -5.109 167 2HG LYS 23 2HG LYS 23 4.852 9.951 -3.654 168 1HD LYS 23 1HD LYS 23 5.647 11.890 -4.918 169 2HD LYS 23 2HD LYS 23 5.703 10.971 -6.413 170 1HE LYS 23 1HE LYS 23 3.726 12.641 -6.135 171 2HE LYS 23 2HE LYS 23 3.337 11.034 -6.753 172 1HZ LYS 23 1HZ LYS 23 3.202 11.392 -3.843 173 2HZ LYS 23 2HZ LYS 23 2.038 12.145 -4.742 174 3HZ LYS 23 3HZ LYS 23 2.227 10.506 -4.841 175 H ALA 24 H ALA 24 8.790 8.654 -2.520 176 HA ALA 24 HA ALA 24 10.905 7.589 -4.173 177 1HB ALA 24 1HB ALA 24 12.425 8.051 -2.259 178 2HB ALA 24 2HB ALA 24 11.292 9.391 -2.517 179 3HB ALA 24 3HB ALA 24 11.036 8.258 -1.165 180 H ALA 25 H ALA 25 9.833 6.371 -0.977 181 HA ALA 25 HA ALA 25 11.481 3.979 -0.888 182 1HB ALA 25 1HB ALA 25 10.003 3.238 0.972 183 2HB ALA 25 2HB ALA 25 10.442 4.948 1.143 184 3HB ALA 25 3HB ALA 25 8.814 4.501 0.573 185 H PHE 26 H PHE 26 8.306 4.618 -2.261 186 HA PHE 26 HA PHE 26 7.385 1.859 -2.632 187 1HB PHE 26 1HB PHE 26 6.518 4.301 -4.287 188 2HB PHE 26 2HB PHE 26 5.949 4.003 -2.665 189 HD1 PHE 26 HD1 PHE 26 3.634 3.453 -2.947 190 HD2 PHE 26 HD2 PHE 26 6.514 1.512 -5.485 191 HE1 PHE 26 HE1 PHE 26 1.877 1.965 -3.821 192 HE2 PHE 26 HE2 PHE 26 4.737 0.060 -6.377 193 HZ PHE 26 HZ PHE 26 2.422 0.275 -5.540 194 H ASP 27 H ASP 27 9.284 4.115 -4.567 195 HA ASP 27 HA ASP 27 9.315 2.482 -7.063 196 1HB ASP 27 1HB ASP 27 10.627 5.087 -6.229 197 2HB ASP 27 2HB ASP 27 11.346 4.197 -7.551 198 H MET 28 H MET 28 10.991 2.350 -4.089 199 HA MET 28 HA MET 28 13.660 1.473 -4.901 200 1HB MET 28 1HB MET 28 12.098 1.032 -2.311 201 2HB MET 28 2HB MET 28 13.643 0.241 -2.572 202 1HG MET 28 1HG MET 28 14.459 2.773 -3.175 203 2HG MET 28 2HG MET 28 13.064 3.195 -2.169 204 1HE MET 28 1HE MET 28 15.948 0.361 -2.191 205 2HE MET 28 2HE MET 28 16.743 1.961 -2.252 206 3HE MET 28 3HE MET 28 16.908 0.940 -0.794 207 H PHE 29 H PHE 29 10.640 -0.292 -4.252 208 HA PHE 29 HA PHE 29 11.881 -2.929 -5.214 209 1HB PHE 29 1HB PHE 29 9.140 -2.529 -3.852 210 2HB PHE 29 2HB PHE 29 9.838 -4.050 -4.333 211 HD1 PHE 29 HD1 PHE 29 11.578 -5.175 -3.010 212 HD2 PHE 29 HD2 PHE 29 10.197 -1.265 -1.853 213 HE1 PHE 29 HE1 PHE 29 12.558 -5.477 -0.773 214 HE2 PHE 29 HE2 PHE 29 11.204 -1.580 0.370 215 HZ PHE 29 HZ PHE 29 12.381 -3.681 0.915 216 H ASP 30 H ASP 30 11.177 -0.591 -6.884 217 HA ASP 30 HA ASP 30 9.832 -1.996 -9.126 218 1HB ASP 30 1HB ASP 30 7.907 -1.199 -7.470 219 2HB ASP 30 2HB ASP 30 8.205 0.386 -8.146 220 H ALA 31 H ALA 31 11.827 -1.387 -10.016 221 HA ALA 31 HA ALA 31 13.124 1.137 -10.264 222 1HB ALA 31 1HB ALA 31 14.038 0.323 -12.442 223 2HB ALA 31 2HB ALA 31 14.075 -0.943 -11.199 224 3HB ALA 31 3HB ALA 31 12.841 -0.994 -12.485 225 H ASP 32 H ASP 32 11.203 -0.066 -12.996 226 HA ASP 32 HA ASP 32 10.039 2.716 -13.469 227 1HB ASP 32 1HB ASP 32 9.794 0.565 -15.588 228 2HB ASP 32 2HB ASP 32 9.889 2.303 -15.757 229 H GLY 33 H GLY 33 7.828 2.936 -13.940 230 1HA GLY 33 1HA GLY 33 5.978 0.630 -13.079 231 2HA GLY 33 2HA GLY 33 5.540 1.782 -14.346 232 H GLY 34 H GLY 34 6.762 1.928 -10.984 233 1HA GLY 34 1HA GLY 34 5.988 3.172 -9.045 234 2HA GLY 34 2HA GLY 34 5.863 4.516 -10.186 235 H GLY 35 H GLY 35 4.069 1.440 -9.985 236 1HA GLY 35 1HA GLY 35 1.425 2.973 -9.640 237 2HA GLY 35 2HA GLY 35 1.573 1.717 -10.874 238 H ASP 36 H ASP 36 2.802 -0.324 -9.805 239 HA ASP 36 HA ASP 36 1.419 -1.099 -7.194 240 1HB ASP 36 1HB ASP 36 0.748 -3.330 -8.254 241 2HB ASP 36 2HB ASP 36 -0.201 -1.926 -8.682 242 H ILE 37 H ILE 37 2.291 -3.065 -6.279 243 HA ILE 37 HA ILE 37 5.027 -4.020 -7.231 244 HB ILE 37 HB ILE 37 5.936 -3.800 -4.864 245 1HG1 ILE 37 1HG1 ILE 37 3.531 -1.900 -4.533 246 2HG1 ILE 37 2HG1 ILE 37 5.005 -1.675 -3.615 247 1HG2 ILE 37 1HG2 ILE 37 6.819 -1.500 -5.275 248 2HG2 ILE 37 2HG2 ILE 37 6.733 -2.401 -6.795 249 3HG2 ILE 37 3HG2 ILE 37 5.507 -1.163 -6.430 250 1HD1 ILE 37 1HD1 ILE 37 4.792 -3.874 -2.499 251 2HD1 ILE 37 2HD1 ILE 37 3.302 -2.926 -2.304 252 3HD1 ILE 37 3HD1 ILE 37 3.351 -4.261 -3.478 253 H SER 38 H SER 38 5.670 -5.949 -5.947 254 HA SER 38 HA SER 38 3.605 -7.992 -5.835 255 1HB SER 38 1HB SER 38 5.402 -9.320 -5.850 256 2HB SER 38 2HB SER 38 5.827 -8.829 -4.196 257 HG SER 38 HG SER 38 7.338 -8.516 -6.024 258 H THR 39 H THR 39 2.892 -9.191 -3.995 259 HA THR 39 HA THR 39 2.052 -7.456 -1.681 260 HB THR 39 HB THR 39 0.589 -9.318 -0.990 261 HG1 THR 39 HG1 THR 39 2.220 -10.753 -2.406 262 1HG2 THR 39 1HG2 THR 39 -1.014 -9.309 -2.850 263 2HG2 THR 39 2HG2 THR 39 -0.303 -7.685 -2.705 264 3HG2 THR 39 3HG2 THR 39 0.233 -8.783 -4.004 265 H LYS 40 H LYS 40 4.188 -10.155 -2.393 266 HA LYS 40 HA LYS 40 4.729 -11.105 0.321 267 1HB LYS 40 1HB LYS 40 6.232 -11.341 -2.326 268 2HB LYS 40 2HB LYS 40 7.030 -11.848 -0.852 269 1HG LYS 40 1HG LYS 40 4.771 -13.118 -2.368 270 2HG LYS 40 2HG LYS 40 6.119 -13.866 -1.534 271 1HD LYS 40 1HD LYS 40 4.915 -13.349 0.709 272 2HD LYS 40 2HD LYS 40 3.556 -12.769 -0.240 273 1HE LYS 40 1HE LYS 40 2.942 -14.914 -1.026 274 2HE LYS 40 2HE LYS 40 4.557 -15.596 -0.822 275 1HZ LYS 40 1HZ LYS 40 3.597 -16.458 1.019 276 2HZ LYS 40 2HZ LYS 40 3.931 -15.000 1.721 277 3HZ LYS 40 3HZ LYS 40 2.419 -15.305 1.130 278 H GLU 41 H GLU 41 6.065 -8.528 -1.676 279 HA GLU 41 HA GLU 41 8.262 -7.877 0.302 280 1HB GLU 41 1HB GLU 41 7.663 -6.932 -2.532 281 2HB GLU 41 2HB GLU 41 8.777 -6.040 -1.514 282 1HG GLU 41 1HG GLU 41 10.284 -8.011 -1.320 283 2HG GLU 41 2HG GLU 41 9.119 -9.042 -2.134 284 H LEU 42 H LEU 42 5.209 -6.625 -0.920 285 HA LEU 42 HA LEU 42 5.097 -3.930 -0.299 286 1HB LEU 42 1HB LEU 42 3.075 -6.121 -0.322 287 2HB LEU 42 2HB LEU 42 3.065 -4.568 -1.130 288 HG LEU 42 HG LEU 42 2.524 -4.690 1.883 289 1HD1 LEU 42 1HD1 LEU 42 1.144 -2.649 1.400 290 2HD1 LEU 42 2HD1 LEU 42 2.822 -2.426 0.884 291 3HD1 LEU 42 3HD1 LEU 42 1.561 -2.758 -0.330 292 1HD2 LEU 42 1HD2 LEU 42 0.391 -5.191 -0.300 293 2HD2 LEU 42 2HD2 LEU 42 0.970 -6.383 0.890 294 3HD2 LEU 42 3HD2 LEU 42 0.076 -4.954 1.438 295 H GLY 43 H GLY 43 4.592 -6.561 2.074 296 1HA GLY 43 1HA GLY 43 4.551 -6.552 4.523 297 2HA GLY 43 2HA GLY 43 4.111 -4.846 4.422 298 H THR 44 H THR 44 7.020 -6.577 3.233 299 HA THR 44 HA THR 44 8.952 -5.806 5.126 300 HB THR 44 HB THR 44 9.243 -6.325 2.158 301 HG1 THR 44 HG1 THR 44 10.727 -7.622 4.055 302 1HG2 THR 44 1HG2 THR 44 11.730 -6.248 2.363 303 2HG2 THR 44 2HG2 THR 44 11.023 -4.629 2.548 304 3HG2 THR 44 3HG2 THR 44 11.591 -5.520 3.983 305 H VAL 45 H VAL 45 7.380 -3.890 2.653 306 HA VAL 45 HA VAL 45 9.186 -1.533 2.754 307 HB VAL 45 HB VAL 45 6.324 -1.565 1.673 308 1HG1 VAL 45 1HG1 VAL 45 8.867 -2.151 0.031 309 2HG1 VAL 45 2HG1 VAL 45 7.781 -3.414 0.623 310 3HG1 VAL 45 3HG1 VAL 45 7.174 -2.201 -0.526 311 1HG2 VAL 45 1HG2 VAL 45 6.967 0.329 0.276 312 2HG2 VAL 45 2HG2 VAL 45 7.460 0.742 1.934 313 3HG2 VAL 45 3HG2 VAL 45 8.678 0.210 0.765 314 H MET 46 H MET 46 6.052 -2.460 4.172 315 HA MET 46 HA MET 46 5.430 0.061 5.517 316 1HB MET 46 1HB MET 46 3.544 -0.957 6.288 317 2HB MET 46 2HB MET 46 3.965 -2.161 5.081 318 1HG MET 46 1HG MET 46 5.287 -3.338 7.124 319 2HG MET 46 2HG MET 46 3.543 -3.557 6.905 320 1HE MET 46 1HE MET 46 2.021 -3.449 8.916 321 2HE MET 46 2HE MET 46 3.472 -4.292 9.534 322 3HE MET 46 3HE MET 46 2.684 -3.031 10.527 323 NH1 ARG 47 NH1 ARG 47 12.878 -6.184 9.400 324 NH2 ARG 47 NH2 ARG 47 12.566 -7.520 11.211 325 H ARG 47 H ARG 47 7.533 -2.611 6.343 326 HA ARG 47 HA ARG 47 7.823 -1.757 9.263 327 1HB ARG 47 1HB ARG 47 7.561 -4.088 9.243 328 2HB ARG 47 2HB ARG 47 8.382 -4.291 7.703 329 1HG ARG 47 1HG ARG 47 9.714 -3.799 10.425 330 2HG ARG 47 2HG ARG 47 10.604 -3.651 8.909 331 1HD ARG 47 1HD ARG 47 9.002 -6.211 9.388 332 2HD ARG 47 2HD ARG 47 10.439 -5.979 8.394 333 HE ARG 47 HE ARG 47 10.488 -6.087 11.451 334 1HH1 ARG 47 1HH1 ARG 47 13.558 -7.759 11.106 335 2HH1 ARG 47 2HH1 ARG 47 11.909 -7.905 11.898 336 1HH2 ARG 47 1HH2 ARG 47 12.456 -5.569 8.696 337 2HH2 ARG 47 2HH2 ARG 47 13.856 -6.494 9.439 338 H MET 48 H MET 48 9.520 -1.865 6.191 339 HA MET 48 HA MET 48 12.213 -1.240 7.409 340 1HB MET 48 1HB MET 48 11.928 -2.774 5.365 341 2HB MET 48 2HB MET 48 11.490 -1.363 4.419 342 1HG MET 48 1HG MET 48 13.700 -1.069 3.949 343 2HG MET 48 2HG MET 48 13.962 -0.610 5.638 344 1HE MET 48 1HE MET 48 16.312 -1.642 4.184 345 2HE MET 48 2HE MET 48 16.723 -3.378 4.312 346 3HE MET 48 3HE MET 48 15.572 -2.826 3.061 347 H LEU 49 H LEU 49 9.665 0.598 7.298 348 HA LEU 49 HA LEU 49 11.057 3.144 6.332 349 1HB LEU 49 1HB LEU 49 8.671 4.142 6.858 350 2HB LEU 49 2HB LEU 49 8.120 2.481 6.887 351 HG LEU 49 HG LEU 49 8.706 2.128 4.532 352 1HD1 LEU 49 1HD1 LEU 49 7.201 3.783 3.417 353 2HD1 LEU 49 2HD1 LEU 49 6.506 3.245 4.957 354 3HD1 LEU 49 3HD1 LEU 49 7.272 4.849 4.843 355 1HD2 LEU 49 1HD2 LEU 49 9.944 4.964 4.529 356 2HD2 LEU 49 2HD2 LEU 49 10.834 3.429 4.373 357 3HD2 LEU 49 3HD2 LEU 49 9.715 3.929 3.096 358 H GLY 50 H GLY 50 9.932 1.321 9.099 359 1HA GLY 50 1HA GLY 50 9.706 3.506 11.045 360 2HA GLY 50 2HA GLY 50 11.355 2.912 11.146 361 H GLN 51 H GLN 51 8.616 0.823 10.371 362 HA GLN 51 HA GLN 51 8.033 0.017 13.213 363 1HB GLN 51 1HB GLN 51 6.839 -0.716 10.502 364 2HB GLN 51 2HB GLN 51 6.545 -1.757 11.884 365 1HG GLN 51 1HG GLN 51 4.686 -0.366 12.004 366 2HG GLN 51 2HG GLN 51 5.751 0.438 13.138 367 1HE2 GLN 51 1HE2 GLN 51 4.583 3.272 11.110 368 2HE2 GLN 51 2HE2 GLN 51 3.987 2.116 12.405 369 H ASN 52 H ASN 52 7.697 -2.523 13.376 370 HA ASN 52 HA ASN 52 9.993 -4.147 12.338 371 1HB ASN 52 1HB ASN 52 11.031 -2.726 14.113 372 2HB ASN 52 2HB ASN 52 9.932 -3.370 15.314 373 1HD2 ASN 52 1HD2 ASN 52 13.327 -5.420 14.214 374 2HD2 ASN 52 2HD2 ASN 52 12.819 -3.835 13.442 375 HA PRO 53 HA PRO 53 6.099 -6.373 14.202 376 1HB PRO 53 1HB PRO 53 4.644 -7.118 11.996 377 2HB PRO 53 2HB PRO 53 4.624 -5.481 12.670 378 1HG PRO 53 1HG PRO 53 6.198 -6.484 10.254 379 2HG PRO 53 2HG PRO 53 5.252 -4.985 10.401 380 1HD PRO 53 1HD PRO 53 8.042 -5.137 10.749 381 2HD PRO 53 2HD PRO 53 7.034 -3.866 11.507 382 H THR 54 H THR 54 5.135 -8.682 12.956 383 HA THR 54 HA THR 54 7.572 -10.525 12.843 384 HB THR 54 HB THR 54 4.801 -11.618 13.370 385 HG1 THR 54 HG1 THR 54 4.912 -10.005 14.815 386 1HG2 THR 54 1HG2 THR 54 6.006 -13.267 14.764 387 2HG2 THR 54 2HG2 THR 54 6.705 -13.240 13.129 388 3HG2 THR 54 3HG2 THR 54 7.557 -12.444 14.476 389 H LYS 55 H LYS 55 6.934 -12.633 11.599 390 HA LYS 55 HA LYS 55 6.383 -11.845 8.751 391 1HB LYS 55 1HB LYS 55 7.391 -14.391 10.101 392 2HB LYS 55 2HB LYS 55 6.782 -14.483 8.462 393 1HG LYS 55 1HG LYS 55 9.008 -12.535 9.304 394 2HG LYS 55 2HG LYS 55 9.335 -14.184 8.808 395 1HD LYS 55 1HD LYS 55 8.916 -13.753 6.534 396 2HD LYS 55 2HD LYS 55 7.658 -12.580 6.888 397 1HE LYS 55 1HE LYS 55 9.180 -10.773 7.215 398 2HE LYS 55 2HE LYS 55 10.561 -11.828 7.518 399 1HZ LYS 55 1HZ LYS 55 9.971 -12.546 5.020 400 2HZ LYS 55 2HZ LYS 55 9.391 -11.000 4.973 401 3HZ LYS 55 3HZ LYS 55 10.971 -11.277 5.366 402 H GLU 56 H GLU 56 4.926 -13.771 11.334 403 HA GLU 56 HA GLU 56 2.762 -15.031 9.821 404 1HB GLU 56 1HB GLU 56 2.127 -15.996 11.758 405 2HB GLU 56 2HB GLU 56 3.698 -15.445 12.305 406 1HG GLU 56 1HG GLU 56 2.334 -13.260 13.119 407 2HG GLU 56 2HG GLU 56 0.938 -14.316 12.986 408 H GLU 57 H GLU 57 3.128 -11.915 11.418 409 HA GLU 57 HA GLU 57 0.317 -11.005 11.335 410 1HB GLU 57 1HB GLU 57 2.733 -9.136 11.286 411 2HB GLU 57 2HB GLU 57 1.108 -8.786 11.840 412 1HG GLU 57 1HG GLU 57 2.745 -10.961 13.256 413 2HG GLU 57 2HG GLU 57 3.078 -9.269 13.580 414 H LEU 58 H LEU 58 3.066 -10.900 9.119 415 HA LEU 58 HA LEU 58 2.052 -9.084 7.059 416 1HB LEU 58 1HB LEU 58 4.443 -10.088 7.307 417 2HB LEU 58 2HB LEU 58 3.827 -11.531 6.531 418 HG LEU 58 HG LEU 58 3.388 -8.888 5.087 419 1HD1 LEU 58 1HD1 LEU 58 4.211 -11.651 3.991 420 2HD1 LEU 58 2HD1 LEU 58 2.528 -11.140 4.187 421 3HD1 LEU 58 3HD1 LEU 58 3.593 -10.260 3.064 422 1HD2 LEU 58 1HD2 LEU 58 5.657 -8.875 4.107 423 2HD2 LEU 58 2HD2 LEU 58 5.816 -8.811 5.880 424 3HD2 LEU 58 3HD2 LEU 58 6.115 -10.333 5.022 425 H ASP 59 H ASP 59 1.526 -12.489 7.790 426 HA ASP 59 HA ASP 59 0.163 -13.223 5.276 427 1HB ASP 59 1HB ASP 59 0.465 -14.642 7.959 428 2HB ASP 59 2HB ASP 59 1.185 -15.036 6.415 429 H ALA 60 H ALA 60 -0.854 -11.973 8.402 430 HA ALA 60 HA ALA 60 -3.762 -12.296 8.162 431 1HB ALA 60 1HB ALA 60 -3.907 -10.556 9.937 432 2HB ALA 60 2HB ALA 60 -2.682 -11.779 10.328 433 3HB ALA 60 3HB ALA 60 -2.180 -10.171 9.746 434 H ILE 61 H ILE 61 -1.664 -9.448 7.569 435 HA ILE 61 HA ILE 61 -3.529 -7.633 6.448 436 HB ILE 61 HB ILE 61 -0.551 -7.897 6.197 437 1HG1 ILE 61 1HG1 ILE 61 -0.949 -5.255 6.710 438 2HG1 ILE 61 2HG1 ILE 61 -2.529 -5.807 7.224 439 1HG2 ILE 61 1HG2 ILE 61 -0.352 -6.035 4.528 440 2HG2 ILE 61 2HG2 ILE 61 -1.150 -7.433 3.809 441 3HG2 ILE 61 3HG2 ILE 61 -2.118 -6.024 4.303 442 1HD1 ILE 61 1HD1 ILE 61 0.119 -6.774 8.453 443 2HD1 ILE 61 2HD1 ILE 61 -1.091 -5.698 9.182 444 3HD1 ILE 61 3HD1 ILE 61 -1.495 -7.404 8.882 445 H ILE 62 H ILE 62 -1.864 -10.393 5.027 446 HA ILE 62 HA ILE 62 -2.536 -9.852 2.186 447 HB ILE 62 HB ILE 62 -1.456 -12.355 3.568 448 1HG1 ILE 62 1HG1 ILE 62 -0.042 -10.068 3.035 449 2HG1 ILE 62 2HG1 ILE 62 0.671 -11.667 3.019 450 1HG2 ILE 62 1HG2 ILE 62 -1.081 -13.360 1.301 451 2HG2 ILE 62 2HG2 ILE 62 -2.801 -13.099 1.580 452 3HG2 ILE 62 3HG2 ILE 62 -1.901 -11.979 0.532 453 1HD1 ILE 62 1HD1 ILE 62 -0.231 -10.156 0.497 454 2HD1 ILE 62 2HD1 ILE 62 1.429 -10.485 1.036 455 3HD1 ILE 62 3HD1 ILE 62 0.389 -11.830 0.515 456 H GLU 63 H GLU 63 -3.960 -11.683 4.840 457 HA GLU 63 HA GLU 63 -5.977 -13.149 3.273 458 1HB GLU 63 1HB GLU 63 -5.257 -14.001 5.436 459 2HB GLU 63 2HB GLU 63 -5.814 -12.565 6.272 460 1HG GLU 63 1HG GLU 63 -8.220 -13.315 5.210 461 2HG GLU 63 2HG GLU 63 -7.439 -14.886 5.156 462 H GLU 64 H GLU 64 -5.861 -9.980 4.778 463 HA GLU 64 HA GLU 64 -8.814 -9.490 4.642 464 1HB GLU 64 1HB GLU 64 -6.702 -7.377 5.280 465 2HB GLU 64 2HB GLU 64 -7.154 -8.607 6.445 466 1HG GLU 64 1HG GLU 64 -9.394 -6.952 5.189 467 2HG GLU 64 2HG GLU 64 -8.342 -6.167 6.355 468 H VAL 65 H VAL 65 -5.901 -8.467 2.894 469 HA VAL 65 HA VAL 65 -7.270 -6.421 1.212 470 HB VAL 65 HB VAL 65 -4.452 -7.595 1.019 471 1HG1 VAL 65 1HG1 VAL 65 -3.921 -5.796 -0.638 472 2HG1 VAL 65 2HG1 VAL 65 -5.167 -6.888 -1.270 473 3HG1 VAL 65 3HG1 VAL 65 -5.625 -5.278 -0.664 474 1HG2 VAL 65 1HG2 VAL 65 -5.394 -4.813 2.003 475 2HG2 VAL 65 2HG2 VAL 65 -4.749 -6.125 3.018 476 3HG2 VAL 65 3HG2 VAL 65 -3.701 -5.338 1.829 477 H ASP 66 H ASP 66 -6.110 -9.765 0.816 478 HA ASP 66 HA ASP 66 -7.221 -9.901 -2.018 479 1HB ASP 66 1HB ASP 66 -4.778 -10.683 -1.337 480 2HB ASP 66 2HB ASP 66 -5.569 -12.128 -0.752 481 H GLU 67 H GLU 67 -9.077 -9.697 -0.040 482 HA GLU 67 HA GLU 67 -10.166 -12.333 0.870 483 1HB GLU 67 1HB GLU 67 -10.730 -10.598 2.334 484 2HB GLU 67 2HB GLU 67 -11.123 -9.465 1.056 485 1HG GLU 67 1HG GLU 67 -13.313 -10.352 0.734 486 2HG GLU 67 2HG GLU 67 -12.892 -11.936 1.365 487 H ASP 68 H ASP 68 -10.607 -10.075 -1.796 488 HA ASP 68 HA ASP 68 -12.826 -11.737 -3.049 489 1HB ASP 68 1HB ASP 68 -11.740 -8.965 -3.783 490 2HB ASP 68 2HB ASP 68 -12.813 -9.860 -4.833 491 H GLY 69 H GLY 69 -10.394 -9.956 -4.864 492 1HA GLY 69 1HA GLY 69 -9.815 -11.795 -6.962 493 2HA GLY 69 2HA GLY 69 -8.804 -12.380 -5.636 494 H SER 70 H SER 70 -7.597 -11.558 -7.869 495 HA SER 70 HA SER 70 -5.870 -10.134 -8.766 496 1HB SER 70 1HB SER 70 -6.875 -7.748 -7.180 497 2HB SER 70 2HB SER 70 -7.894 -8.412 -8.460 498 HG SER 70 HG SER 70 -6.435 -7.920 -9.929 499 H GLY 71 H GLY 71 -3.985 -10.751 -7.968 500 1HA GLY 71 1HA GLY 71 -2.373 -11.409 -6.164 501 2HA GLY 71 2HA GLY 71 -3.270 -10.389 -5.035 502 H THR 72 H THR 72 -3.391 -7.990 -5.911 503 HA THR 72 HA THR 72 -0.538 -7.042 -6.273 504 HB THR 72 HB THR 72 -1.474 -5.236 -7.937 505 HG1 THR 72 HG1 THR 72 -3.407 -5.569 -8.418 506 1HG2 THR 72 1HG2 THR 72 -1.256 -7.896 -9.375 507 2HG2 THR 72 2HG2 THR 72 -0.534 -6.323 -9.780 508 3HG2 THR 72 3HG2 THR 72 0.173 -7.325 -8.485 509 H ILE 73 H ILE 73 -0.248 -4.817 -5.666 510 HA ILE 73 HA ILE 73 -2.499 -3.544 -4.088 511 HB ILE 73 HB ILE 73 -0.930 -4.874 -2.571 512 1HG1 ILE 73 1HG1 ILE 73 -0.853 -2.690 -0.915 513 2HG1 ILE 73 2HG1 ILE 73 -1.925 -2.060 -2.153 514 1HG2 ILE 73 1HG2 ILE 73 1.170 -3.873 -1.750 515 2HG2 ILE 73 2HG2 ILE 73 1.305 -4.134 -3.495 516 3HG2 ILE 73 3HG2 ILE 73 1.015 -2.494 -2.864 517 1HD1 ILE 73 1HD1 ILE 73 -2.883 -3.458 -0.023 518 2HD1 ILE 73 2HD1 ILE 73 -3.689 -3.452 -1.606 519 3HD1 ILE 73 3HD1 ILE 73 -2.650 -4.822 -1.150 520 H ASP 74 H ASP 74 -2.475 -1.314 -4.022 521 HA ASP 74 HA ASP 74 -0.749 0.023 -6.170 522 1HB ASP 74 1HB ASP 74 -3.049 1.617 -5.707 523 2HB ASP 74 2HB ASP 74 -3.579 -0.079 -5.909 524 H PHE 75 H PHE 75 -0.765 2.510 -5.791 525 HA PHE 75 HA PHE 75 0.773 2.982 -3.288 526 1HB PHE 75 1HB PHE 75 1.489 3.988 -5.435 527 2HB PHE 75 2HB PHE 75 0.002 4.886 -5.579 528 HD1 PHE 75 HD1 PHE 75 -0.157 7.097 -4.591 529 HD2 PHE 75 HD2 PHE 75 3.034 4.492 -3.345 530 HE1 PHE 75 HE1 PHE 75 0.941 8.975 -3.441 531 HE2 PHE 75 HE2 PHE 75 4.108 6.381 -2.187 532 HZ PHE 75 HZ PHE 75 3.070 8.621 -2.236 533 H GLU 76 H GLU 76 -2.433 3.714 -4.547 534 HA GLU 76 HA GLU 76 -3.329 5.650 -2.544 535 1HB GLU 76 1HB GLU 76 -4.840 3.800 -4.434 536 2HB GLU 76 2HB GLU 76 -5.703 4.729 -3.225 537 1HG GLU 76 1HG GLU 76 -3.829 6.030 -5.304 538 2HG GLU 76 2HG GLU 76 -4.908 6.871 -4.203 539 H GLU 77 H GLU 77 -3.967 2.146 -2.847 540 HA GLU 77 HA GLU 77 -5.301 1.733 -0.272 541 1HB GLU 77 1HB GLU 77 -3.675 -0.535 -1.421 542 2HB GLU 77 2HB GLU 77 -5.254 -0.550 -0.662 543 1HG GLU 77 1HG GLU 77 -6.082 0.738 -2.844 544 2HG GLU 77 2HG GLU 77 -4.556 0.230 -3.547 545 H PHE 78 H PHE 78 -1.930 1.823 -1.284 546 HA PHE 78 HA PHE 78 -0.598 0.699 1.015 547 1HB PHE 78 1HB PHE 78 0.377 2.915 -0.880 548 2HB PHE 78 2HB PHE 78 0.593 1.198 -1.098 549 HD1 PHE 78 HD1 PHE 78 1.584 0.198 1.510 550 HD2 PHE 78 HD2 PHE 78 2.426 3.962 -0.396 551 HE1 PHE 78 HE1 PHE 78 3.748 0.317 2.677 552 HE2 PHE 78 HE2 PHE 78 4.597 4.051 0.759 553 HZ PHE 78 HZ PHE 78 5.252 2.245 2.313 554 H LEU 79 H LEU 79 -1.683 4.021 0.346 555 HA LEU 79 HA LEU 79 -0.681 5.311 2.794 556 1HB LEU 79 1HB LEU 79 -2.414 7.110 2.269 557 2HB LEU 79 2HB LEU 79 -3.010 6.118 0.956 558 HG LEU 79 HG LEU 79 -0.549 6.208 -0.002 559 1HD1 LEU 79 1HD1 LEU 79 -0.395 8.681 1.836 560 2HD1 LEU 79 2HD1 LEU 79 0.487 7.169 2.123 561 3HD1 LEU 79 3HD1 LEU 79 0.837 8.137 0.669 562 1HD2 LEU 79 1HD2 LEU 79 -1.038 8.263 -1.258 563 2HD2 LEU 79 2HD2 LEU 79 -2.592 7.443 -0.967 564 3HD2 LEU 79 3HD2 LEU 79 -2.145 8.849 0.010 565 H VAL 80 H VAL 80 -3.618 3.563 1.934 566 HA VAL 80 HA VAL 80 -5.316 4.315 4.189 567 HB VAL 80 HB VAL 80 -5.431 2.176 2.095 568 1HG1 VAL 80 1HG1 VAL 80 -7.681 3.967 3.205 569 2HG1 VAL 80 2HG1 VAL 80 -6.574 4.489 1.928 570 3HG1 VAL 80 3HG1 VAL 80 -7.641 3.093 1.651 571 1HG2 VAL 80 1HG2 VAL 80 -7.273 0.906 3.094 572 2HG2 VAL 80 2HG2 VAL 80 -5.914 0.837 4.240 573 3HG2 VAL 80 3HG2 VAL 80 -7.275 1.923 4.556 574 H MET 81 H MET 81 -2.858 1.836 3.697 575 HA MET 81 HA MET 81 -3.369 0.249 6.135 576 1HB MET 81 1HB MET 81 -0.797 0.357 4.451 577 2HB MET 81 2HB MET 81 -1.173 -0.839 5.678 578 1HG MET 81 1HG MET 81 -2.932 -0.456 3.175 579 2HG MET 81 2HG MET 81 -3.003 -1.788 4.340 580 1HE MET 81 1HE MET 81 -2.364 -3.898 2.206 581 2HE MET 81 2HE MET 81 -0.847 -4.381 3.020 582 3HE MET 81 3HE MET 81 -2.237 -3.811 3.991 583 H MET 82 H MET 82 -0.873 2.652 5.256 584 HA MET 82 HA MET 82 0.696 2.666 7.658 585 1HB MET 82 1HB MET 82 1.461 4.954 7.045 586 2HB MET 82 2HB MET 82 0.137 5.127 5.907 587 1HG MET 82 1HG MET 82 2.173 4.590 4.653 588 2HG MET 82 2HG MET 82 1.079 3.203 4.529 589 1HE MET 82 1HE MET 82 3.297 4.031 7.956 590 2HE MET 82 2HE MET 82 4.846 3.453 7.274 591 3HE MET 82 3HE MET 82 3.998 4.831 6.514 592 H VAL 83 H VAL 83 -2.085 4.749 6.821 593 HA VAL 83 HA VAL 83 -2.293 6.266 9.273 594 HB VAL 83 HB VAL 83 -4.515 5.500 7.316 595 1HG1 VAL 83 1HG1 VAL 83 -3.074 8.209 7.612 596 2HG1 VAL 83 2HG1 VAL 83 -2.591 6.979 6.436 597 3HG1 VAL 83 3HG1 VAL 83 -4.209 7.710 6.332 598 1HG2 VAL 83 1HG2 VAL 83 -5.961 7.217 8.280 599 2HG2 VAL 83 2HG2 VAL 83 -5.465 6.166 9.627 600 3HG2 VAL 83 3HG2 VAL 83 -4.700 7.748 9.422 601 NH1 ARG 84 NH1 ARG 84 -9.395 -1.758 7.851 602 NH2 ARG 84 NH2 ARG 84 -9.720 -0.334 6.111 603 H ARG 84 H ARG 84 -3.855 3.196 8.321 604 HA ARG 84 HA ARG 84 -5.467 2.620 10.667 605 1HB ARG 84 1HB ARG 84 -4.806 0.094 9.993 606 2HB ARG 84 2HB ARG 84 -4.134 0.875 8.568 607 1HG ARG 84 1HG ARG 84 -6.972 1.643 9.338 608 2HG ARG 84 2HG ARG 84 -6.218 1.599 7.743 609 1HD ARG 84 1HD ARG 84 -6.067 -1.102 8.436 610 2HD ARG 84 2HD ARG 84 -7.537 -0.638 9.289 611 HE ARG 84 HE ARG 84 -7.210 -0.097 6.293 612 1HH1 ARG 84 1HH1 ARG 84 -10.637 -0.785 6.016 613 2HH1 ARG 84 2HH1 ARG 84 -9.361 0.452 5.558 614 1HH2 ARG 84 1HH2 ARG 84 -8.796 -2.046 8.633 615 2HH2 ARG 84 2HH2 ARG 84 -10.326 -2.125 7.621 616 H GLN 85 H GLN 85 -2.005 2.281 10.067 617 HA GLN 85 HA GLN 85 -1.425 0.562 12.450 618 1HB GLN 85 1HB GLN 85 -0.046 1.155 10.068 619 2HB GLN 85 2HB GLN 85 0.878 2.034 11.274 620 1HG GLN 85 1HG GLN 85 1.356 0.018 12.559 621 2HG GLN 85 2HG GLN 85 1.782 -0.263 10.884 622 1HE2 GLN 85 1HE2 GLN 85 -0.599 -2.947 10.489 623 2HE2 GLN 85 2HE2 GLN 85 0.707 -1.896 9.744 624 H MET 86 H MET 86 -1.339 3.982 11.612 625 HA MET 86 HA MET 86 0.311 4.988 13.825 626 1HB MET 86 1HB MET 86 -1.498 6.257 11.769 627 2HB MET 86 2HB MET 86 -1.233 7.180 13.238 628 1HG MET 86 1HG MET 86 1.387 6.256 12.414 629 2HG MET 86 2HG MET 86 0.563 6.830 10.956 630 1HE MET 86 1HE MET 86 3.123 9.401 12.500 631 2HE MET 86 2HE MET 86 2.868 8.020 11.393 632 3HE MET 86 3HE MET 86 2.291 9.648 10.932 633 H LYS 87 H LYS 87 -3.124 4.319 13.417 634 HA LYS 87 HA LYS 87 -4.094 5.566 15.938 635 1HB LYS 87 1HB LYS 87 -5.581 5.078 13.938 636 2HB LYS 87 2HB LYS 87 -5.443 3.362 14.259 637 1HG LYS 87 1HG LYS 87 -6.846 3.439 16.133 638 2HG LYS 87 2HG LYS 87 -6.403 5.079 16.563 639 1HD LYS 87 1HD LYS 87 -7.754 5.827 14.411 640 2HD LYS 87 2HD LYS 87 -8.349 4.176 14.373 641 1HE LYS 87 1HE LYS 87 -9.516 4.378 16.481 642 2HE LYS 87 2HE LYS 87 -8.670 5.861 16.926 643 1HZ LYS 87 1HZ LYS 87 -10.933 5.496 15.124 644 2HZ LYS 87 2HZ LYS 87 -10.570 6.764 16.118 645 3HZ LYS 87 3HZ LYS 87 -9.834 6.633 14.645 646 H GLU 88 H GLU 88 -3.012 2.351 14.901 647 HA GLU 88 HA GLU 88 -2.254 0.426 16.119 648 1HB GLU 88 1HB GLU 88 -1.261 2.554 17.523 649 2HB GLU 88 2HB GLU 88 -2.269 1.848 18.771 650 1HG GLU 88 1HG GLU 88 -0.300 0.062 17.238 651 2HG GLU 88 2HG GLU 88 0.290 1.128 18.503 652 H ASP 89 H ASP 89 -4.010 -0.826 15.890 653 HA ASP 89 HA ASP 89 -6.138 -0.803 18.098 654 1HB ASP 89 1HB ASP 89 -7.684 -1.864 16.265 655 2HB ASP 89 2HB ASP 89 -6.537 -1.247 15.100 656 H ALA 90 H ALA 90 -7.244 -2.980 18.219 657 HA ALA 90 HA ALA 90 -5.462 -5.380 17.667 658 1HB ALA 90 1HB ALA 90 -5.996 -6.001 20.269 659 2HB ALA 90 2HB ALA 90 -4.529 -5.123 19.796 660 3HB ALA 90 3HB ALA 90 -5.923 -4.230 20.452 Start of MODEL 31 Raw file had 660 H/Q atoms Start of MODEL 31 1 1H ALA 1 1H ALA 1 -21.464 -2.165 8.485 2 2H ALA 1 2H ALA 1 -22.713 -1.196 7.912 3 3H ALA 1 3H ALA 1 -22.548 -2.773 7.352 4 HA ALA 1 HA ALA 1 -20.245 -2.069 6.586 5 1HB ALA 1 1HB ALA 1 -22.911 -1.372 5.236 6 2HB ALA 1 2HB ALA 1 -21.367 -1.108 4.402 7 3HB ALA 1 3HB ALA 1 -21.835 -2.752 4.908 8 H SER 2 H SER 2 -19.178 -0.215 5.669 9 HA SER 2 HA SER 2 -20.123 2.590 6.229 10 1HB SER 2 1HB SER 2 -19.215 1.666 8.459 11 2HB SER 2 2HB SER 2 -17.610 1.675 7.722 12 HG SER 2 HG SER 2 -17.725 3.618 8.526 13 H MET 3 H MET 3 -19.771 1.910 3.821 14 HA MET 3 HA MET 3 -16.917 2.607 2.920 15 1HB MET 3 1HB MET 3 -18.995 1.345 1.066 16 2HB MET 3 2HB MET 3 -18.057 0.347 2.164 17 1HG MET 3 1HG MET 3 -15.972 0.838 1.063 18 2HG MET 3 2HG MET 3 -16.617 2.284 0.271 19 1HE MET 3 1HE MET 3 -17.727 -2.122 -0.884 20 2HE MET 3 2HE MET 3 -16.463 -1.668 0.297 21 3HE MET 3 3HE MET 3 -18.187 -1.415 0.696 22 H THR 4 H THR 4 -17.902 4.736 3.735 23 HA THR 4 HA THR 4 -19.587 6.230 1.738 24 HB THR 4 HB THR 4 -18.143 7.464 4.127 25 HG1 THR 4 HG1 THR 4 -19.340 6.165 5.184 26 1HG2 THR 4 1HG2 THR 4 -19.966 9.124 4.135 27 2HG2 THR 4 2HG2 THR 4 -19.157 9.159 2.553 28 3HG2 THR 4 3HG2 THR 4 -20.747 8.371 2.728 29 H ASP 5 H ASP 5 -16.691 5.080 1.332 30 HA ASP 5 HA ASP 5 -15.029 5.650 -0.342 31 1HB ASP 5 1HB ASP 5 -15.758 8.595 -0.362 32 2HB ASP 5 2HB ASP 5 -15.071 7.602 -1.627 33 H GLN 6 H GLN 6 -14.434 5.250 2.162 34 HA GLN 6 HA GLN 6 -12.952 7.546 3.452 35 1HB GLN 6 1HB GLN 6 -12.303 5.533 5.095 36 2HB GLN 6 2HB GLN 6 -13.859 6.340 5.166 37 1HG GLN 6 1HG GLN 6 -13.658 3.875 3.397 38 2HG GLN 6 2HG GLN 6 -15.050 4.511 4.250 39 1HE2 GLN 6 1HE2 GLN 6 -13.404 1.417 5.977 40 2HE2 GLN 6 2HE2 GLN 6 -13.749 1.802 4.217 41 H GLN 7 H GLN 7 -12.103 6.429 0.794 42 HA GLN 7 HA GLN 7 -9.410 5.162 1.224 43 1HB GLN 7 1HB GLN 7 -9.168 5.105 -1.118 44 2HB GLN 7 2HB GLN 7 -10.882 4.835 -0.854 45 1HG GLN 7 1HG GLN 7 -11.240 7.378 -1.308 46 2HG GLN 7 2HG GLN 7 -9.571 7.437 -1.837 47 1HE2 GLN 7 1HE2 GLN 7 -12.447 5.881 -4.328 48 2HE2 GLN 7 2HE2 GLN 7 -12.796 6.682 -2.714 49 H ALA 8 H ALA 8 -10.742 8.363 0.384 50 HA ALA 8 HA ALA 8 -8.044 9.709 0.448 51 1HB ALA 8 1HB ALA 8 -9.610 11.807 0.030 52 2HB ALA 8 2HB ALA 8 -9.358 10.623 -1.266 53 3HB ALA 8 3HB ALA 8 -10.866 10.595 -0.317 54 H GLU 9 H GLU 9 -9.514 8.497 2.903 55 HA GLU 9 HA GLU 9 -9.888 10.843 4.744 56 1HB GLU 9 1HB GLU 9 -11.292 9.347 5.636 57 2HB GLU 9 2HB GLU 9 -10.549 7.990 4.812 58 1HG GLU 9 1HG GLU 9 -9.734 9.180 7.533 59 2HG GLU 9 2HG GLU 9 -8.703 8.047 6.677 60 H ALA 10 H ALA 10 -7.461 8.416 3.953 61 HA ALA 10 HA ALA 10 -5.687 8.850 6.294 62 1HB ALA 10 1HB ALA 10 -4.082 7.387 5.077 63 2HB ALA 10 2HB ALA 10 -5.709 6.680 5.101 64 3HB ALA 10 3HB ALA 10 -5.093 7.444 3.613 65 NH1 ARG 11 NH1 ARG 11 -4.786 15.832 -1.863 66 NH2 ARG 11 NH2 ARG 11 -6.848 15.204 -2.579 67 H ARG 11 H ARG 11 -5.733 9.918 2.902 68 HA ARG 11 HA ARG 11 -3.144 11.365 2.840 69 1HB ARG 11 1HB ARG 11 -4.162 10.688 0.726 70 2HB ARG 11 2HB ARG 11 -5.648 11.553 1.087 71 1HG ARG 11 1HG ARG 11 -3.125 13.229 1.027 72 2HG ARG 11 2HG ARG 11 -3.690 12.583 -0.515 73 1HD ARG 11 1HD ARG 11 -4.599 14.959 0.568 74 2HD ARG 11 2HD ARG 11 -5.820 13.871 1.223 75 HE ARG 11 HE ARG 11 -6.285 13.135 -1.226 76 1HH1 ARG 11 1HH1 ARG 11 -6.749 15.953 -3.273 77 2HH1 ARG 11 2HH1 ARG 11 -7.660 14.591 -2.448 78 1HH2 ARG 11 1HH2 ARG 11 -4.043 15.724 -1.163 79 2HH2 ARG 11 2HH2 ARG 11 -4.814 16.513 -2.631 80 H ALA 12 H ALA 12 -6.478 12.166 3.677 81 HA ALA 12 HA ALA 12 -6.347 15.072 3.821 82 1HB ALA 12 1HB ALA 12 -8.332 14.943 5.312 83 2HB ALA 12 2HB ALA 12 -8.502 13.856 3.919 84 3HB ALA 12 3HB ALA 12 -8.101 13.190 5.522 85 H PHE 13 H PHE 13 -5.327 12.534 6.043 86 HA PHE 13 HA PHE 13 -4.875 14.260 8.408 87 1HB PHE 13 1HB PHE 13 -3.869 11.414 7.813 88 2HB PHE 13 2HB PHE 13 -5.373 11.816 8.600 89 HD1 PHE 13 HD1 PHE 13 -4.792 13.754 10.685 90 HD2 PHE 13 HD2 PHE 13 -2.248 10.573 9.293 91 HE1 PHE 13 HE1 PHE 13 -3.578 13.772 12.826 92 HE2 PHE 13 HE2 PHE 13 -1.079 10.574 11.457 93 HZ PHE 13 HZ PHE 13 -1.753 12.155 13.233 94 H LEU 14 H LEU 14 -2.617 12.458 6.290 95 HA LEU 14 HA LEU 14 -0.172 13.837 7.221 96 1HB LEU 14 1HB LEU 14 0.054 11.595 6.343 97 2HB LEU 14 2HB LEU 14 0.979 12.690 5.339 98 HG LEU 14 HG LEU 14 -1.795 11.572 4.589 99 1HD1 LEU 14 1HD1 LEU 14 -1.335 12.476 2.305 100 2HD1 LEU 14 2HD1 LEU 14 -1.354 13.783 3.503 101 3HD1 LEU 14 3HD1 LEU 14 0.200 13.188 2.866 102 1HD2 LEU 14 1HD2 LEU 14 0.997 10.713 3.571 103 2HD2 LEU 14 2HD2 LEU 14 -0.094 9.742 4.591 104 3HD2 LEU 14 3HD2 LEU 14 -0.564 10.139 2.931 105 H SER 15 H SER 15 1.263 14.881 5.459 106 HA SER 15 HA SER 15 -0.256 17.292 4.415 107 1HB SER 15 1HB SER 15 2.311 18.061 4.091 108 2HB SER 15 2HB SER 15 2.600 16.786 5.278 109 HG SER 15 HG SER 15 0.472 18.554 5.711 110 H GLU 16 H GLU 16 1.208 18.250 2.442 111 HA GLU 16 HA GLU 16 0.649 16.402 0.131 112 1HB GLU 16 1HB GLU 16 1.640 18.667 -1.067 113 2HB GLU 16 2HB GLU 16 1.082 19.356 0.444 114 1HG GLU 16 1HG GLU 16 -1.223 18.172 -0.050 115 2HG GLU 16 2HG GLU 16 -0.798 19.612 -0.959 116 H GLU 17 H GLU 17 3.356 17.885 1.806 117 HA GLU 17 HA GLU 17 5.434 17.160 -0.228 118 1HB GLU 17 1HB GLU 17 6.103 17.996 2.624 119 2HB GLU 17 2HB GLU 17 7.078 18.153 1.176 120 1HG GLU 17 1HG GLU 17 4.455 19.659 1.107 121 2HG GLU 17 2HG GLU 17 6.031 20.126 0.492 122 H MET 18 H MET 18 4.162 15.877 2.796 123 HA MET 18 HA MET 18 6.188 13.847 3.374 124 1HB MET 18 1HB MET 18 3.240 14.043 4.198 125 2HB MET 18 2HB MET 18 4.657 14.486 5.134 126 1HG MET 18 1HG MET 18 3.380 11.808 4.805 127 2HG MET 18 2HG MET 18 5.141 11.753 4.625 128 1HE MET 18 1HE MET 18 5.122 10.207 7.342 129 2HE MET 18 2HE MET 18 6.342 11.003 6.305 130 3HE MET 18 3HE MET 18 6.278 11.377 8.052 131 H ILE 19 H ILE 19 3.305 13.910 1.346 132 HA ILE 19 HA ILE 19 3.034 11.071 0.715 133 HB ILE 19 HB ILE 19 2.249 13.482 -1.002 134 1HG1 ILE 19 1HG1 ILE 19 1.115 12.840 1.430 135 2HG1 ILE 19 2HG1 ILE 19 0.253 13.621 0.123 136 1HG2 ILE 19 1HG2 ILE 19 0.791 11.918 -2.306 137 2HG2 ILE 19 2HG2 ILE 19 2.480 11.434 -2.444 138 3HG2 ILE 19 3HG2 ILE 19 1.394 10.532 -1.363 139 1HD1 ILE 19 1HD1 ILE 19 0.127 10.606 0.714 140 2HD1 ILE 19 2HD1 ILE 19 -1.141 11.821 0.975 141 3HD1 ILE 19 3HD1 ILE 19 -0.648 11.403 -0.683 142 H ALA 20 H ALA 20 4.928 13.704 -0.748 143 HA ALA 20 HA ALA 20 5.966 12.385 -3.093 144 1HB ALA 20 1HB ALA 20 7.756 14.336 -1.615 145 2HB ALA 20 2HB ALA 20 7.372 14.229 -3.344 146 3HB ALA 20 3HB ALA 20 6.182 14.917 -2.209 147 H GLU 21 H GLU 21 6.962 12.254 0.284 148 HA GLU 21 HA GLU 21 9.608 10.993 -0.122 149 1HB GLU 21 1HB GLU 21 9.406 10.485 2.414 150 2HB GLU 21 2HB GLU 21 7.884 11.352 2.376 151 1HG GLU 21 1HG GLU 21 8.921 13.463 1.984 152 2HG GLU 21 2HG GLU 21 10.355 12.757 1.258 153 H PHE 22 H PHE 22 6.328 9.862 0.501 154 HA PHE 22 HA PHE 22 6.911 7.031 1.092 155 1HB PHE 22 1HB PHE 22 4.379 8.494 0.191 156 2HB PHE 22 2HB PHE 22 4.402 6.751 0.264 157 HD1 PHE 22 HD1 PHE 22 2.771 8.884 1.972 158 HD2 PHE 22 HD2 PHE 22 6.319 6.590 2.800 159 HE1 PHE 22 HE1 PHE 22 2.312 9.025 4.384 160 HE2 PHE 22 HE2 PHE 22 5.825 6.716 5.207 161 HZ PHE 22 HZ PHE 22 3.835 7.946 6.005 162 H LYS 23 H LYS 23 6.381 8.937 -1.820 163 HA LYS 23 HA LYS 23 5.997 6.890 -3.827 164 1HB LYS 23 1HB LYS 23 6.893 8.536 -5.501 165 2HB LYS 23 2HB LYS 23 7.471 9.569 -4.211 166 1HG LYS 23 1HG LYS 23 4.534 8.882 -4.816 167 2HG LYS 23 2HG LYS 23 5.032 9.801 -3.409 168 1HD LYS 23 1HD LYS 23 5.039 11.740 -4.623 169 2HD LYS 23 2HD LYS 23 6.253 11.073 -5.703 170 1HE LYS 23 1HE LYS 23 3.330 10.295 -6.144 171 2HE LYS 23 2HE LYS 23 3.897 11.873 -6.695 172 1HZ LYS 23 1HZ LYS 23 4.045 9.929 -8.308 173 2HZ LYS 23 2HZ LYS 23 5.408 10.854 -8.172 174 3HZ LYS 23 3HZ LYS 23 5.334 9.377 -7.433 175 H ALA 24 H ALA 24 8.990 8.368 -2.566 176 HA ALA 24 HA ALA 24 10.977 7.218 -4.270 177 1HB ALA 24 1HB ALA 24 12.597 7.583 -2.418 178 2HB ALA 24 2HB ALA 24 11.502 8.966 -2.591 179 3HB ALA 24 3HB ALA 24 11.269 7.810 -1.256 180 H ALA 25 H ALA 25 9.545 5.869 -1.294 181 HA ALA 25 HA ALA 25 11.231 3.430 -1.198 182 1HB ALA 25 1HB ALA 25 9.731 2.722 0.657 183 2HB ALA 25 2HB ALA 25 10.270 4.399 0.870 184 3HB ALA 25 3HB ALA 25 8.613 4.062 0.307 185 H PHE 26 H PHE 26 8.026 4.257 -2.428 186 HA PHE 26 HA PHE 26 6.975 1.602 -2.972 187 1HB PHE 26 1HB PHE 26 5.685 3.825 -2.977 188 2HB PHE 26 2HB PHE 26 6.320 4.149 -4.569 189 HD1 PHE 26 HD1 PHE 26 5.826 0.586 -4.228 190 HD2 PHE 26 HD2 PHE 26 3.646 4.238 -4.869 191 HE1 PHE 26 HE1 PHE 26 4.002 -0.678 -5.294 192 HE2 PHE 26 HE2 PHE 26 1.821 2.955 -5.910 193 HZ PHE 26 HZ PHE 26 1.979 0.497 -6.094 194 H ASP 27 H ASP 27 9.165 3.715 -4.745 195 HA ASP 27 HA ASP 27 9.049 2.313 -7.343 196 1HB ASP 27 1HB ASP 27 10.828 4.507 -6.222 197 2HB ASP 27 2HB ASP 27 9.701 4.555 -7.558 198 H MET 28 H MET 28 10.926 1.952 -4.415 199 HA MET 28 HA MET 28 13.311 0.626 -5.218 200 1HB MET 28 1HB MET 28 11.647 0.449 -2.711 201 2HB MET 28 2HB MET 28 12.761 -0.878 -2.983 202 1HG MET 28 1HG MET 28 13.634 2.082 -2.986 203 2HG MET 28 2HG MET 28 13.715 1.013 -1.576 204 1HE MET 28 1HE MET 28 17.181 -0.054 -1.748 205 2HE MET 28 2HE MET 28 16.834 1.694 -1.898 206 3HE MET 28 3HE MET 28 15.784 0.662 -0.885 207 H PHE 29 H PHE 29 10.026 -0.639 -5.049 208 HA PHE 29 HA PHE 29 10.879 -3.430 -5.940 209 1HB PHE 29 1HB PHE 29 8.002 -2.513 -5.338 210 2HB PHE 29 2HB PHE 29 8.576 -4.145 -5.543 211 HD1 PHE 29 HD1 PHE 29 9.576 -5.410 -3.722 212 HD2 PHE 29 HD2 PHE 29 8.743 -1.220 -3.185 213 HE1 PHE 29 HE1 PHE 29 9.921 -5.639 -1.296 214 HE2 PHE 29 HE2 PHE 29 9.099 -1.472 -0.764 215 HZ PHE 29 HZ PHE 29 9.687 -3.674 0.184 216 H ASP 30 H ASP 30 8.877 -0.659 -6.922 217 HA ASP 30 HA ASP 30 8.417 -1.832 -9.682 218 1HB ASP 30 1HB ASP 30 6.566 -0.638 -8.237 219 2HB ASP 30 2HB ASP 30 7.314 0.858 -8.746 220 H ALA 31 H ALA 31 10.341 -1.699 -10.690 221 HA ALA 31 HA ALA 31 12.190 0.618 -10.596 222 1HB ALA 31 1HB ALA 31 13.505 -0.650 -12.300 223 2HB ALA 31 2HB ALA 31 13.035 -1.682 -10.935 224 3HB ALA 31 3HB ALA 31 12.181 -1.823 -12.494 225 H ASP 32 H ASP 32 9.560 -0.420 -12.659 226 HA ASP 32 HA ASP 32 10.240 1.269 -15.023 227 1HB ASP 32 1HB ASP 32 7.394 0.282 -14.645 228 2HB ASP 32 2HB ASP 32 8.657 -0.904 -14.881 229 H GLY 33 H GLY 33 7.843 1.465 -12.381 230 1HA GLY 33 1HA GLY 33 7.485 3.590 -11.073 231 2HA GLY 33 2HA GLY 33 8.008 4.506 -12.489 232 H GLY 34 H GLY 34 5.681 1.821 -12.424 233 1HA GLY 34 1HA GLY 34 3.440 1.715 -13.433 234 2HA GLY 34 2HA GLY 34 3.597 3.417 -13.879 235 H GLY 35 H GLY 35 3.251 1.329 -11.015 236 1HA GLY 35 1HA GLY 35 2.629 2.948 -8.839 237 2HA GLY 35 2HA GLY 35 1.181 3.198 -9.819 238 H ASP 36 H ASP 36 3.163 0.284 -9.315 239 HA ASP 36 HA ASP 36 1.178 -1.052 -7.537 240 1HB ASP 36 1HB ASP 36 1.162 -3.096 -9.377 241 2HB ASP 36 2HB ASP 36 1.170 -1.732 -10.471 242 H ILE 37 H ILE 37 2.063 -2.772 -6.486 243 HA ILE 37 HA ILE 37 4.833 -3.821 -7.233 244 HB ILE 37 HB ILE 37 5.606 -3.593 -4.850 245 1HG1 ILE 37 1HG1 ILE 37 3.075 -1.880 -4.566 246 2HG1 ILE 37 2HG1 ILE 37 4.510 -1.449 -3.660 247 1HG2 ILE 37 1HG2 ILE 37 6.446 -1.260 -5.144 248 2HG2 ILE 37 2HG2 ILE 37 6.454 -2.110 -6.695 249 3HG2 ILE 37 3HG2 ILE 37 5.180 -0.917 -6.348 250 1HD1 ILE 37 1HD1 ILE 37 4.557 -3.618 -2.466 251 2HD1 ILE 37 2HD1 ILE 37 2.965 -2.846 -2.301 252 3HD1 ILE 37 3HD1 ILE 37 3.174 -4.207 -3.427 253 H SER 38 H SER 38 5.288 -5.528 -5.283 254 HA SER 38 HA SER 38 3.053 -7.547 -5.390 255 1HB SER 38 1HB SER 38 5.709 -7.908 -5.587 256 2HB SER 38 2HB SER 38 5.599 -8.067 -3.832 257 HG SER 38 HG SER 38 3.629 -9.462 -4.570 258 H THR 39 H THR 39 1.860 -8.218 -3.706 259 HA THR 39 HA THR 39 1.465 -6.411 -1.367 260 HB THR 39 HB THR 39 -0.357 -7.753 -2.686 261 HG1 THR 39 HG1 THR 39 -1.413 -6.868 -1.199 262 1HG2 THR 39 1HG2 THR 39 -1.156 -9.824 -1.636 263 2HG2 THR 39 2HG2 THR 39 0.502 -10.089 -2.224 264 3HG2 THR 39 3HG2 THR 39 0.199 -9.837 -0.484 265 H LYS 40 H LYS 40 3.025 -9.488 -2.016 266 HA LYS 40 HA LYS 40 3.183 -10.736 0.549 267 1HB LYS 40 1HB LYS 40 4.362 -11.189 -1.976 268 2HB LYS 40 2HB LYS 40 5.758 -10.919 -0.955 269 1HG LYS 40 1HG LYS 40 5.214 -12.800 0.478 270 2HG LYS 40 2HG LYS 40 3.577 -12.916 -0.138 271 1HD LYS 40 1HD LYS 40 4.430 -14.651 -1.401 272 2HD LYS 40 2HD LYS 40 4.909 -13.354 -2.484 273 1HE LYS 40 1HE LYS 40 6.713 -14.748 -0.420 274 2HE LYS 40 2HE LYS 40 7.204 -13.274 -1.256 275 1HZ LYS 40 1HZ LYS 40 6.777 -15.970 -2.369 276 2HZ LYS 40 2HZ LYS 40 6.585 -14.669 -3.369 277 3HZ LYS 40 3HZ LYS 40 8.032 -14.923 -2.612 278 H GLU 41 H GLU 41 5.346 -8.274 -0.858 279 HA GLU 41 HA GLU 41 6.898 -8.048 1.747 280 1HB GLU 41 1HB GLU 41 7.795 -8.188 -0.856 281 2HB GLU 41 2HB GLU 41 7.798 -6.449 -0.625 282 1HG GLU 41 1HG GLU 41 9.046 -7.784 1.709 283 2HG GLU 41 2HG GLU 41 9.682 -6.514 0.678 284 H LEU 42 H LEU 42 4.553 -6.345 -0.178 285 HA LEU 42 HA LEU 42 4.854 -3.624 0.262 286 1HB LEU 42 1HB LEU 42 2.570 -5.398 -0.211 287 2HB LEU 42 2HB LEU 42 2.877 -3.784 -0.819 288 HG LEU 42 HG LEU 42 2.005 -2.934 1.535 289 1HD1 LEU 42 1HD1 LEU 42 -0.367 -2.968 0.713 290 2HD1 LEU 42 2HD1 LEU 42 0.758 -2.556 -0.590 291 3HD1 LEU 42 3HD1 LEU 42 0.059 -4.192 -0.511 292 1HD2 LEU 42 1HD2 LEU 42 0.784 -5.777 1.551 293 2HD2 LEU 42 2HD2 LEU 42 1.977 -5.144 2.712 294 3HD2 LEU 42 3HD2 LEU 42 0.350 -4.444 2.652 295 H GLY 43 H GLY 43 3.999 -6.029 2.687 296 1HA GLY 43 1HA GLY 43 3.655 -5.852 5.113 297 2HA GLY 43 2HA GLY 43 3.331 -4.132 4.875 298 H THR 44 H THR 44 6.183 -6.199 4.198 299 HA THR 44 HA THR 44 7.950 -5.364 6.216 300 HB THR 44 HB THR 44 8.525 -6.316 3.397 301 HG1 THR 44 HG1 THR 44 7.981 -7.888 4.716 302 1HG2 THR 44 1HG2 THR 44 10.951 -6.537 3.953 303 2HG2 THR 44 2HG2 THR 44 10.469 -4.831 3.851 304 3HG2 THR 44 3HG2 THR 44 10.710 -5.593 5.444 305 H VAL 45 H VAL 45 6.934 -3.612 3.365 306 HA VAL 45 HA VAL 45 9.038 -1.461 3.573 307 HB VAL 45 HB VAL 45 8.593 -1.694 1.353 308 1HG1 VAL 45 1HG1 VAL 45 6.430 0.421 1.946 309 2HG1 VAL 45 2HG1 VAL 45 8.164 0.749 2.055 310 3HG1 VAL 45 3HG1 VAL 45 7.455 0.281 0.493 311 1HG2 VAL 45 1HG2 VAL 45 6.500 -2.187 0.209 312 2HG2 VAL 45 2HG2 VAL 45 6.579 -3.298 1.596 313 3HG2 VAL 45 3HG2 VAL 45 5.530 -1.874 1.672 314 H MET 46 H MET 46 5.637 -2.046 4.344 315 HA MET 46 HA MET 46 4.913 0.659 5.238 316 1HB MET 46 1HB MET 46 3.110 -0.775 6.634 317 2HB MET 46 2HB MET 46 3.679 -2.091 5.621 318 1HG MET 46 1HG MET 46 2.814 -1.142 3.622 319 2HG MET 46 2HG MET 46 2.872 0.514 4.247 320 1HE MET 46 1HE MET 46 0.819 -3.018 4.479 321 2HE MET 46 2HE MET 46 1.639 -2.757 6.046 322 3HE MET 46 3HE MET 46 -0.142 -2.649 5.945 323 NH1 ARG 47 NH1 ARG 47 3.329 -6.403 9.541 324 NH2 ARG 47 NH2 ARG 47 1.925 -5.831 11.233 325 H ARG 47 H ARG 47 6.795 -1.869 6.700 326 HA ARG 47 HA ARG 47 6.548 -0.627 9.504 327 1HB ARG 47 1HB ARG 47 6.738 -3.476 8.546 328 2HB ARG 47 2HB ARG 47 7.752 -3.080 9.926 329 1HG ARG 47 1HG ARG 47 5.969 -3.374 11.277 330 2HG ARG 47 2HG ARG 47 5.284 -1.882 10.630 331 1HD ARG 47 1HD ARG 47 3.788 -2.991 9.188 332 2HD ARG 47 2HD ARG 47 4.846 -4.381 8.954 333 HE ARG 47 HE ARG 47 3.688 -4.125 11.729 334 1HH1 ARG 47 1HH1 ARG 47 2.717 -7.217 9.414 335 2HH1 ARG 47 2HH1 ARG 47 4.166 -6.173 8.995 336 1HH2 ARG 47 1HH2 ARG 47 1.660 -5.139 11.943 337 2HH2 ARG 47 2HH2 ARG 47 1.441 -6.711 11.022 338 H MET 48 H MET 48 8.696 -1.553 6.898 339 HA MET 48 HA MET 48 11.239 -1.715 8.266 340 1HB MET 48 1HB MET 48 10.468 -1.163 5.392 341 2HB MET 48 2HB MET 48 11.457 -2.445 6.068 342 1HG MET 48 1HG MET 48 13.284 -0.591 6.508 343 2HG MET 48 2HG MET 48 12.311 0.435 5.442 344 1HE MET 48 1HE MET 48 15.188 -0.046 3.699 345 2HE MET 48 2HE MET 48 15.221 -0.597 5.400 346 3HE MET 48 3HE MET 48 15.664 -1.729 4.089 347 H LEU 49 H LEU 49 9.235 0.990 7.636 348 HA LEU 49 HA LEU 49 11.374 2.977 8.570 349 1HB LEU 49 1HB LEU 49 8.939 4.369 7.963 350 2HB LEU 49 2HB LEU 49 10.484 4.453 7.145 351 HG LEU 49 HG LEU 49 9.524 2.176 5.942 352 1HD1 LEU 49 1HD1 LEU 49 8.742 5.016 5.026 353 2HD1 LEU 49 2HD1 LEU 49 10.357 4.313 4.824 354 3HD1 LEU 49 3HD1 LEU 49 8.962 3.581 3.993 355 1HD2 LEU 49 1HD2 LEU 49 7.111 2.319 5.487 356 2HD2 LEU 49 2HD2 LEU 49 7.315 2.327 7.256 357 3HD2 LEU 49 3HD2 LEU 49 6.965 3.839 6.405 358 H GLY 50 H GLY 50 8.230 1.535 9.256 359 1HA GLY 50 1HA GLY 50 6.715 1.687 11.148 360 2HA GLY 50 2HA GLY 50 7.455 3.247 11.515 361 H GLN 51 H GLN 51 7.981 -0.249 11.791 362 HA GLN 51 HA GLN 51 9.724 0.097 14.282 363 1HB GLN 51 1HB GLN 51 7.349 -1.811 14.424 364 2HB GLN 51 2HB GLN 51 8.338 -1.157 15.718 365 1HG GLN 51 1HG GLN 51 7.226 0.938 15.747 366 2HG GLN 51 2HG GLN 51 6.653 0.802 14.097 367 1HE2 GLN 51 1HE2 GLN 51 3.519 0.065 15.775 368 2HE2 GLN 51 2HE2 GLN 51 4.507 1.275 14.812 369 H ASN 52 H ASN 52 9.382 -2.712 14.933 370 HA ASN 52 HA ASN 52 10.876 -4.009 12.613 371 1HB ASN 52 1HB ASN 52 12.304 -3.108 14.606 372 2HB ASN 52 2HB ASN 52 11.693 -4.461 15.533 373 1HD2 ASN 52 1HD2 ASN 52 14.980 -5.111 13.474 374 2HD2 ASN 52 2HD2 ASN 52 14.412 -3.688 14.483 375 HA PRO 53 HA PRO 53 7.411 -6.796 14.360 376 1HB PRO 53 1HB PRO 53 5.940 -7.325 12.117 377 2HB PRO 53 2HB PRO 53 5.923 -5.748 12.931 378 1HG PRO 53 1HG PRO 53 7.528 -6.534 10.447 379 2HG PRO 53 2HG PRO 53 6.510 -5.093 10.676 380 1HD PRO 53 1HD PRO 53 8.227 -3.975 11.898 381 2HD PRO 53 2HD PRO 53 9.298 -5.149 11.073 382 H THR 54 H THR 54 6.532 -8.982 12.834 383 HA THR 54 HA THR 54 9.054 -10.673 12.416 384 HB THR 54 HB THR 54 8.189 -12.491 13.514 385 HG1 THR 54 HG1 THR 54 5.765 -11.491 12.662 386 1HG2 THR 54 1HG2 THR 54 7.177 -11.847 15.678 387 2HG2 THR 54 2HG2 THR 54 8.450 -10.684 15.241 388 3HG2 THR 54 3HG2 THR 54 6.734 -10.244 15.044 389 H LYS 55 H LYS 55 8.570 -12.648 11.061 390 HA LYS 55 HA LYS 55 7.661 -11.685 8.381 391 1HB LYS 55 1HB LYS 55 8.343 -14.052 7.631 392 2HB LYS 55 2HB LYS 55 8.811 -14.395 9.283 393 1HG LYS 55 1HG LYS 55 10.643 -12.841 9.226 394 2HG LYS 55 2HG LYS 55 10.004 -11.972 7.845 395 1HD LYS 55 1HD LYS 55 11.880 -13.229 6.999 396 2HD LYS 55 2HD LYS 55 11.438 -14.662 7.913 397 1HE LYS 55 1HE LYS 55 9.686 -15.297 6.409 398 2HE LYS 55 2HE LYS 55 9.561 -13.692 5.688 399 1HZ LYS 55 1HZ LYS 55 11.729 -15.686 5.298 400 2HZ LYS 55 2HZ LYS 55 10.725 -15.034 4.160 401 3HZ LYS 55 3HZ LYS 55 11.913 -14.109 4.842 402 H GLU 56 H GLU 56 6.529 -13.864 10.912 403 HA GLU 56 HA GLU 56 4.454 -15.304 9.401 404 1HB GLU 56 1HB GLU 56 3.591 -16.077 11.547 405 2HB GLU 56 2HB GLU 56 4.461 -14.835 12.425 406 1HG GLU 56 1HG GLU 56 5.370 -17.373 12.257 407 2HG GLU 56 2HG GLU 56 6.464 -16.008 12.404 408 H GLU 57 H GLU 57 4.591 -12.261 11.158 409 HA GLU 57 HA GLU 57 1.705 -11.748 11.412 410 1HB GLU 57 1HB GLU 57 4.025 -9.748 11.459 411 2HB GLU 57 2HB GLU 57 2.361 -9.339 11.825 412 1HG GLU 57 1HG GLU 57 4.020 -11.410 13.406 413 2HG GLU 57 2HG GLU 57 2.382 -10.911 13.795 414 H LEU 58 H LEU 58 4.125 -11.093 8.935 415 HA LEU 58 HA LEU 58 2.561 -9.279 7.201 416 1HB LEU 58 1HB LEU 58 4.957 -9.337 6.898 417 2HB LEU 58 2HB LEU 58 4.986 -11.076 6.693 418 HG LEU 58 HG LEU 58 5.244 -9.441 4.602 419 1HD1 LEU 58 1HD1 LEU 58 4.334 -11.229 3.085 420 2HD1 LEU 58 2HD1 LEU 58 5.288 -11.924 4.404 421 3HD1 LEU 58 3HD1 LEU 58 3.510 -11.996 4.466 422 1HD2 LEU 58 1HD2 LEU 58 2.162 -9.676 4.721 423 2HD2 LEU 58 2HD2 LEU 58 3.100 -8.175 4.917 424 3HD2 LEU 58 3HD2 LEU 58 3.113 -9.026 3.361 425 H ASP 59 H ASP 59 2.890 -12.768 7.566 426 HA ASP 59 HA ASP 59 1.364 -13.694 5.268 427 1HB ASP 59 1HB ASP 59 1.446 -15.127 7.980 428 2HB ASP 59 2HB ASP 59 1.049 -15.825 6.427 429 H ALA 60 H ALA 60 0.392 -12.665 8.521 430 HA ALA 60 HA ALA 60 -2.438 -13.313 8.435 431 1HB ALA 60 1HB ALA 60 -2.694 -11.680 10.297 432 2HB ALA 60 2HB ALA 60 -1.283 -12.727 10.543 433 3HB ALA 60 3HB ALA 60 -1.058 -11.043 10.006 434 H ILE 61 H ILE 61 -0.934 -10.083 8.027 435 HA ILE 61 HA ILE 61 -3.117 -8.565 7.097 436 HB ILE 61 HB ILE 61 -0.180 -8.265 6.324 437 1HG1 ILE 61 1HG1 ILE 61 -1.141 -7.828 8.800 438 2HG1 ILE 61 2HG1 ILE 61 -1.769 -6.347 8.111 439 1HG2 ILE 61 1HG2 ILE 61 -0.715 -5.981 5.434 440 2HG2 ILE 61 2HG2 ILE 61 -1.543 -7.224 4.497 441 3HG2 ILE 61 3HG2 ILE 61 -2.454 -6.269 5.690 442 1HD1 ILE 61 1HD1 ILE 61 0.490 -5.533 7.493 443 2HD1 ILE 61 2HD1 ILE 61 0.428 -5.972 9.213 444 3HD1 ILE 61 3HD1 ILE 61 1.219 -7.063 8.052 445 H ILE 62 H ILE 62 -1.046 -10.857 5.402 446 HA ILE 62 HA ILE 62 -1.690 -10.295 2.619 447 HB ILE 62 HB ILE 62 -0.066 -12.161 3.911 448 1HG1 ILE 62 1HG1 ILE 62 0.082 -10.927 1.530 449 2HG1 ILE 62 2HG1 ILE 62 1.007 -12.377 1.854 450 1HG2 ILE 62 1HG2 ILE 62 -0.665 -14.422 3.006 451 2HG2 ILE 62 2HG2 ILE 62 -1.926 -13.841 4.091 452 3HG2 ILE 62 3HG2 ILE 62 -2.181 -13.772 2.333 453 1HD1 ILE 62 1HD1 ILE 62 -1.613 -12.325 0.244 454 2HD1 ILE 62 2HD1 ILE 62 0.035 -12.583 -0.365 455 3HD1 ILE 62 3HD1 ILE 62 -0.718 -13.805 0.686 456 H GLU 63 H GLU 63 -3.155 -12.602 4.925 457 HA GLU 63 HA GLU 63 -5.166 -13.798 3.307 458 1HB GLU 63 1HB GLU 63 -5.262 -13.146 6.292 459 2HB GLU 63 2HB GLU 63 -4.736 -14.636 5.534 460 1HG GLU 63 1HG GLU 63 -7.222 -14.288 6.638 461 2HG GLU 63 2HG GLU 63 -7.607 -13.780 5.002 462 H GLU 64 H GLU 64 -5.209 -10.665 4.947 463 HA GLU 64 HA GLU 64 -8.056 -10.036 4.476 464 1HB GLU 64 1HB GLU 64 -7.130 -8.932 6.325 465 2HB GLU 64 2HB GLU 64 -5.681 -8.435 5.474 466 1HG GLU 64 1HG GLU 64 -8.286 -7.254 4.452 467 2HG GLU 64 2HG GLU 64 -7.787 -6.758 6.061 468 H VAL 65 H VAL 65 -5.011 -9.243 2.839 469 HA VAL 65 HA VAL 65 -6.006 -7.238 0.961 470 HB VAL 65 HB VAL 65 -3.531 -9.020 0.839 471 1HG1 VAL 65 1HG1 VAL 65 -2.703 -7.658 -1.089 472 2HG1 VAL 65 2HG1 VAL 65 -4.180 -8.537 -1.526 473 3HG1 VAL 65 3HG1 VAL 65 -4.257 -6.792 -1.182 474 1HG2 VAL 65 1HG2 VAL 65 -3.815 -5.982 1.373 475 2HG2 VAL 65 2HG2 VAL 65 -3.420 -7.230 2.579 476 3HG2 VAL 65 3HG2 VAL 65 -2.282 -6.883 1.270 477 H ASP 66 H ASP 66 -5.852 -10.770 0.917 478 HA ASP 66 HA ASP 66 -6.906 -10.916 -1.933 479 1HB ASP 66 1HB ASP 66 -4.916 -12.388 -0.982 480 2HB ASP 66 2HB ASP 66 -6.178 -13.371 -0.276 481 H GLU 67 H GLU 67 -8.625 -9.807 -0.127 482 HA GLU 67 HA GLU 67 -10.716 -11.829 0.682 483 1HB GLU 67 1HB GLU 67 -10.575 -8.790 0.908 484 2HB GLU 67 2HB GLU 67 -12.079 -9.648 1.175 485 1HG GLU 67 1HG GLU 67 -9.553 -10.445 2.735 486 2HG GLU 67 2HG GLU 67 -10.502 -9.052 3.226 487 H ASP 68 H ASP 68 -10.697 -8.927 -1.419 488 HA ASP 68 HA ASP 68 -11.862 -10.429 -3.747 489 1HB ASP 68 1HB ASP 68 -13.563 -8.124 -2.655 490 2HB ASP 68 2HB ASP 68 -13.857 -9.790 -2.215 491 H GLY 69 H GLY 69 -10.450 -9.796 -5.200 492 1HA GLY 69 1HA GLY 69 -10.365 -7.335 -6.588 493 2HA GLY 69 2HA GLY 69 -9.217 -7.049 -5.276 494 H SER 70 H SER 70 -7.854 -6.809 -7.259 495 HA SER 70 HA SER 70 -6.944 -9.172 -8.813 496 1HB SER 70 1HB SER 70 -6.871 -6.695 -9.547 497 2HB SER 70 2HB SER 70 -5.487 -7.713 -9.953 498 HG SER 70 HG SER 70 -5.191 -5.546 -8.926 499 H GLY 71 H GLY 71 -4.356 -9.350 -8.836 500 1HA GLY 71 1HA GLY 71 -2.842 -10.904 -7.563 501 2HA GLY 71 2HA GLY 71 -3.587 -10.343 -6.062 502 H THR 72 H THR 72 -3.496 -7.526 -6.802 503 HA THR 72 HA THR 72 -0.695 -6.866 -5.975 504 HB THR 72 HB THR 72 -0.552 -5.124 -7.963 505 HG1 THR 72 HG1 THR 72 -2.002 -7.250 -9.119 506 1HG2 THR 72 1HG2 THR 72 1.099 -6.376 -8.999 507 2HG2 THR 72 2HG2 THR 72 0.965 -7.342 -7.513 508 3HG2 THR 72 3HG2 THR 72 0.153 -7.881 -9.006 509 H ILE 73 H ILE 73 -0.485 -4.426 -5.754 510 HA ILE 73 HA ILE 73 -3.087 -3.082 -5.047 511 HB ILE 73 HB ILE 73 -2.103 -4.431 -3.032 512 1HG1 ILE 73 1HG1 ILE 73 -3.003 -1.555 -2.465 513 2HG1 ILE 73 2HG1 ILE 73 -4.078 -2.757 -3.155 514 1HG2 ILE 73 1HG2 ILE 73 -0.589 -3.247 -1.485 515 2HG2 ILE 73 2HG2 ILE 73 0.234 -3.462 -3.037 516 3HG2 ILE 73 3HG2 ILE 73 -0.433 -1.870 -2.600 517 1HD1 ILE 73 1HD1 ILE 73 -4.297 -3.977 -1.166 518 2HD1 ILE 73 2HD1 ILE 73 -2.654 -3.587 -0.614 519 3HD1 ILE 73 3HD1 ILE 73 -3.944 -2.368 -0.478 520 H ASP 74 H ASP 74 -2.914 -0.807 -4.821 521 HA ASP 74 HA ASP 74 -0.575 0.374 -6.406 522 1HB ASP 74 1HB ASP 74 -1.929 1.681 -7.592 523 2HB ASP 74 2HB ASP 74 -2.828 2.180 -6.190 524 H PHE 75 H PHE 75 -0.964 3.012 -5.885 525 HA PHE 75 HA PHE 75 0.490 3.223 -3.290 526 1HB PHE 75 1HB PHE 75 -0.174 5.581 -5.132 527 2HB PHE 75 2HB PHE 75 1.064 4.427 -5.561 528 HD1 PHE 75 HD1 PHE 75 3.056 5.795 -5.357 529 HD2 PHE 75 HD2 PHE 75 0.322 5.603 -2.039 530 HE1 PHE 75 HE1 PHE 75 4.537 7.253 -4.038 531 HE2 PHE 75 HE2 PHE 75 1.814 7.068 -0.739 532 HZ PHE 75 HZ PHE 75 3.932 7.871 -1.722 533 H GLU 76 H GLU 76 -2.608 4.157 -4.676 534 HA GLU 76 HA GLU 76 -3.474 6.101 -2.645 535 1HB GLU 76 1HB GLU 76 -5.048 4.504 -4.720 536 2HB GLU 76 2HB GLU 76 -5.838 5.575 -3.581 537 1HG GLU 76 1HG GLU 76 -3.601 6.560 -5.460 538 2HG GLU 76 2HG GLU 76 -5.285 6.506 -5.953 539 H GLU 77 H GLU 77 -4.189 2.650 -3.178 540 HA GLU 77 HA GLU 77 -5.666 2.161 -0.658 541 1HB GLU 77 1HB GLU 77 -5.013 -0.311 -1.121 542 2HB GLU 77 2HB GLU 77 -4.286 0.259 -2.610 543 1HG GLU 77 1HG GLU 77 -7.247 0.775 -1.913 544 2HG GLU 77 2HG GLU 77 -6.470 1.062 -3.460 545 H PHE 78 H PHE 78 -2.295 2.239 -1.632 546 HA PHE 78 HA PHE 78 -1.091 0.777 0.585 547 1HB PHE 78 1HB PHE 78 0.363 1.000 -1.219 548 2HB PHE 78 2HB PHE 78 -0.058 2.661 -1.544 549 HD1 PHE 78 HD1 PHE 78 0.707 4.377 0.523 550 HD2 PHE 78 HD2 PHE 78 2.529 0.591 -0.404 551 HE1 PHE 78 HE1 PHE 78 2.697 5.002 1.831 552 HE2 PHE 78 HE2 PHE 78 4.546 1.271 0.829 553 HZ PHE 78 HZ PHE 78 4.637 3.473 1.945 554 H LEU 79 H LEU 79 -2.096 4.125 0.166 555 HA LEU 79 HA LEU 79 -0.885 5.180 2.704 556 1HB LEU 79 1HB LEU 79 -3.017 6.418 0.864 557 2HB LEU 79 2HB LEU 79 -2.294 7.223 2.239 558 HG LEU 79 HG LEU 79 -0.921 6.424 -0.390 559 1HD1 LEU 79 1HD1 LEU 79 0.523 7.583 2.078 560 2HD1 LEU 79 2HD1 LEU 79 0.623 5.887 1.569 561 3HD1 LEU 79 3HD1 LEU 79 1.254 7.170 0.506 562 1HD2 LEU 79 1HD2 LEU 79 -0.508 8.831 -0.668 563 2HD2 LEU 79 2HD2 LEU 79 -2.234 8.637 -0.270 564 3HD2 LEU 79 3HD2 LEU 79 -1.101 9.187 0.974 565 H VAL 80 H VAL 80 -3.937 3.854 1.551 566 HA VAL 80 HA VAL 80 -5.670 4.600 3.777 567 HB VAL 80 HB VAL 80 -5.922 2.357 1.724 568 1HG1 VAL 80 1HG1 VAL 80 -7.638 4.897 2.040 569 2HG1 VAL 80 2HG1 VAL 80 -6.220 4.816 0.985 570 3HG1 VAL 80 3HG1 VAL 80 -7.612 3.755 0.671 571 1HG2 VAL 80 1HG2 VAL 80 -8.216 1.890 2.448 572 2HG2 VAL 80 2HG2 VAL 80 -7.169 1.669 3.869 573 3HG2 VAL 80 3HG2 VAL 80 -8.145 3.138 3.716 574 H MET 81 H MET 81 -3.446 1.924 3.214 575 HA MET 81 HA MET 81 -4.282 0.273 5.548 576 1HB MET 81 1HB MET 81 -1.618 -0.041 4.070 577 2HB MET 81 2HB MET 81 -2.514 -1.247 4.974 578 1HG MET 81 1HG MET 81 -2.763 -0.500 2.125 579 2HG MET 81 2HG MET 81 -4.341 -0.445 2.926 580 1HE MET 81 1HE MET 81 -1.498 -3.912 3.828 581 2HE MET 81 2HE MET 81 -1.293 -3.458 2.110 582 3HE MET 81 3HE MET 81 -1.049 -2.234 3.390 583 H MET 82 H MET 82 -1.726 2.608 4.813 584 HA MET 82 HA MET 82 0.010 2.211 7.113 585 1HB MET 82 1HB MET 82 -0.281 4.300 5.010 586 2HB MET 82 2HB MET 82 0.261 4.954 6.545 587 1HG MET 82 1HG MET 82 1.750 2.467 5.779 588 2HG MET 82 2HG MET 82 1.912 3.785 4.607 589 1HE MET 82 1HE MET 82 3.772 3.111 8.571 590 2HE MET 82 2HE MET 82 3.172 2.061 7.253 591 3HE MET 82 3HE MET 82 4.722 2.933 7.062 592 H VAL 83 H VAL 83 -2.403 4.804 6.578 593 HA VAL 83 HA VAL 83 -2.492 5.994 9.168 594 HB VAL 83 HB VAL 83 -4.764 5.682 7.149 595 1HG1 VAL 83 1HG1 VAL 83 -3.142 8.205 7.861 596 2HG1 VAL 83 2HG1 VAL 83 -2.721 7.130 6.520 597 3HG1 VAL 83 3HG1 VAL 83 -4.282 7.983 6.508 598 1HG2 VAL 83 1HG2 VAL 83 -6.105 7.337 8.342 599 2HG2 VAL 83 2HG2 VAL 83 -5.713 6.065 9.523 600 3HG2 VAL 83 3HG2 VAL 83 -4.835 7.601 9.564 601 NH1 ARG 84 NH1 ARG 84 -9.897 -0.775 8.541 602 NH2 ARG 84 NH2 ARG 84 -9.943 1.215 7.446 603 H ARG 84 H ARG 84 -4.106 3.074 7.965 604 HA ARG 84 HA ARG 84 -5.907 2.384 10.136 605 1HB ARG 84 1HB ARG 84 -5.354 1.166 7.785 606 2HB ARG 84 2HB ARG 84 -4.287 0.198 8.793 607 1HG ARG 84 1HG ARG 84 -6.042 -0.743 10.076 608 2HG ARG 84 2HG ARG 84 -7.169 0.568 9.723 609 1HD ARG 84 1HD ARG 84 -6.181 -1.193 7.417 610 2HD ARG 84 2HD ARG 84 -7.427 -1.814 8.497 611 HE ARG 84 HE ARG 84 -7.802 0.303 6.449 612 1HH1 ARG 84 1HH1 ARG 84 -10.926 1.261 7.734 613 2HH1 ARG 84 2HH1 ARG 84 -9.424 1.921 6.912 614 1HH2 ARG 84 1HH2 ARG 84 -9.333 -1.559 8.886 615 2HH2 ARG 84 2HH2 ARG 84 -10.897 -0.615 8.710 616 H GLN 85 H GLN 85 -2.519 1.318 9.632 617 HA GLN 85 HA GLN 85 -2.184 -0.211 12.072 618 1HB GLN 85 1HB GLN 85 -0.617 -0.017 9.950 619 2HB GLN 85 2HB GLN 85 0.127 1.325 10.801 620 1HG GLN 85 1HG GLN 85 1.113 -1.139 11.022 621 2HG GLN 85 2HG GLN 85 -0.144 -1.376 12.218 622 1HE2 GLN 85 1HE2 GLN 85 3.146 0.951 13.137 623 2HE2 GLN 85 2HE2 GLN 85 2.878 0.217 11.477 624 H MET 86 H MET 86 -1.139 3.132 11.357 625 HA MET 86 HA MET 86 0.044 3.897 13.828 626 1HB MET 86 1HB MET 86 -0.825 5.298 11.464 627 2HB MET 86 2HB MET 86 -1.495 6.175 12.828 628 1HG MET 86 1HG MET 86 1.446 5.697 12.149 629 2HG MET 86 2HG MET 86 0.991 6.013 13.831 630 1HE MET 86 1HE MET 86 0.556 8.670 14.743 631 2HE MET 86 2HE MET 86 2.145 8.020 14.241 632 3HE MET 86 3HE MET 86 1.646 9.655 13.716 633 H LYS 87 H LYS 87 -3.376 3.811 12.937 634 HA LYS 87 HA LYS 87 -4.510 5.115 15.333 635 1HB LYS 87 1HB LYS 87 -5.620 3.462 13.069 636 2HB LYS 87 2HB LYS 87 -6.548 3.409 14.552 637 1HG LYS 87 1HG LYS 87 -5.810 5.924 12.942 638 2HG LYS 87 2HG LYS 87 -7.380 5.147 12.988 639 1HD LYS 87 1HD LYS 87 -7.759 6.919 14.478 640 2HD LYS 87 2HD LYS 87 -7.302 5.644 15.595 641 1HE LYS 87 1HE LYS 87 -5.594 6.884 16.412 642 2HE LYS 87 2HE LYS 87 -4.823 6.952 14.826 643 1HZ LYS 87 1HZ LYS 87 -6.444 8.857 14.362 644 2HZ LYS 87 2HZ LYS 87 -6.773 8.870 15.981 645 3HZ LYS 87 3HZ LYS 87 -5.237 9.164 15.447 646 H GLU 88 H GLU 88 -4.182 1.675 14.383 647 HA GLU 88 HA GLU 88 -3.545 -0.235 15.721 648 1HB GLU 88 1HB GLU 88 -2.622 1.639 17.379 649 2HB GLU 88 2HB GLU 88 -4.033 1.230 18.333 650 1HG GLU 88 1HG GLU 88 -2.155 -1.008 17.394 651 2HG GLU 88 2HG GLU 88 -1.691 0.009 18.748 652 H ASP 89 H ASP 89 -6.193 1.835 16.922 653 HA ASP 89 HA ASP 89 -8.166 -0.436 16.618 654 1HB ASP 89 1HB ASP 89 -7.199 -0.346 19.094 655 2HB ASP 89 2HB ASP 89 -8.244 1.044 19.281 656 H ALA 90 H ALA 90 -10.351 0.316 16.618 657 HA ALA 90 HA ALA 90 -11.095 3.203 16.486 658 1HB ALA 90 1HB ALA 90 -11.677 2.787 13.838 659 2HB ALA 90 2HB ALA 90 -10.164 3.541 14.375 660 3HB ALA 90 3HB ALA 90 -10.187 1.816 13.937 Start of MODEL 32 Raw file had 660 H/Q atoms Start of MODEL 32 1 1H ALA 1 1H ALA 1 -17.018 0.325 10.180 2 2H ALA 1 2H ALA 1 -17.811 1.240 11.347 3 3H ALA 1 3H ALA 1 -17.815 -0.439 11.448 4 HA ALA 1 HA ALA 1 -19.362 -0.746 9.892 5 1HB ALA 1 1HB ALA 1 -20.679 0.361 11.500 6 2HB ALA 1 2HB ALA 1 -19.853 1.918 11.301 7 3HB ALA 1 3HB ALA 1 -21.022 1.368 10.073 8 H SER 2 H SER 2 -18.704 -0.896 7.834 9 HA SER 2 HA SER 2 -18.584 -0.316 5.493 10 1HB SER 2 1HB SER 2 -20.423 1.412 6.348 11 2HB SER 2 2HB SER 2 -19.149 2.608 6.101 12 HG SER 2 HG SER 2 -19.550 0.697 4.103 13 H MET 3 H MET 3 -17.090 0.665 4.055 14 HA MET 3 HA MET 3 -15.012 2.611 4.922 15 1HB MET 3 1HB MET 3 -14.190 0.402 5.960 16 2HB MET 3 2HB MET 3 -13.058 1.360 5.027 17 1HG MET 3 1HG MET 3 -12.947 -0.215 3.234 18 2HG MET 3 2HG MET 3 -12.986 -1.207 4.699 19 1HE MET 3 1HE MET 3 -14.974 -3.692 4.210 20 2HE MET 3 2HE MET 3 -14.493 -2.564 5.513 21 3HE MET 3 3HE MET 3 -16.221 -2.757 5.095 22 H THR 4 H THR 4 -16.882 2.761 3.018 23 HA THR 4 HA THR 4 -15.713 2.161 0.309 24 HB THR 4 HB THR 4 -18.290 2.321 1.040 25 HG1 THR 4 HG1 THR 4 -17.688 3.337 -1.478 26 1HG2 THR 4 1HG2 THR 4 -19.415 4.330 0.156 27 2HG2 THR 4 2HG2 THR 4 -18.376 4.800 1.520 28 3HG2 THR 4 3HG2 THR 4 -17.865 5.142 -0.153 29 H ASP 5 H ASP 5 -14.582 4.096 2.523 30 HA ASP 5 HA ASP 5 -13.474 6.113 0.640 31 1HB ASP 5 1HB ASP 5 -15.836 7.029 1.424 32 2HB ASP 5 2HB ASP 5 -15.027 7.392 2.931 33 H GLN 6 H GLN 6 -12.640 3.980 2.422 34 HA GLN 6 HA GLN 6 -11.099 5.172 4.705 35 1HB GLN 6 1HB GLN 6 -11.882 2.584 4.123 36 2HB GLN 6 2HB GLN 6 -10.225 2.539 3.549 37 1HG GLN 6 1HG GLN 6 -9.879 1.865 5.733 38 2HG GLN 6 2HG GLN 6 -9.603 3.584 5.924 39 1HE2 GLN 6 1HE2 GLN 6 -12.720 1.799 7.909 40 2HE2 GLN 6 2HE2 GLN 6 -11.613 0.887 6.764 41 H GLN 7 H GLN 7 -10.587 4.303 1.324 42 HA GLN 7 HA GLN 7 -7.720 4.487 1.053 43 1HB GLN 7 1HB GLN 7 -8.393 5.464 -1.373 44 2HB GLN 7 2HB GLN 7 -8.526 3.769 -0.940 45 1HG GLN 7 1HG GLN 7 -10.807 3.736 -1.108 46 2HG GLN 7 2HG GLN 7 -11.018 5.262 -0.274 47 1HE2 GLN 7 1HE2 GLN 7 -11.591 5.234 -4.229 48 2HE2 GLN 7 2HE2 GLN 7 -11.456 3.739 -3.174 49 H ALA 8 H ALA 8 -10.118 7.078 0.397 50 HA ALA 8 HA ALA 8 -8.168 9.228 -0.009 51 1HB ALA 8 1HB ALA 8 -10.416 10.647 0.555 52 2HB ALA 8 2HB ALA 8 -10.159 9.827 -0.997 53 3HB ALA 8 3HB ALA 8 -11.177 9.067 0.253 54 H GLU 9 H GLU 9 -10.097 8.171 2.783 55 HA GLU 9 HA GLU 9 -9.691 10.252 4.684 56 1HB GLU 9 1HB GLU 9 -11.162 8.665 5.466 57 2HB GLU 9 2HB GLU 9 -10.189 7.299 4.954 58 1HG GLU 9 1HG GLU 9 -9.537 7.015 7.114 59 2HG GLU 9 2HG GLU 9 -8.618 8.507 7.014 60 H ALA 10 H ALA 10 -7.482 7.716 3.633 61 HA ALA 10 HA ALA 10 -5.459 7.798 5.687 62 1HB ALA 10 1HB ALA 10 -3.931 6.776 4.007 63 2HB ALA 10 2HB ALA 10 -5.535 6.020 3.967 64 3HB ALA 10 3HB ALA 10 -5.063 7.171 2.692 65 NH1 ARG 11 NH1 ARG 11 -8.060 12.294 -1.574 66 NH2 ARG 11 NH2 ARG 11 -7.376 10.260 -2.319 67 H ARG 11 H ARG 11 -5.485 9.487 2.529 68 HA ARG 11 HA ARG 11 -2.981 11.009 2.911 69 1HB ARG 11 1HB ARG 11 -4.349 10.437 0.684 70 2HB ARG 11 2HB ARG 11 -3.299 11.841 0.810 71 1HG ARG 11 1HG ARG 11 -6.363 11.829 0.995 72 2HG ARG 11 2HG ARG 11 -5.407 13.228 1.486 73 1HD ARG 11 1HD ARG 11 -4.282 13.113 -0.890 74 2HD ARG 11 2HD ARG 11 -5.928 13.733 -0.785 75 HE ARG 11 HE ARG 11 -5.107 11.241 -2.162 76 1HH1 ARG 11 1HH1 ARG 11 -9.010 11.954 -1.756 77 2HH1 ARG 11 2HH1 ARG 11 -7.796 13.221 -1.221 78 1HH2 ARG 11 1HH2 ARG 11 -6.591 9.662 -2.600 79 2HH2 ARG 11 2HH2 ARG 11 -8.375 10.036 -2.387 80 H ALA 12 H ALA 12 -6.400 11.623 3.529 81 HA ALA 12 HA ALA 12 -6.461 14.460 3.995 82 1HB ALA 12 1HB ALA 12 -8.463 14.071 5.417 83 2HB ALA 12 2HB ALA 12 -8.523 13.089 3.939 84 3HB ALA 12 3HB ALA 12 -8.108 12.328 5.495 85 H PHE 13 H PHE 13 -5.312 11.831 6.043 86 HA PHE 13 HA PHE 13 -5.008 13.478 8.528 87 1HB PHE 13 1HB PHE 13 -5.562 11.145 8.843 88 2HB PHE 13 2HB PHE 13 -4.261 10.589 7.823 89 HD1 PHE 13 HD1 PHE 13 -1.774 11.141 8.687 90 HD2 PHE 13 HD2 PHE 13 -5.253 11.367 11.212 91 HE1 PHE 13 HE1 PHE 13 -0.362 10.832 10.680 92 HE2 PHE 13 HE2 PHE 13 -3.823 11.071 13.191 93 HZ PHE 13 HZ PHE 13 -1.379 10.816 12.933 94 H LEU 14 H LEU 14 -2.964 12.108 5.973 95 HA LEU 14 HA LEU 14 -0.370 13.090 7.068 96 1HB LEU 14 1HB LEU 14 -0.746 12.284 4.151 97 2HB LEU 14 2HB LEU 14 0.678 12.138 5.159 98 HG LEU 14 HG LEU 14 -1.839 10.491 5.772 99 1HD1 LEU 14 1HD1 LEU 14 1.129 9.893 6.360 100 2HD1 LEU 14 2HD1 LEU 14 0.012 10.629 7.523 101 3HD1 LEU 14 3HD1 LEU 14 -0.283 8.972 6.938 102 1HD2 LEU 14 1HD2 LEU 14 -1.021 8.644 4.368 103 2HD2 LEU 14 2HD2 LEU 14 -1.118 10.092 3.335 104 3HD2 LEU 14 3HD2 LEU 14 0.454 9.546 3.936 105 H SER 15 H SER 15 1.009 14.377 5.363 106 HA SER 15 HA SER 15 -0.388 17.048 5.027 107 1HB SER 15 1HB SER 15 2.599 16.716 4.618 108 2HB SER 15 2HB SER 15 1.943 16.539 6.247 109 HG SER 15 HG SER 15 2.557 18.694 5.503 110 H GLU 16 H GLU 16 0.619 18.365 3.127 111 HA GLU 16 HA GLU 16 -0.140 16.968 0.576 112 1HB GLU 16 1HB GLU 16 0.585 19.898 1.103 113 2HB GLU 16 2HB GLU 16 0.139 19.262 -0.468 114 1HG GLU 16 1HG GLU 16 -1.684 19.260 2.026 115 2HG GLU 16 2HG GLU 16 -2.136 18.590 0.467 116 H GLU 17 H GLU 17 2.688 18.442 2.087 117 HA GLU 17 HA GLU 17 4.496 18.081 -0.291 118 1HB GLU 17 1HB GLU 17 5.265 18.917 2.555 119 2HB GLU 17 2HB GLU 17 6.311 18.953 1.149 120 1HG GLU 17 1HG GLU 17 4.236 20.543 0.213 121 2HG GLU 17 2HG GLU 17 5.686 21.150 0.994 122 H MET 18 H MET 18 3.757 16.498 2.766 123 HA MET 18 HA MET 18 6.005 14.668 2.994 124 1HB MET 18 1HB MET 18 4.595 14.957 4.926 125 2HB MET 18 2HB MET 18 3.143 14.492 4.058 126 1HG MET 18 1HG MET 18 4.701 12.162 3.799 127 2HG MET 18 2HG MET 18 3.424 12.430 4.995 128 1HE MET 18 1HE MET 18 3.820 13.788 7.239 129 2HE MET 18 2HE MET 18 4.009 12.057 7.645 130 3HE MET 18 3HE MET 18 5.167 13.254 8.294 131 H ILE 19 H ILE 19 3.042 14.564 1.107 132 HA ILE 19 HA ILE 19 3.009 11.781 0.252 133 HB ILE 19 HB ILE 19 2.024 14.236 -1.290 134 1HG1 ILE 19 1HG1 ILE 19 0.943 13.566 1.062 135 2HG1 ILE 19 2HG1 ILE 19 -0.076 14.019 -0.288 136 1HG2 ILE 19 1HG2 ILE 19 0.676 12.654 -2.688 137 2HG2 ILE 19 2HG2 ILE 19 2.396 12.311 -2.865 138 3HG2 ILE 19 3HG2 ILE 19 1.391 11.260 -1.841 139 1HD1 ILE 19 1HD1 ILE 19 0.420 11.118 0.602 140 2HD1 ILE 19 2HD1 ILE 19 -1.065 12.073 0.783 141 3HD1 ILE 19 3HD1 ILE 19 -0.517 11.594 -0.841 142 H ALA 20 H ALA 20 4.654 14.659 -1.049 143 HA ALA 20 HA ALA 20 5.756 13.733 -3.486 144 1HB ALA 20 1HB ALA 20 5.966 16.067 -2.320 145 2HB ALA 20 2HB ALA 20 7.466 15.439 -1.609 146 3HB ALA 20 3HB ALA 20 7.297 15.546 -3.380 147 H GLU 21 H GLU 21 7.325 13.512 -0.270 148 HA GLU 21 HA GLU 21 9.661 11.952 -1.234 149 1HB GLU 21 1HB GLU 21 10.594 12.241 0.819 150 2HB GLU 21 2HB GLU 21 9.453 13.571 0.847 151 1HG GLU 21 1HG GLU 21 7.833 11.842 2.099 152 2HG GLU 21 2HG GLU 21 9.101 12.682 2.975 153 H PHE 22 H PHE 22 6.520 11.233 0.145 154 HA PHE 22 HA PHE 22 6.859 8.573 1.180 155 1HB PHE 22 1HB PHE 22 4.320 9.469 -0.293 156 2HB PHE 22 2HB PHE 22 4.751 10.112 1.269 157 HD1 PHE 22 HD1 PHE 22 2.205 8.823 1.180 158 HD2 PHE 22 HD2 PHE 22 6.034 6.898 1.577 159 HE1 PHE 22 HE1 PHE 22 1.141 6.917 2.314 160 HE2 PHE 22 HE2 PHE 22 4.953 5.008 2.724 161 HZ PHE 22 HZ PHE 22 2.503 4.992 3.054 162 H LYS 23 H LYS 23 6.104 9.671 -2.119 163 HA LYS 23 HA LYS 23 5.774 7.041 -3.400 164 1HB LYS 23 1HB LYS 23 6.852 9.147 -5.202 165 2HB LYS 23 2HB LYS 23 5.397 8.184 -5.344 166 1HG LYS 23 1HG LYS 23 4.446 9.799 -3.440 167 2HG LYS 23 2HG LYS 23 5.791 10.837 -3.871 168 1HD LYS 23 1HD LYS 23 4.485 10.099 -6.367 169 2HD LYS 23 2HD LYS 23 3.218 10.473 -5.210 170 1HE LYS 23 1HE LYS 23 3.983 12.733 -4.855 171 2HE LYS 23 2HE LYS 23 5.560 12.429 -5.587 172 1HZ LYS 23 1HZ LYS 23 3.775 13.625 -6.959 173 2HZ LYS 23 2HZ LYS 23 4.619 12.425 -7.719 174 3HZ LYS 23 3HZ LYS 23 3.079 12.145 -7.190 175 H ALA 24 H ALA 24 8.519 9.153 -2.724 176 HA ALA 24 HA ALA 24 10.620 8.070 -4.329 177 1HB ALA 24 1HB ALA 24 12.204 8.915 -2.607 178 2HB ALA 24 2HB ALA 24 10.916 10.092 -2.925 179 3HB ALA 24 3HB ALA 24 10.878 9.112 -1.437 180 H ALA 25 H ALA 25 9.226 6.844 -1.319 181 HA ALA 25 HA ALA 25 11.277 4.697 -0.907 182 1HB ALA 25 1HB ALA 25 9.913 4.084 1.083 183 2HB ALA 25 2HB ALA 25 10.258 5.823 1.052 184 3HB ALA 25 3HB ALA 25 8.639 5.230 0.603 185 H PHE 26 H PHE 26 7.989 4.996 -2.146 186 HA PHE 26 HA PHE 26 7.214 2.176 -2.324 187 1HB PHE 26 1HB PHE 26 6.313 4.444 -4.196 188 2HB PHE 26 2HB PHE 26 5.676 4.216 -2.589 189 HD1 PHE 26 HD1 PHE 26 4.259 2.141 -2.082 190 HD2 PHE 26 HD2 PHE 26 5.676 2.952 -6.062 191 HE1 PHE 26 HE1 PHE 26 2.568 0.610 -3.007 192 HE2 PHE 26 HE2 PHE 26 3.980 1.415 -6.969 193 HZ PHE 26 HZ PHE 26 2.407 0.266 -5.450 194 H ASP 27 H ASP 27 9.157 4.324 -4.325 195 HA ASP 27 HA ASP 27 9.292 2.622 -6.735 196 1HB ASP 27 1HB ASP 27 11.298 4.832 -6.029 197 2HB ASP 27 2HB ASP 27 9.690 5.176 -6.624 198 H MET 28 H MET 28 11.092 2.827 -3.750 199 HA MET 28 HA MET 28 13.622 1.679 -4.243 200 1HB MET 28 1HB MET 28 11.756 1.157 -1.872 201 2HB MET 28 2HB MET 28 13.340 0.410 -1.973 202 1HG MET 28 1HG MET 28 13.144 3.450 -2.285 203 2HG MET 28 2HG MET 28 13.018 2.721 -0.675 204 1HE MET 28 1HE MET 28 15.764 4.572 -2.481 205 2HE MET 28 2HE MET 28 16.734 3.287 -3.261 206 3HE MET 28 3HE MET 28 15.032 3.539 -3.749 207 H PHE 29 H PHE 29 10.490 0.037 -4.147 208 HA PHE 29 HA PHE 29 11.733 -2.655 -4.873 209 1HB PHE 29 1HB PHE 29 8.834 -1.943 -4.090 210 2HB PHE 29 2HB PHE 29 9.335 -3.523 -4.628 211 HD1 PHE 29 HD1 PHE 29 10.971 -1.122 -2.168 212 HD2 PHE 29 HD2 PHE 29 9.281 -5.027 -2.821 213 HE1 PHE 29 HE1 PHE 29 11.603 -1.791 0.115 214 HE2 PHE 29 HE2 PHE 29 9.918 -5.673 -0.533 215 HZ PHE 29 HZ PHE 29 11.069 -4.059 0.938 216 H ASP 30 H ASP 30 9.588 -0.113 -6.057 217 HA ASP 30 HA ASP 30 9.236 -1.475 -8.745 218 1HB ASP 30 1HB ASP 30 8.057 1.267 -8.159 219 2HB ASP 30 2HB ASP 30 7.375 -0.128 -7.355 220 H ALA 31 H ALA 31 11.706 -1.209 -8.746 221 HA ALA 31 HA ALA 31 13.184 1.207 -9.116 222 1HB ALA 31 1HB ALA 31 14.822 -0.158 -10.418 223 2HB ALA 31 2HB ALA 31 14.257 -1.017 -8.972 224 3HB ALA 31 3HB ALA 31 13.640 -1.479 -10.579 225 H ASP 32 H ASP 32 10.970 -0.410 -11.297 226 HA ASP 32 HA ASP 32 11.821 0.991 -13.794 227 1HB ASP 32 1HB ASP 32 9.400 -0.783 -13.213 228 2HB ASP 32 2HB ASP 32 10.831 -1.163 -14.144 229 H GLY 33 H GLY 33 8.431 1.005 -12.888 230 1HA GLY 33 1HA GLY 33 8.318 4.024 -13.377 231 2HA GLY 33 2HA GLY 33 6.959 2.913 -13.567 232 H GLY 34 H GLY 34 5.790 2.219 -11.790 233 1HA GLY 34 1HA GLY 34 6.009 3.985 -9.295 234 2HA GLY 34 2HA GLY 34 5.922 2.234 -9.076 235 H GLY 35 H GLY 35 4.031 1.202 -9.189 236 1HA GLY 35 1HA GLY 35 1.456 2.788 -9.300 237 2HA GLY 35 2HA GLY 35 1.643 1.623 -10.614 238 H ASP 36 H ASP 36 3.018 -0.409 -9.291 239 HA ASP 36 HA ASP 36 1.484 -1.365 -6.892 240 1HB ASP 36 1HB ASP 36 0.398 -3.306 -7.943 241 2HB ASP 36 2HB ASP 36 -0.233 -1.798 -8.564 242 H ILE 37 H ILE 37 2.280 -3.379 -6.121 243 HA ILE 37 HA ILE 37 4.825 -4.532 -7.324 244 HB ILE 37 HB ILE 37 5.997 -4.450 -5.081 245 1HG1 ILE 37 1HG1 ILE 37 4.535 -1.926 -4.277 246 2HG1 ILE 37 2HG1 ILE 37 3.647 -3.409 -3.999 247 1HG2 ILE 37 1HG2 ILE 37 7.008 -2.207 -5.515 248 2HG2 ILE 37 2HG2 ILE 37 6.683 -3.036 -7.044 249 3HG2 ILE 37 3HG2 ILE 37 5.607 -1.726 -6.502 250 1HD1 ILE 37 1HD1 ILE 37 6.415 -2.806 -2.806 251 2HD1 ILE 37 2HD1 ILE 37 4.853 -2.859 -1.961 252 3HD1 ILE 37 3HD1 ILE 37 5.546 -4.355 -2.629 253 H SER 38 H SER 38 5.474 -6.270 -5.373 254 HA SER 38 HA SER 38 3.275 -8.276 -5.314 255 1HB SER 38 1HB SER 38 6.000 -8.503 -5.273 256 2HB SER 38 2HB SER 38 5.675 -8.693 -3.547 257 HG SER 38 HG SER 38 4.670 -10.183 -5.724 258 H THR 39 H THR 39 2.281 -9.113 -3.462 259 HA THR 39 HA THR 39 1.588 -7.089 -1.345 260 HB THR 39 HB THR 39 -0.342 -8.120 -2.130 261 HG1 THR 39 HG1 THR 39 -0.913 -9.590 -0.333 262 1HG2 THR 39 1HG2 THR 39 -0.802 -10.522 -2.357 263 2HG2 THR 39 2HG2 THR 39 0.651 -10.130 -3.307 264 3HG2 THR 39 3HG2 THR 39 0.807 -10.953 -1.732 265 H LYS 40 H LYS 40 3.364 -10.104 -1.703 266 HA LYS 40 HA LYS 40 3.882 -10.690 1.136 267 1HB LYS 40 1HB LYS 40 5.220 -11.524 -1.475 268 2HB LYS 40 2HB LYS 40 4.295 -12.501 -0.355 269 1HG LYS 40 1HG LYS 40 7.153 -11.440 0.039 270 2HG LYS 40 2HG LYS 40 6.247 -12.187 1.341 271 1HD LYS 40 1HD LYS 40 6.766 -14.299 0.611 272 2HD LYS 40 2HD LYS 40 6.147 -13.946 -0.994 273 1HE LYS 40 1HE LYS 40 8.671 -12.567 -0.859 274 2HE LYS 40 2HE LYS 40 8.957 -14.153 -0.141 275 1HZ LYS 40 1HZ LYS 40 7.477 -13.962 -2.697 276 2HZ LYS 40 2HZ LYS 40 9.125 -13.844 -2.691 277 3HZ LYS 40 3HZ LYS 40 8.392 -15.210 -2.119 278 H GLU 41 H GLU 41 5.335 -8.580 -1.274 279 HA GLU 41 HA GLU 41 7.811 -7.979 0.320 280 1HB GLU 41 1HB GLU 41 6.802 -6.779 -2.313 281 2HB GLU 41 2HB GLU 41 8.314 -6.340 -1.544 282 1HG GLU 41 1HG GLU 41 7.935 -8.393 -3.444 283 2HG GLU 41 2HG GLU 41 9.388 -8.106 -2.501 284 H LEU 42 H LEU 42 4.843 -6.276 -0.677 285 HA LEU 42 HA LEU 42 5.162 -3.648 0.114 286 1HB LEU 42 1HB LEU 42 3.043 -3.931 -0.710 287 2HB LEU 42 2HB LEU 42 2.810 -5.487 0.058 288 HG LEU 42 HG LEU 42 2.785 -3.052 1.878 289 1HD1 LEU 42 1HD1 LEU 42 0.375 -2.577 1.357 290 2HD1 LEU 42 2HD1 LEU 42 1.413 -2.239 -0.037 291 3HD1 LEU 42 3HD1 LEU 42 0.429 -3.723 -0.006 292 1HD2 LEU 42 1HD2 LEU 42 1.057 -5.618 1.812 293 2HD2 LEU 42 2HD2 LEU 42 2.466 -5.332 2.864 294 3HD2 LEU 42 3HD2 LEU 42 1.003 -4.350 3.064 295 H GLY 43 H GLY 43 4.703 -6.414 2.252 296 1HA GLY 43 1HA GLY 43 4.438 -5.185 4.884 297 2HA GLY 43 2HA GLY 43 5.226 -6.739 4.583 298 H THR 44 H THR 44 7.447 -6.616 3.614 299 HA THR 44 HA THR 44 9.380 -5.568 5.284 300 HB THR 44 HB THR 44 9.566 -6.202 2.330 301 HG1 THR 44 HG1 THR 44 9.574 -7.922 3.575 302 1HG2 THR 44 1HG2 THR 44 12.056 -5.994 2.410 303 2HG2 THR 44 2HG2 THR 44 11.274 -4.406 2.558 304 3HG2 THR 44 3HG2 THR 44 11.953 -5.201 4.002 305 H VAL 45 H VAL 45 8.044 -3.894 2.438 306 HA VAL 45 HA VAL 45 9.785 -1.606 2.281 307 HB VAL 45 HB VAL 45 7.838 -2.356 0.678 308 1HG1 VAL 45 1HG1 VAL 45 8.380 0.664 0.974 309 2HG1 VAL 45 2HG1 VAL 45 9.547 -0.470 0.284 310 3HG1 VAL 45 3HG1 VAL 45 7.977 -0.231 -0.515 311 1HG2 VAL 45 1HG2 VAL 45 5.771 -1.056 0.727 312 2HG2 VAL 45 2HG2 VAL 45 5.926 -1.808 2.332 313 3HG2 VAL 45 3HG2 VAL 45 6.318 -0.095 2.125 314 H MET 46 H MET 46 6.712 -1.999 4.075 315 HA MET 46 HA MET 46 6.615 0.665 5.277 316 1HB MET 46 1HB MET 46 4.720 -1.155 5.099 317 2HB MET 46 2HB MET 46 4.731 -0.007 6.425 318 1HG MET 46 1HG MET 46 5.100 -2.992 6.497 319 2HG MET 46 2HG MET 46 6.159 -2.093 7.596 320 1HE MET 46 1HE MET 46 2.748 -3.915 8.502 321 2HE MET 46 2HE MET 46 1.720 -2.786 7.571 322 3HE MET 46 3HE MET 46 3.085 -3.616 6.768 323 NH1 ARG 47 NH1 ARG 47 11.232 -6.994 7.521 324 NH2 ARG 47 NH2 ARG 47 11.947 -7.159 9.670 325 H ARG 47 H ARG 47 8.162 -2.358 6.207 326 HA ARG 47 HA ARG 47 8.794 -1.730 9.017 327 1HB ARG 47 1HB ARG 47 9.662 -3.851 7.040 328 2HB ARG 47 2HB ARG 47 10.752 -3.529 8.381 329 1HG ARG 47 1HG ARG 47 9.271 -4.290 10.028 330 2HG ARG 47 2HG ARG 47 7.825 -3.894 9.097 331 1HD ARG 47 1HD ARG 47 8.905 -5.835 7.438 332 2HD ARG 47 2HD ARG 47 7.706 -6.160 8.687 333 HE ARG 47 HE ARG 47 9.452 -7.114 10.125 334 1HH1 ARG 47 1HH1 ARG 47 12.847 -7.440 9.266 335 2HH1 ARG 47 2HH1 ARG 47 11.733 -7.028 10.665 336 1HH2 ARG 47 1HH2 ARG 47 10.477 -6.735 6.875 337 2HH2 ARG 47 2HH2 ARG 47 12.180 -7.295 7.267 338 H MET 48 H MET 48 10.421 -1.170 5.933 339 HA MET 48 HA MET 48 13.017 -0.275 7.159 340 1HB MET 48 1HB MET 48 12.620 -1.494 4.820 341 2HB MET 48 2HB MET 48 12.319 0.127 4.218 342 1HG MET 48 1HG MET 48 14.930 -0.821 5.564 343 2HG MET 48 2HG MET 48 14.620 0.849 5.063 344 1HE MET 48 1HE MET 48 16.804 -2.028 2.835 345 2HE MET 48 2HE MET 48 17.267 -0.318 3.082 346 3HE MET 48 3HE MET 48 16.772 -1.317 4.480 347 H LEU 49 H LEU 49 10.080 1.154 7.093 348 HA LEU 49 HA LEU 49 11.071 3.988 6.553 349 1HB LEU 49 1HB LEU 49 8.580 4.552 7.092 350 2HB LEU 49 2HB LEU 49 8.272 2.829 7.046 351 HG LEU 49 HG LEU 49 9.114 2.757 4.639 352 1HD1 LEU 49 1HD1 LEU 49 9.088 5.839 4.785 353 2HD1 LEU 49 2HD1 LEU 49 10.563 4.855 4.767 354 3HD1 LEU 49 3HD1 LEU 49 9.469 4.838 3.361 355 1HD2 LEU 49 1HD2 LEU 49 7.061 3.666 3.638 356 2HD2 LEU 49 2HD2 LEU 49 6.625 3.017 5.239 357 3HD2 LEU 49 3HD2 LEU 49 6.801 4.764 5.017 358 H GLY 50 H GLY 50 9.752 1.846 9.056 359 1HA GLY 50 1HA GLY 50 11.384 2.471 11.251 360 2HA GLY 50 2HA GLY 50 10.240 3.817 11.296 361 H GLN 51 H GLN 51 10.180 0.271 10.899 362 HA GLN 51 HA GLN 51 8.210 -0.119 13.146 363 1HB GLN 51 1HB GLN 51 7.337 -0.850 10.286 364 2HB GLN 51 2HB GLN 51 6.495 -1.276 11.766 365 1HG GLN 51 1HG GLN 51 6.970 1.630 10.871 366 2HG GLN 51 2HG GLN 51 5.527 0.716 10.483 367 1HE2 GLN 51 1HE2 GLN 51 5.327 2.786 13.815 368 2HE2 GLN 51 2HE2 GLN 51 5.996 3.178 12.152 369 H ASN 52 H ASN 52 7.567 -2.587 13.035 370 HA ASN 52 HA ASN 52 9.846 -4.314 12.075 371 1HB ASN 52 1HB ASN 52 9.241 -3.748 14.989 372 2HB ASN 52 2HB ASN 52 9.767 -5.367 14.579 373 1HD2 ASN 52 1HD2 ASN 52 13.186 -4.252 14.045 374 2HD2 ASN 52 2HD2 ASN 52 11.968 -5.607 13.827 375 HA PRO 53 HA PRO 53 4.953 -6.069 12.460 376 1HB PRO 53 1HB PRO 53 4.260 -6.119 10.077 377 2HB PRO 53 2HB PRO 53 5.963 -5.998 9.561 378 1HG PRO 53 1HG PRO 53 4.272 -3.801 10.836 379 2HG PRO 53 2HG PRO 53 5.350 -3.684 9.426 380 1HD PRO 53 1HD PRO 53 6.038 -3.080 12.133 381 2HD PRO 53 2HD PRO 53 7.231 -3.352 10.818 382 H THR 54 H THR 54 4.759 -8.212 12.730 383 HA THR 54 HA THR 54 7.134 -10.039 12.458 384 HB THR 54 HB THR 54 4.523 -10.183 13.900 385 HG1 THR 54 HG1 THR 54 5.882 -11.029 15.430 386 1HG2 THR 54 1HG2 THR 54 4.592 -12.633 14.237 387 2HG2 THR 54 2HG2 THR 54 4.314 -12.272 12.518 388 3HG2 THR 54 3HG2 THR 54 5.924 -12.801 13.069 389 H LYS 55 H LYS 55 7.073 -11.995 11.273 390 HA LYS 55 HA LYS 55 6.264 -11.637 8.474 391 1HB LYS 55 1HB LYS 55 7.109 -14.290 9.776 392 2HB LYS 55 2HB LYS 55 8.256 -13.037 9.353 393 1HG LYS 55 1HG LYS 55 6.608 -14.836 7.533 394 2HG LYS 55 2HG LYS 55 8.341 -14.580 7.551 395 1HD LYS 55 1HD LYS 55 6.168 -12.823 6.296 396 2HD LYS 55 2HD LYS 55 7.679 -12.082 6.798 397 1HE LYS 55 1HE LYS 55 8.802 -14.106 5.395 398 2HE LYS 55 2HE LYS 55 7.242 -14.118 4.570 399 1HZ LYS 55 1HZ LYS 55 8.624 -11.534 4.933 400 2HZ LYS 55 2HZ LYS 55 9.166 -12.572 3.768 401 3HZ LYS 55 3HZ LYS 55 7.612 -12.015 3.720 402 H GLU 56 H GLU 56 4.927 -13.382 11.231 403 HA GLU 56 HA GLU 56 2.882 -14.951 9.828 404 1HB GLU 56 1HB GLU 56 1.792 -14.743 12.326 405 2HB GLU 56 2HB GLU 56 3.436 -14.269 12.707 406 1HG GLU 56 1HG GLU 56 2.574 -16.928 11.398 407 2HG GLU 56 2HG GLU 56 4.252 -16.454 11.597 408 H GLU 57 H GLU 57 3.006 -11.694 11.155 409 HA GLU 57 HA GLU 57 0.129 -11.070 11.127 410 1HB GLU 57 1HB GLU 57 0.683 -8.783 11.523 411 2HB GLU 57 2HB GLU 57 2.285 -8.936 10.828 412 1HG GLU 57 1HG GLU 57 2.941 -10.463 12.791 413 2HG GLU 57 2HG GLU 57 2.596 -8.794 13.211 414 H LEU 58 H LEU 58 2.746 -10.826 8.769 415 HA LEU 58 HA LEU 58 1.479 -9.307 6.654 416 1HB LEU 58 1HB LEU 58 3.638 -11.469 6.626 417 2HB LEU 58 2HB LEU 58 2.996 -10.868 5.113 418 HG LEU 58 HG LEU 58 3.969 -8.738 5.345 419 1HD1 LEU 58 1HD1 LEU 58 5.951 -10.423 7.001 420 2HD1 LEU 58 2HD1 LEU 58 5.752 -10.590 5.251 421 3HD1 LEU 58 3HD1 LEU 58 6.330 -9.050 5.930 422 1HD2 LEU 58 1HD2 LEU 58 4.622 -7.622 7.450 423 2HD2 LEU 58 2HD2 LEU 58 2.956 -8.223 7.633 424 3HD2 LEU 58 3HD2 LEU 58 4.298 -9.099 8.393 425 H ASP 59 H ASP 59 1.263 -12.704 7.577 426 HA ASP 59 HA ASP 59 -0.246 -13.698 5.262 427 1HB ASP 59 1HB ASP 59 0.148 -14.838 8.072 428 2HB ASP 59 2HB ASP 59 -0.951 -15.593 6.941 429 H ALA 60 H ALA 60 -1.160 -12.329 8.396 430 HA ALA 60 HA ALA 60 -4.038 -12.656 8.335 431 1HB ALA 60 1HB ALA 60 -4.123 -10.751 9.936 432 2HB ALA 60 2HB ALA 60 -2.834 -11.894 10.359 433 3HB ALA 60 3HB ALA 60 -2.427 -10.340 9.587 434 H ILE 61 H ILE 61 -1.988 -9.990 7.116 435 HA ILE 61 HA ILE 61 -3.907 -8.193 6.078 436 HB ILE 61 HB ILE 61 -1.077 -8.793 5.184 437 1HG1 ILE 61 1HG1 ILE 61 -2.462 -6.670 6.817 438 2HG1 ILE 61 2HG1 ILE 61 -0.853 -7.340 6.981 439 1HG2 ILE 61 1HG2 ILE 61 -1.162 -6.965 3.468 440 2HG2 ILE 61 2HG2 ILE 61 -2.256 -8.276 3.034 441 3HG2 ILE 61 3HG2 ILE 61 -2.914 -6.777 3.728 442 1HD1 ILE 61 1HD1 ILE 61 -1.614 -5.163 4.948 443 2HD1 ILE 61 2HD1 ILE 61 -0.637 -4.984 6.420 444 3HD1 ILE 61 3HD1 ILE 61 -0.011 -5.941 5.057 445 H ILE 62 H ILE 62 -2.689 -11.243 4.797 446 HA ILE 62 HA ILE 62 -3.774 -11.067 2.053 447 HB ILE 62 HB ILE 62 -2.019 -12.798 3.320 448 1HG1 ILE 62 1HG1 ILE 62 -1.707 -13.876 1.156 449 2HG1 ILE 62 2HG1 ILE 62 -3.351 -13.549 0.651 450 1HG2 ILE 62 1HG2 ILE 62 -2.940 -15.124 3.142 451 2HG2 ILE 62 2HG2 ILE 62 -3.859 -14.188 4.318 452 3HG2 ILE 62 3HG2 ILE 62 -4.540 -14.478 2.701 453 1HD1 ILE 62 1HD1 ILE 62 -1.172 -11.397 0.928 454 2HD1 ILE 62 2HD1 ILE 62 -1.877 -12.048 -0.566 455 3HD1 ILE 62 3HD1 ILE 62 -2.881 -11.071 0.530 456 H GLU 63 H GLU 63 -4.929 -12.424 5.124 457 HA GLU 63 HA GLU 63 -7.508 -13.455 4.192 458 1HB GLU 63 1HB GLU 63 -6.519 -14.140 6.343 459 2HB GLU 63 2HB GLU 63 -6.698 -12.524 6.996 460 1HG GLU 63 1HG GLU 63 -8.571 -13.536 7.945 461 2HG GLU 63 2HG GLU 63 -9.312 -12.890 6.491 462 H GLU 64 H GLU 64 -6.362 -10.253 5.034 463 HA GLU 64 HA GLU 64 -9.182 -9.086 4.752 464 1HB GLU 64 1HB GLU 64 -8.039 -8.928 7.037 465 2HB GLU 64 2HB GLU 64 -6.868 -7.839 6.321 466 1HG GLU 64 1HG GLU 64 -8.638 -6.160 5.814 467 2HG GLU 64 2HG GLU 64 -9.900 -7.272 6.314 468 H VAL 65 H VAL 65 -7.155 -9.669 2.636 469 HA VAL 65 HA VAL 65 -7.536 -7.108 1.144 470 HB VAL 65 HB VAL 65 -5.387 -6.425 0.635 471 1HG1 VAL 65 1HG1 VAL 65 -4.041 -8.927 1.843 472 2HG1 VAL 65 2HG1 VAL 65 -4.437 -8.759 0.122 473 3HG1 VAL 65 3HG1 VAL 65 -3.282 -7.636 0.879 474 1HG2 VAL 65 1HG2 VAL 65 -4.239 -5.876 2.714 475 2HG2 VAL 65 2HG2 VAL 65 -5.972 -5.958 3.113 476 3HG2 VAL 65 3HG2 VAL 65 -4.903 -7.296 3.557 477 H ASP 66 H ASP 66 -5.596 -10.134 1.076 478 HA ASP 66 HA ASP 66 -6.602 -10.794 -1.710 479 1HB ASP 66 1HB ASP 66 -4.447 -12.128 0.017 480 2HB ASP 66 2HB ASP 66 -4.211 -11.124 -1.395 481 H GLU 67 H GLU 67 -8.613 -10.675 0.045 482 HA GLU 67 HA GLU 67 -9.337 -13.359 1.189 483 1HB GLU 67 1HB GLU 67 -11.068 -12.360 2.264 484 2HB GLU 67 2HB GLU 67 -10.056 -10.947 2.034 485 1HG GLU 67 1HG GLU 67 -11.579 -10.751 -0.262 486 2HG GLU 67 2HG GLU 67 -12.710 -11.643 0.741 487 H ASP 68 H ASP 68 -10.286 -11.288 -1.547 488 HA ASP 68 HA ASP 68 -11.759 -13.613 -2.864 489 1HB ASP 68 1HB ASP 68 -12.820 -11.214 -2.567 490 2HB ASP 68 2HB ASP 68 -13.100 -12.151 -4.017 491 H GLY 69 H GLY 69 -9.225 -11.172 -3.418 492 1HA GLY 69 1HA GLY 69 -7.967 -12.977 -5.565 493 2HA GLY 69 2HA GLY 69 -7.049 -11.912 -4.495 494 H SER 70 H SER 70 -6.984 -9.711 -4.857 495 HA SER 70 HA SER 70 -8.325 -8.357 -7.177 496 1HB SER 70 1HB SER 70 -5.964 -7.085 -5.780 497 2HB SER 70 2HB SER 70 -7.463 -6.363 -6.369 498 HG SER 70 HG SER 70 -7.917 -6.465 -4.340 499 H GLY 71 H GLY 71 -4.881 -8.871 -6.300 500 1HA GLY 71 1HA GLY 71 -3.724 -10.307 -8.384 501 2HA GLY 71 2HA GLY 71 -4.049 -8.784 -9.218 502 H THR 72 H THR 72 -3.536 -6.885 -7.377 503 HA THR 72 HA THR 72 -0.828 -7.236 -6.139 504 HB THR 72 HB THR 72 0.279 -5.434 -7.473 505 HG1 THR 72 HG1 THR 72 -1.780 -5.899 -9.336 506 1HG2 THR 72 1HG2 THR 72 1.120 -6.770 -9.240 507 2HG2 THR 72 2HG2 THR 72 0.613 -7.989 -8.050 508 3HG2 THR 72 3HG2 THR 72 -0.406 -7.651 -9.474 509 H ILE 73 H ILE 73 -0.146 -5.312 -4.994 510 HA ILE 73 HA ILE 73 -2.512 -3.723 -3.973 511 HB ILE 73 HB ILE 73 -1.034 -5.054 -2.366 512 1HG1 ILE 73 1HG1 ILE 73 -2.122 -2.269 -2.001 513 2HG1 ILE 73 2HG1 ILE 73 -1.062 -2.845 -0.728 514 1HG2 ILE 73 1HG2 ILE 73 1.000 -4.042 -1.405 515 2HG2 ILE 73 2HG2 ILE 73 1.250 -4.292 -3.138 516 3HG2 ILE 73 3HG2 ILE 73 0.907 -2.658 -2.519 517 1HD1 ILE 73 1HD1 ILE 73 -2.689 -5.065 -0.894 518 2HD1 ILE 73 2HD1 ILE 73 -3.009 -3.672 0.162 519 3HD1 ILE 73 3HD1 ILE 73 -3.833 -3.797 -1.411 520 H ASP 74 H ASP 74 -2.639 -1.561 -4.133 521 HA ASP 74 HA ASP 74 -0.645 -0.174 -5.985 522 1HB ASP 74 1HB ASP 74 -2.655 1.554 -6.165 523 2HB ASP 74 2HB ASP 74 -2.602 0.096 -7.129 524 H PHE 75 H PHE 75 -0.969 2.387 -5.560 525 HA PHE 75 HA PHE 75 0.486 2.850 -2.991 526 1HB PHE 75 1HB PHE 75 -0.387 5.085 -4.883 527 2HB PHE 75 2HB PHE 75 0.857 3.971 -5.387 528 HD1 PHE 75 HD1 PHE 75 2.056 6.387 -5.432 529 HD2 PHE 75 HD2 PHE 75 1.120 4.233 -1.826 530 HE1 PHE 75 HE1 PHE 75 3.506 7.899 -4.139 531 HE2 PHE 75 HE2 PHE 75 2.650 5.697 -0.569 532 HZ PHE 75 HZ PHE 75 3.837 7.532 -1.717 533 H GLU 76 H GLU 76 -2.726 3.352 -4.321 534 HA GLU 76 HA GLU 76 -3.782 5.267 -2.374 535 1HB GLU 76 1HB GLU 76 -5.811 5.085 -3.412 536 2HB GLU 76 2HB GLU 76 -4.757 4.523 -4.694 537 1HG GLU 76 1HG GLU 76 -5.362 2.147 -4.231 538 2HG GLU 76 2HG GLU 76 -6.278 2.613 -2.808 539 H GLU 77 H GLU 77 -4.277 1.736 -2.653 540 HA GLU 77 HA GLU 77 -5.462 1.290 0.006 541 1HB GLU 77 1HB GLU 77 -5.272 -0.301 -2.165 542 2HB GLU 77 2HB GLU 77 -3.870 -0.918 -1.314 543 1HG GLU 77 1HG GLU 77 -5.569 -2.378 -0.582 544 2HG GLU 77 2HG GLU 77 -5.483 -1.243 0.755 545 H PHE 78 H PHE 78 -2.180 1.499 -1.243 546 HA PHE 78 HA PHE 78 -0.654 0.388 0.944 547 1HB PHE 78 1HB PHE 78 0.541 0.804 -1.064 548 2HB PHE 78 2HB PHE 78 0.014 2.461 -1.193 549 HD1 PHE 78 HD1 PHE 78 1.331 0.989 2.020 550 HD2 PHE 78 HD2 PHE 78 2.222 3.485 -1.369 551 HE1 PHE 78 HE1 PHE 78 3.524 1.546 2.992 552 HE2 PHE 78 HE2 PHE 78 4.357 4.121 -0.327 553 HZ PHE 78 HZ PHE 78 5.027 3.132 1.836 554 H LEU 79 H LEU 79 -2.081 3.588 0.461 555 HA LEU 79 HA LEU 79 -0.952 4.894 2.866 556 1HB LEU 79 1HB LEU 79 -3.553 5.717 1.463 557 2HB LEU 79 2HB LEU 79 -2.512 6.714 2.455 558 HG LEU 79 HG LEU 79 -2.253 5.961 -0.448 559 1HD1 LEU 79 1HD1 LEU 79 0.315 6.422 1.199 560 2HD1 LEU 79 2HD1 LEU 79 -0.193 4.845 0.566 561 3HD1 LEU 79 3HD1 LEU 79 0.204 6.166 -0.561 562 1HD2 LEU 79 1HD2 LEU 79 -1.463 8.275 -0.690 563 2HD2 LEU 79 2HD2 LEU 79 -2.856 8.309 0.420 564 3HD2 LEU 79 3HD2 LEU 79 -1.214 8.440 1.067 565 H VAL 80 H VAL 80 -3.826 2.996 2.133 566 HA VAL 80 HA VAL 80 -5.401 3.584 4.526 567 HB VAL 80 HB VAL 80 -5.573 1.534 2.347 568 1HG1 VAL 80 1HG1 VAL 80 -7.809 3.190 3.673 569 2HG1 VAL 80 2HG1 VAL 80 -6.806 3.806 2.353 570 3HG1 VAL 80 3HG1 VAL 80 -7.839 2.383 2.084 571 1HG2 VAL 80 1HG2 VAL 80 -7.301 0.154 3.404 572 2HG2 VAL 80 2HG2 VAL 80 -5.869 0.090 4.458 573 3HG2 VAL 80 3HG2 VAL 80 -7.245 1.109 4.905 574 H MET 81 H MET 81 -2.886 1.235 3.760 575 HA MET 81 HA MET 81 -3.178 -0.509 6.115 576 1HB MET 81 1HB MET 81 -0.571 -0.182 4.540 577 2HB MET 81 2HB MET 81 -1.114 -1.568 5.468 578 1HG MET 81 1HG MET 81 -2.077 -0.653 2.712 579 2HG MET 81 2HG MET 81 -1.451 -2.233 3.210 580 1HE MET 81 1HE MET 81 -2.860 -4.103 3.124 581 2HE MET 81 2HE MET 81 -3.006 -4.015 4.905 582 3HE MET 81 3HE MET 81 -4.463 -4.286 3.905 583 H MET 82 H MET 82 -0.880 2.109 5.308 584 HA MET 82 HA MET 82 0.668 1.999 7.805 585 1HB MET 82 1HB MET 82 1.775 4.022 7.097 586 2HB MET 82 2HB MET 82 0.445 4.499 6.057 587 1HG MET 82 1HG MET 82 1.785 3.662 4.378 588 2HG MET 82 2HG MET 82 1.096 2.099 4.845 589 1HE MET 82 1HE MET 82 5.167 3.790 6.393 590 2HE MET 82 2HE MET 82 3.763 4.737 5.818 591 3HE MET 82 3HE MET 82 3.730 3.993 7.443 592 H VAL 83 H VAL 83 -2.235 3.708 6.790 593 HA VAL 83 HA VAL 83 -2.417 5.567 9.090 594 HB VAL 83 HB VAL 83 -4.273 4.831 6.825 595 1HG1 VAL 83 1HG1 VAL 83 -6.137 6.206 7.767 596 2HG1 VAL 83 2HG1 VAL 83 -5.842 4.783 8.775 597 3HG1 VAL 83 3HG1 VAL 83 -5.262 6.378 9.310 598 1HG2 VAL 83 1HG2 VAL 83 -3.328 7.567 7.912 599 2HG2 VAL 83 2HG2 VAL 83 -2.667 6.731 6.488 600 3HG2 VAL 83 3HG2 VAL 83 -4.340 7.307 6.468 601 NH1 ARG 84 NH1 ARG 84 -8.396 -2.925 7.519 602 NH2 ARG 84 NH2 ARG 84 -8.881 -0.814 6.832 603 H ARG 84 H ARG 84 -3.545 2.314 8.333 604 HA ARG 84 HA ARG 84 -5.413 1.820 10.516 605 1HB ARG 84 1HB ARG 84 -4.751 0.322 8.402 606 2HB ARG 84 2HB ARG 84 -3.565 -0.375 9.496 607 1HG ARG 84 1HG ARG 84 -5.182 -1.316 10.951 608 2HG ARG 84 2HG ARG 84 -6.457 -0.201 10.454 609 1HD ARG 84 1HD ARG 84 -5.279 -2.403 8.632 610 2HD ARG 84 2HD ARG 84 -6.768 -2.574 9.560 611 HE ARG 84 HE ARG 84 -6.538 -0.339 7.489 612 1HH1 ARG 84 1HH1 ARG 84 -9.318 -3.175 7.146 613 2HH1 ARG 84 2HH1 ARG 84 -7.707 -3.562 7.933 614 1HH2 ARG 84 1HH2 ARG 84 -8.577 0.163 6.753 615 2HH2 ARG 84 2HH2 ARG 84 -9.756 -1.216 6.480 616 H GLN 85 H GLN 85 -1.916 1.053 10.283 617 HA GLN 85 HA GLN 85 -1.651 -0.027 13.013 618 1HB GLN 85 1HB GLN 85 0.787 1.115 11.623 619 2HB GLN 85 2HB GLN 85 -0.081 -0.166 10.794 620 1HG GLN 85 1HG GLN 85 0.502 -0.721 13.700 621 2HG GLN 85 2HG GLN 85 1.917 -0.571 12.678 622 1HE2 GLN 85 1HE2 GLN 85 1.200 -3.650 10.852 623 2HE2 GLN 85 2HE2 GLN 85 2.165 -2.089 10.893 624 H MET 86 H MET 86 -0.684 3.074 11.531 625 HA MET 86 HA MET 86 0.594 4.385 13.714 626 1HB MET 86 1HB MET 86 -1.176 6.206 12.113 627 2HB MET 86 2HB MET 86 -0.130 5.174 11.154 628 1HG MET 86 1HG MET 86 1.756 6.083 12.936 629 2HG MET 86 2HG MET 86 1.359 6.915 11.424 630 1HE MET 86 1HE MET 86 1.923 9.632 14.311 631 2HE MET 86 2HE MET 86 2.786 8.336 13.431 632 3HE MET 86 3HE MET 86 2.002 9.659 12.521 633 H LYS 87 H LYS 87 -2.844 3.968 13.057 634 HA LYS 87 HA LYS 87 -3.923 5.762 15.156 635 1HB LYS 87 1HB LYS 87 -5.435 5.175 13.382 636 2HB LYS 87 2HB LYS 87 -5.153 3.456 13.556 637 1HG LYS 87 1HG LYS 87 -7.393 4.180 14.390 638 2HG LYS 87 2HG LYS 87 -6.456 3.344 15.613 639 1HD LYS 87 1HD LYS 87 -7.585 5.232 16.687 640 2HD LYS 87 2HD LYS 87 -5.855 5.535 16.682 641 1HE LYS 87 1HE LYS 87 -5.976 7.248 15.025 642 2HE LYS 87 2HE LYS 87 -7.547 6.722 14.417 643 1HZ LYS 87 1HZ LYS 87 -7.887 7.373 17.122 644 2HZ LYS 87 2HZ LYS 87 -6.990 8.590 16.457 645 3HZ LYS 87 3HZ LYS 87 -8.455 8.194 15.806 646 H GLU 88 H GLU 88 -3.710 2.185 14.949 647 HA GLU 88 HA GLU 88 -2.797 1.919 17.788 648 1HB GLU 88 1HB GLU 88 -5.676 1.669 17.175 649 2HB GLU 88 2HB GLU 88 -5.038 0.200 17.886 650 1HG GLU 88 1HG GLU 88 -3.954 2.027 19.653 651 2HG GLU 88 2HG GLU 88 -5.344 2.955 19.115 652 H ASP 89 H ASP 89 -4.760 -0.304 15.836 653 HA ASP 89 HA ASP 89 -2.485 -1.686 14.516 654 1HB ASP 89 1HB ASP 89 -3.717 -3.749 16.251 655 2HB ASP 89 2HB ASP 89 -2.904 -2.517 17.188 656 H ALA 90 H ALA 90 -3.596 -4.118 14.029 657 HA ALA 90 HA ALA 90 -6.171 -3.476 12.508 658 1HB ALA 90 1HB ALA 90 -4.020 -5.641 12.116 659 2HB ALA 90 2HB ALA 90 -5.621 -5.785 11.364 660 3HB ALA 90 3HB ALA 90 -4.568 -4.409 10.952 Start of MODEL 33 Raw file had 660 H/Q atoms Start of MODEL 33 1 1H ALA 1 1H ALA 1 -22.436 -1.594 3.060 2 2H ALA 1 2H ALA 1 -21.817 -3.135 3.328 3 3H ALA 1 3H ALA 1 -21.253 -1.833 4.231 4 HA ALA 1 HA ALA 1 -19.574 -1.806 2.832 5 1HB ALA 1 1HB ALA 1 -20.747 -4.024 1.840 6 2HB ALA 1 2HB ALA 1 -21.096 -2.969 0.458 7 3HB ALA 1 3HB ALA 1 -19.409 -3.243 0.964 8 H SER 2 H SER 2 -19.458 0.351 2.659 9 HA SER 2 HA SER 2 -20.557 1.735 0.216 10 1HB SER 2 1HB SER 2 -21.631 2.333 2.989 11 2HB SER 2 2HB SER 2 -21.430 3.669 1.854 12 HG SER 2 HG SER 2 -23.385 2.883 1.458 13 H MET 3 H MET 3 -18.351 1.887 -0.265 14 HA MET 3 HA MET 3 -16.613 3.749 1.432 15 1HB MET 3 1HB MET 3 -14.685 2.972 0.263 16 2HB MET 3 2HB MET 3 -15.618 2.310 -1.067 17 1HG MET 3 1HG MET 3 -15.367 1.132 1.766 18 2HG MET 3 2HG MET 3 -16.574 0.556 0.605 19 1HE MET 3 1HE MET 3 -16.219 -1.517 0.012 20 2HE MET 3 2HE MET 3 -14.862 -2.200 -0.931 21 3HE MET 3 3HE MET 3 -14.776 -2.163 0.854 22 H THR 4 H THR 4 -18.232 5.397 0.797 23 HA THR 4 HA THR 4 -18.422 6.473 -1.935 24 HB THR 4 HB THR 4 -19.195 7.509 0.786 25 HG1 THR 4 HG1 THR 4 -20.580 7.460 -1.669 26 1HG2 THR 4 1HG2 THR 4 -19.989 9.672 -0.092 27 2HG2 THR 4 2HG2 THR 4 -18.219 9.601 -0.241 28 3HG2 THR 4 3HG2 THR 4 -19.247 9.374 -1.679 29 H ASP 5 H ASP 5 -16.211 6.925 0.764 30 HA ASP 5 HA ASP 5 -13.979 7.876 -0.878 31 1HB ASP 5 1HB ASP 5 -13.760 10.234 -0.089 32 2HB ASP 5 2HB ASP 5 -15.114 9.974 -1.165 33 H GLN 6 H GLN 6 -14.300 5.889 0.923 34 HA GLN 6 HA GLN 6 -13.516 6.566 3.719 35 1HB GLN 6 1HB GLN 6 -14.702 4.352 2.589 36 2HB GLN 6 2HB GLN 6 -13.047 3.777 2.686 37 1HG GLN 6 1HG GLN 6 -15.019 4.256 4.881 38 2HG GLN 6 2HG GLN 6 -13.422 4.869 5.258 39 1HE2 GLN 6 1HE2 GLN 6 -13.521 0.784 4.402 40 2HE2 GLN 6 2HE2 GLN 6 -14.302 2.000 3.272 41 H GLN 7 H GLN 7 -11.902 5.552 0.750 42 HA GLN 7 HA GLN 7 -9.214 4.965 1.871 43 1HB GLN 7 1HB GLN 7 -8.405 4.970 -0.445 44 2HB GLN 7 2HB GLN 7 -9.881 4.032 -0.296 45 1HG GLN 7 1HG GLN 7 -11.141 6.191 -1.139 46 2HG GLN 7 2HG GLN 7 -9.561 6.792 -1.600 47 1HE2 GLN 7 1HE2 GLN 7 -10.227 5.167 -4.746 48 2HE2 GLN 7 2HE2 GLN 7 -10.220 6.750 -3.818 49 H ALA 8 H ALA 8 -10.867 7.806 0.540 50 HA ALA 8 HA ALA 8 -8.528 9.597 0.324 51 1HB ALA 8 1HB ALA 8 -10.559 11.381 0.413 52 2HB ALA 8 2HB ALA 8 -10.223 10.396 -1.023 53 3HB ALA 8 3HB ALA 8 -11.531 9.926 0.091 54 H GLU 9 H GLU 9 -10.854 8.797 2.843 55 HA GLU 9 HA GLU 9 -10.576 10.824 4.810 56 1HB GLU 9 1HB GLU 9 -11.985 8.656 4.917 57 2HB GLU 9 2HB GLU 9 -10.567 7.864 5.575 58 1HG GLU 9 1HG GLU 9 -12.271 10.073 6.845 59 2HG GLU 9 2HG GLU 9 -10.616 9.848 7.386 60 H ALA 10 H ALA 10 -8.295 8.300 3.887 61 HA ALA 10 HA ALA 10 -6.402 8.577 6.126 62 1HB ALA 10 1HB ALA 10 -4.872 7.187 4.739 63 2HB ALA 10 2HB ALA 10 -6.510 6.508 4.769 64 3HB ALA 10 3HB ALA 10 -5.934 7.375 3.323 65 NH1 ARG 11 NH1 ARG 11 -5.681 15.950 -2.182 66 NH2 ARG 11 NH2 ARG 11 -6.473 14.185 -3.373 67 H ARG 11 H ARG 11 -6.470 9.837 2.792 68 HA ARG 11 HA ARG 11 -3.937 11.173 2.579 69 1HB ARG 11 1HB ARG 11 -5.791 10.929 0.763 70 2HB ARG 11 2HB ARG 11 -6.530 12.361 1.464 71 1HG ARG 11 1HG ARG 11 -3.711 12.970 1.046 72 2HG ARG 11 2HG ARG 11 -4.337 12.236 -0.433 73 1HD ARG 11 1HD ARG 11 -4.557 14.868 -0.096 74 2HD ARG 11 2HD ARG 11 -5.918 14.480 0.954 75 HE ARG 11 HE ARG 11 -6.949 13.243 -1.109 76 1HH1 ARG 11 1HH1 ARG 11 -5.669 16.448 -3.078 77 2HH1 ARG 11 2HH1 ARG 11 -5.390 16.318 -1.270 78 1HH2 ARG 11 1HH2 ARG 11 -6.814 13.217 -3.367 79 2HH2 ARG 11 2HH2 ARG 11 -6.377 14.797 -4.191 80 H ALA 12 H ALA 12 -7.028 12.430 3.845 81 HA ALA 12 HA ALA 12 -6.417 15.120 4.491 82 1HB ALA 12 1HB ALA 12 -8.130 15.001 6.290 83 2HB ALA 12 2HB ALA 12 -8.674 14.155 4.828 84 3HB ALA 12 3HB ALA 12 -8.109 13.221 6.236 85 H PHE 13 H PHE 13 -5.710 12.217 6.443 86 HA PHE 13 HA PHE 13 -4.612 13.594 8.791 87 1HB PHE 13 1HB PHE 13 -4.593 10.714 7.812 88 2HB PHE 13 2HB PHE 13 -5.379 11.397 9.212 89 HD1 PHE 13 HD1 PHE 13 -2.016 10.413 7.822 90 HD2 PHE 13 HD2 PHE 13 -4.212 11.470 11.370 91 HE1 PHE 13 HE1 PHE 13 -0.155 9.621 9.225 92 HE2 PHE 13 HE2 PHE 13 -2.344 10.666 12.754 93 HZ PHE 13 HZ PHE 13 -0.310 9.754 11.688 94 H LEU 14 H LEU 14 -3.161 12.065 5.926 95 HA LEU 14 HA LEU 14 -0.334 12.713 6.632 96 1HB LEU 14 1HB LEU 14 -1.191 12.023 3.793 97 2HB LEU 14 2HB LEU 14 0.309 11.654 4.618 98 HG LEU 14 HG LEU 14 -2.375 10.341 5.371 99 1HD1 LEU 14 1HD1 LEU 14 -1.636 8.351 4.053 100 2HD1 LEU 14 2HD1 LEU 14 -1.814 9.767 3.001 101 3HD1 LEU 14 3HD1 LEU 14 -0.189 9.226 3.491 102 1HD2 LEU 14 1HD2 LEU 14 0.528 9.533 6.069 103 2HD2 LEU 14 2HD2 LEU 14 -0.676 10.202 7.198 104 3HD2 LEU 14 3HD2 LEU 14 -0.936 8.605 6.481 105 H SER 15 H SER 15 1.004 14.039 5.170 106 HA SER 15 HA SER 15 -0.388 16.656 4.422 107 1HB SER 15 1HB SER 15 2.239 17.367 4.451 108 2HB SER 15 2HB SER 15 2.327 15.992 5.555 109 HG SER 15 HG SER 15 0.310 17.959 5.788 110 H GLU 16 H GLU 16 0.906 17.852 2.650 111 HA GLU 16 HA GLU 16 0.717 16.310 0.119 112 1HB GLU 16 1HB GLU 16 0.086 18.729 0.312 113 2HB GLU 16 2HB GLU 16 1.115 18.330 -1.051 114 1HG GLU 16 1HG GLU 16 3.128 19.244 0.252 115 2HG GLU 16 2HG GLU 16 2.042 19.703 1.553 116 H GLU 17 H GLU 17 3.348 17.935 1.881 117 HA GLU 17 HA GLU 17 5.560 17.029 0.130 118 1HB GLU 17 1HB GLU 17 5.828 19.032 1.529 119 2HB GLU 17 2HB GLU 17 5.687 18.088 2.999 120 1HG GLU 17 1HG GLU 17 8.062 18.561 1.280 121 2HG GLU 17 2HG GLU 17 7.845 16.846 1.586 122 H MET 18 H MET 18 3.976 15.783 3.020 123 HA MET 18 HA MET 18 5.859 13.665 3.766 124 1HB MET 18 1HB MET 18 4.222 14.304 5.410 125 2HB MET 18 2HB MET 18 2.875 14.036 4.319 126 1HG MET 18 1HG MET 18 3.617 11.483 4.334 127 2HG MET 18 2HG MET 18 2.752 12.149 5.728 128 1HE MET 18 1HE MET 18 4.823 9.410 6.636 129 2HE MET 18 2HE MET 18 4.719 10.358 8.149 130 3HE MET 18 3HE MET 18 3.326 10.312 7.030 131 H ILE 19 H ILE 19 3.189 13.876 1.473 132 HA ILE 19 HA ILE 19 2.893 11.020 0.833 133 HB ILE 19 HB ILE 19 2.068 13.531 -0.688 134 1HG1 ILE 19 1HG1 ILE 19 0.205 13.406 0.616 135 2HG1 ILE 19 2HG1 ILE 19 -0.206 11.899 -0.173 136 1HG2 ILE 19 1HG2 ILE 19 0.867 12.098 -2.355 137 2HG2 ILE 19 2HG2 ILE 19 2.601 11.790 -2.423 138 3HG2 ILE 19 3HG2 ILE 19 1.533 10.627 -1.605 139 1HD1 ILE 19 1HD1 ILE 19 1.373 12.094 2.458 140 2HD1 ILE 19 2HD1 ILE 19 -0.299 11.541 2.230 141 3HD1 ILE 19 3HD1 ILE 19 1.047 10.577 1.577 142 H ALA 20 H ALA 20 4.763 13.692 -0.605 143 HA ALA 20 HA ALA 20 5.879 12.393 -2.909 144 1HB ALA 20 1HB ALA 20 7.858 14.103 -2.501 145 2HB ALA 20 2HB ALA 20 6.231 14.710 -2.867 146 3HB ALA 20 3HB ALA 20 6.831 14.731 -1.189 147 H GLU 21 H GLU 21 6.947 12.378 0.472 148 HA GLU 21 HA GLU 21 9.561 11.051 0.004 149 1HB GLU 21 1HB GLU 21 8.000 11.573 2.584 150 2HB GLU 21 2HB GLU 21 9.298 12.541 1.914 151 1HG GLU 21 1HG GLU 21 10.658 10.154 2.183 152 2HG GLU 21 2HG GLU 21 9.443 9.917 3.427 153 H PHE 22 H PHE 22 6.300 10.047 0.888 154 HA PHE 22 HA PHE 22 6.789 7.297 1.749 155 1HB PHE 22 1HB PHE 22 4.399 8.883 0.903 156 2HB PHE 22 2HB PHE 22 4.258 7.185 0.530 157 HD1 PHE 22 HD1 PHE 22 5.578 5.812 2.833 158 HD2 PHE 22 HD2 PHE 22 3.123 9.348 2.830 159 HE1 PHE 22 HE1 PHE 22 4.901 5.357 5.153 160 HE2 PHE 22 HE2 PHE 22 2.453 8.870 5.150 161 HZ PHE 22 HZ PHE 22 3.345 6.884 6.318 162 H LYS 23 H LYS 23 5.922 8.681 -1.425 163 HA LYS 23 HA LYS 23 5.807 6.242 -3.000 164 1HB LYS 23 1HB LYS 23 5.218 8.805 -3.605 165 2HB LYS 23 2HB LYS 23 5.470 7.577 -4.827 166 1HG LYS 23 1HG LYS 23 7.770 9.372 -3.877 167 2HG LYS 23 2HG LYS 23 7.715 8.389 -5.327 168 1HD LYS 23 1HD LYS 23 5.550 10.052 -5.834 169 2HD LYS 23 2HD LYS 23 6.490 11.095 -4.780 170 1HE LYS 23 1HE LYS 23 8.294 11.314 -6.283 171 2HE LYS 23 2HE LYS 23 7.983 9.776 -7.091 172 1HZ LYS 23 1HZ LYS 23 7.205 11.291 -8.615 173 2HZ LYS 23 2HZ LYS 23 5.790 11.006 -7.813 174 3HZ LYS 23 3HZ LYS 23 6.658 12.375 -7.494 175 H ALA 24 H ALA 24 8.493 8.252 -1.936 176 HA ALA 24 HA ALA 24 10.719 7.463 -3.491 177 1HB ALA 24 1HB ALA 24 12.142 7.826 -1.483 178 2HB ALA 24 2HB ALA 24 10.901 9.085 -1.626 179 3HB ALA 24 3HB ALA 24 10.713 7.784 -0.423 180 H ALA 25 H ALA 25 9.622 5.777 -0.524 181 HA ALA 25 HA ALA 25 11.478 3.493 -0.791 182 1HB ALA 25 1HB ALA 25 10.242 2.529 1.141 183 2HB ALA 25 2HB ALA 25 10.652 4.231 1.426 184 3HB ALA 25 3HB ALA 25 8.982 3.779 1.000 185 H PHE 26 H PHE 26 8.146 4.134 -1.721 186 HA PHE 26 HA PHE 26 7.212 1.458 -2.413 187 1HB PHE 26 1HB PHE 26 6.407 4.073 -3.817 188 2HB PHE 26 2HB PHE 26 5.805 3.605 -2.249 189 HD1 PHE 26 HD1 PHE 26 6.265 0.594 -4.159 190 HD2 PHE 26 HD2 PHE 26 3.600 3.947 -3.753 191 HE1 PHE 26 HE1 PHE 26 4.489 -0.665 -5.308 192 HE2 PHE 26 HE2 PHE 26 1.823 2.657 -4.866 193 HZ PHE 26 HZ PHE 26 2.268 0.361 -5.662 194 H ASP 27 H ASP 27 9.321 3.762 -4.023 195 HA ASP 27 HA ASP 27 9.213 2.492 -6.726 196 1HB ASP 27 1HB ASP 27 10.727 4.855 -5.566 197 2HB ASP 27 2HB ASP 27 11.357 4.101 -7.013 198 H MET 28 H MET 28 11.166 2.263 -3.839 199 HA MET 28 HA MET 28 13.650 1.174 -4.629 200 1HB MET 28 1HB MET 28 12.388 1.350 -2.179 201 2HB MET 28 2HB MET 28 12.362 -0.389 -2.408 202 1HG MET 28 1HG MET 28 15.008 1.092 -2.830 203 2HG MET 28 2HG MET 28 14.428 0.779 -1.186 204 1HE MET 28 1HE MET 28 14.044 -2.338 -0.345 205 2HE MET 28 2HE MET 28 15.831 -2.374 -0.377 206 3HE MET 28 3HE MET 28 14.978 -0.863 0.055 207 H PHE 29 H PHE 29 10.602 -0.651 -4.219 208 HA PHE 29 HA PHE 29 11.755 -3.114 -5.591 209 1HB PHE 29 1HB PHE 29 8.907 -2.763 -4.461 210 2HB PHE 29 2HB PHE 29 9.625 -4.241 -5.040 211 HD1 PHE 29 HD1 PHE 29 12.481 -3.512 -3.652 212 HD2 PHE 29 HD2 PHE 29 8.426 -3.842 -2.246 213 HE1 PHE 29 HE1 PHE 29 13.295 -4.031 -1.387 214 HE2 PHE 29 HE2 PHE 29 9.262 -4.374 0.006 215 HZ PHE 29 HZ PHE 29 11.691 -4.461 0.442 216 H ASP 30 H ASP 30 9.333 -0.563 -5.989 217 HA ASP 30 HA ASP 30 8.420 -1.528 -8.677 218 1HB ASP 30 1HB ASP 30 7.022 -0.180 -6.847 219 2HB ASP 30 2HB ASP 30 7.727 1.233 -7.598 220 H ALA 31 H ALA 31 10.445 -1.573 -9.722 221 HA ALA 31 HA ALA 31 12.079 0.893 -10.170 222 1HB ALA 31 1HB ALA 31 13.477 -0.577 -11.630 223 2HB ALA 31 2HB ALA 31 13.182 -1.315 -10.043 224 3HB ALA 31 3HB ALA 31 12.297 -1.901 -11.476 225 H ASP 32 H ASP 32 10.752 -1.338 -12.604 226 HA ASP 32 HA ASP 32 9.587 1.003 -14.190 227 1HB ASP 32 1HB ASP 32 11.027 -1.350 -15.536 228 2HB ASP 32 2HB ASP 32 11.805 0.174 -15.177 229 H GLY 33 H GLY 33 8.281 -0.621 -12.309 230 1HA GLY 33 1HA GLY 33 6.874 -2.986 -13.365 231 2HA GLY 33 2HA GLY 33 6.350 -2.017 -11.984 232 H GLY 34 H GLY 34 5.210 -0.003 -12.402 233 1HA GLY 34 1HA GLY 34 4.224 1.070 -14.877 234 2HA GLY 34 2HA GLY 34 3.124 -0.264 -14.518 235 H GLY 35 H GLY 35 3.417 0.031 -11.608 236 1HA GLY 35 1HA GLY 35 1.171 1.942 -11.128 237 2HA GLY 35 2HA GLY 35 2.685 2.568 -10.472 238 H ASP 36 H ASP 36 1.750 -0.835 -10.677 239 HA ASP 36 HA ASP 36 1.415 -0.973 -7.637 240 1HB ASP 36 1HB ASP 36 -0.408 -2.317 -7.829 241 2HB ASP 36 2HB ASP 36 -0.546 -1.537 -9.390 242 H ILE 37 H ILE 37 1.946 -3.130 -6.723 243 HA ILE 37 HA ILE 37 4.250 -4.608 -8.084 244 HB ILE 37 HB ILE 37 5.623 -4.596 -6.042 245 1HG1 ILE 37 1HG1 ILE 37 4.240 -2.198 -4.811 246 2HG1 ILE 37 2HG1 ILE 37 3.421 -3.728 -4.588 247 1HG2 ILE 37 1HG2 ILE 37 6.587 -2.310 -6.329 248 2HG2 ILE 37 2HG2 ILE 37 6.093 -2.964 -7.897 249 3HG2 ILE 37 3HG2 ILE 37 5.087 -1.734 -7.096 250 1HD1 ILE 37 1HD1 ILE 37 6.299 -3.162 -3.671 251 2HD1 ILE 37 2HD1 ILE 37 4.851 -3.351 -2.659 252 3HD1 ILE 37 3HD1 ILE 37 5.488 -4.748 -3.557 253 H SER 38 H SER 38 4.806 -6.342 -6.045 254 HA SER 38 HA SER 38 2.331 -8.066 -5.906 255 1HB SER 38 1HB SER 38 5.056 -8.637 -6.205 256 2HB SER 38 2HB SER 38 4.751 -9.101 -4.529 257 HG SER 38 HG SER 38 3.091 -9.843 -6.708 258 H THR 39 H THR 39 1.405 -8.781 -4.014 259 HA THR 39 HA THR 39 1.501 -6.903 -1.664 260 HB THR 39 HB THR 39 -0.440 -8.291 -0.788 261 HG1 THR 39 HG1 THR 39 -1.451 -9.469 -2.594 262 1HG2 THR 39 1HG2 THR 39 -2.134 -7.360 -2.302 263 2HG2 THR 39 2HG2 THR 39 -0.846 -6.154 -2.081 264 3HG2 THR 39 3HG2 THR 39 -0.933 -7.102 -3.588 265 H LYS 40 H LYS 40 3.600 -9.130 -2.392 266 HA LYS 40 HA LYS 40 3.457 -10.992 -0.013 267 1HB LYS 40 1HB LYS 40 4.816 -11.014 -2.639 268 2HB LYS 40 2HB LYS 40 5.951 -11.388 -1.359 269 1HG LYS 40 1HG LYS 40 4.921 -13.416 -0.826 270 2HG LYS 40 2HG LYS 40 3.312 -12.863 -1.247 271 1HD LYS 40 1HD LYS 40 4.192 -14.668 -2.796 272 2HD LYS 40 2HD LYS 40 3.681 -13.201 -3.616 273 1HE LYS 40 1HE LYS 40 5.841 -12.586 -4.283 274 2HE LYS 40 2HE LYS 40 6.635 -13.356 -2.907 275 1HZ LYS 40 1HZ LYS 40 6.600 -15.398 -3.957 276 2HZ LYS 40 2HZ LYS 40 5.268 -15.075 -4.879 277 3HZ LYS 40 3HZ LYS 40 6.729 -14.416 -5.279 278 H GLU 41 H GLU 41 5.296 -8.257 -1.266 279 HA GLU 41 HA GLU 41 7.169 -8.178 1.117 280 1HB GLU 41 1HB GLU 41 8.560 -6.785 -0.077 281 2HB GLU 41 2HB GLU 41 7.262 -5.980 -0.935 282 1HG GLU 41 1HG GLU 41 7.073 -7.772 -2.574 283 2HG GLU 41 2HG GLU 41 7.994 -8.894 -1.587 284 H LEU 42 H LEU 42 4.399 -6.471 -0.277 285 HA LEU 42 HA LEU 42 4.129 -4.128 1.242 286 1HB LEU 42 1HB LEU 42 2.440 -5.218 -0.455 287 2HB LEU 42 2HB LEU 42 1.745 -6.033 0.930 288 HG LEU 42 HG LEU 42 1.165 -3.850 1.996 289 1HD1 LEU 42 1HD1 LEU 42 0.180 -3.878 -0.927 290 2HD1 LEU 42 2HD1 LEU 42 -0.433 -4.968 0.326 291 3HD1 LEU 42 3HD1 LEU 42 -0.669 -3.210 0.491 292 1HD2 LEU 42 1HD2 LEU 42 1.517 -1.674 0.884 293 2HD2 LEU 42 2HD2 LEU 42 3.096 -2.487 1.022 294 3HD2 LEU 42 3HD2 LEU 42 2.252 -2.461 -0.537 295 H GLY 43 H GLY 43 4.733 -3.955 3.276 296 1HA GLY 43 1HA GLY 43 3.819 -4.441 5.770 297 2HA GLY 43 2HA GLY 43 4.114 -6.138 5.334 298 H THR 44 H THR 44 6.324 -6.619 4.410 299 HA THR 44 HA THR 44 8.530 -6.085 6.048 300 HB THR 44 HB THR 44 8.409 -6.825 3.121 301 HG1 THR 44 HG1 THR 44 8.897 -7.973 5.586 302 1HG2 THR 44 1HG2 THR 44 10.882 -7.191 3.070 303 2HG2 THR 44 2HG2 THR 44 10.491 -5.463 3.188 304 3HG2 THR 44 3HG2 THR 44 11.052 -6.348 4.630 305 H VAL 45 H VAL 45 7.166 -4.131 3.457 306 HA VAL 45 HA VAL 45 9.378 -2.257 3.004 307 HB VAL 45 HB VAL 45 6.420 -1.644 2.523 308 1HG1 VAL 45 1HG1 VAL 45 8.333 -2.965 0.498 309 2HG1 VAL 45 2HG1 VAL 45 7.146 -3.870 1.446 310 3HG1 VAL 45 3HG1 VAL 45 6.593 -2.630 0.297 311 1HG2 VAL 45 1HG2 VAL 45 7.153 -0.077 0.801 312 2HG2 VAL 45 2HG2 VAL 45 8.082 0.320 2.265 313 3HG2 VAL 45 3HG2 VAL 45 8.855 -0.583 0.954 314 H MET 46 H MET 46 6.413 -2.080 4.996 315 HA MET 46 HA MET 46 6.772 0.541 6.166 316 1HB MET 46 1HB MET 46 5.376 -1.907 7.397 317 2HB MET 46 2HB MET 46 5.310 -0.290 8.073 318 1HG MET 46 1HG MET 46 3.917 0.553 6.342 319 2HG MET 46 2HG MET 46 4.456 -0.654 5.164 320 1HE MET 46 1HE MET 46 1.996 -1.899 8.929 321 2HE MET 46 2HE MET 46 3.694 -2.433 8.748 322 3HE MET 46 3HE MET 46 3.317 -0.689 8.870 323 NH1 ARG 47 NH1 ARG 47 14.129 -6.746 9.277 324 NH2 ARG 47 NH2 ARG 47 14.203 -6.194 11.479 325 H ARG 47 H ARG 47 8.123 -2.606 6.997 326 HA ARG 47 HA ARG 47 9.211 -1.962 9.663 327 1HB ARG 47 1HB ARG 47 8.969 -4.283 9.259 328 2HB ARG 47 2HB ARG 47 9.679 -4.193 7.653 329 1HG ARG 47 1HG ARG 47 11.267 -3.858 10.270 330 2HG ARG 47 2HG ARG 47 11.958 -3.754 8.649 331 1HD ARG 47 1HD ARG 47 11.838 -6.062 8.263 332 2HD ARG 47 2HD ARG 47 10.362 -6.270 9.201 333 HE ARG 47 HE ARG 47 11.690 -6.467 11.260 334 1HH1 ARG 47 1HH1 ARG 47 15.209 -6.382 11.411 335 2HH1 ARG 47 2HH1 ARG 47 13.692 -5.871 12.309 336 1HH2 ARG 47 1HH2 ARG 47 13.572 -6.816 8.418 337 2HH2 ARG 47 2HH2 ARG 47 15.136 -6.926 9.372 338 H MET 48 H MET 48 10.588 -2.002 6.380 339 HA MET 48 HA MET 48 13.300 -1.077 7.251 340 1HB MET 48 1HB MET 48 12.424 -1.003 4.334 341 2HB MET 48 2HB MET 48 12.598 -2.556 5.133 342 1HG MET 48 1HG MET 48 14.901 -0.526 5.235 343 2HG MET 48 2HG MET 48 14.965 -2.279 5.477 344 1HE MET 48 1HE MET 48 17.088 -1.765 2.376 345 2HE MET 48 2HE MET 48 16.470 -0.094 2.541 346 3HE MET 48 3HE MET 48 16.943 -1.017 3.998 347 H LEU 49 H LEU 49 10.431 0.535 7.122 348 HA LEU 49 HA LEU 49 11.549 3.188 6.134 349 1HB LEU 49 1HB LEU 49 8.753 2.234 6.914 350 2HB LEU 49 2HB LEU 49 9.118 3.946 6.921 351 HG LEU 49 HG LEU 49 9.692 2.275 4.415 352 1HD1 LEU 49 1HD1 LEU 49 7.404 2.800 3.557 353 2HD1 LEU 49 2HD1 LEU 49 7.310 1.793 5.013 354 3HD1 LEU 49 3HD1 LEU 49 6.958 3.536 5.117 355 1HD2 LEU 49 1HD2 LEU 49 8.996 5.265 4.795 356 2HD2 LEU 49 2HD2 LEU 49 10.605 4.602 4.418 357 3HD2 LEU 49 3HD2 LEU 49 9.297 4.460 3.235 358 H GLY 50 H GLY 50 10.515 1.447 9.023 359 1HA GLY 50 1HA GLY 50 12.238 2.136 11.001 360 2HA GLY 50 2HA GLY 50 11.465 3.716 10.842 361 H GLN 51 H GLN 51 10.527 0.289 11.158 362 HA GLN 51 HA GLN 51 8.578 1.016 13.417 363 1HB GLN 51 1HB GLN 51 7.739 0.138 10.861 364 2HB GLN 51 2HB GLN 51 7.722 -1.331 11.821 365 1HG GLN 51 1HG GLN 51 5.522 -0.441 12.020 366 2HG GLN 51 2HG GLN 51 6.278 -0.131 13.570 367 1HE2 GLN 51 1HE2 GLN 51 4.490 2.990 12.122 368 2HE2 GLN 51 2HE2 GLN 51 4.006 1.250 12.448 369 H ASN 52 H ASN 52 7.872 -1.824 13.649 370 HA ASN 52 HA ASN 52 10.387 -3.292 14.326 371 1HB ASN 52 1HB ASN 52 8.694 -2.849 16.782 372 2HB ASN 52 2HB ASN 52 9.637 -1.476 16.243 373 1HD2 ASN 52 1HD2 ASN 52 11.550 -3.834 18.652 374 2HD2 ASN 52 2HD2 ASN 52 9.932 -2.970 18.685 375 HA PRO 53 HA PRO 53 6.252 -5.765 14.145 376 1HB PRO 53 1HB PRO 53 5.301 -4.421 12.437 377 2HB PRO 53 2HB PRO 53 5.536 -5.933 11.541 378 1HG PRO 53 1HG PRO 53 7.416 -5.211 10.387 379 2HG PRO 53 2HG PRO 53 6.705 -3.601 10.644 380 1HD PRO 53 1HD PRO 53 9.236 -4.608 11.670 381 2HD PRO 53 2HD PRO 53 8.462 -3.052 12.095 382 H THR 54 H THR 54 5.625 -7.857 12.759 383 HA THR 54 HA THR 54 8.097 -9.647 12.573 384 HB THR 54 HB THR 54 5.511 -11.074 12.713 385 HG1 THR 54 HG1 THR 54 5.590 -10.574 15.086 386 1HG2 THR 54 1HG2 THR 54 6.652 -12.395 14.466 387 2HG2 THR 54 2HG2 THR 54 7.716 -12.231 13.051 388 3HG2 THR 54 3HG2 THR 54 8.012 -11.248 14.507 389 H LYS 55 H LYS 55 8.097 -11.277 10.927 390 HA LYS 55 HA LYS 55 7.179 -10.355 8.241 391 1HB LYS 55 1HB LYS 55 8.491 -12.066 7.305 392 2HB LYS 55 2HB LYS 55 9.387 -11.616 8.741 393 1HG LYS 55 1HG LYS 55 7.469 -14.017 8.678 394 2HG LYS 55 2HG LYS 55 8.622 -13.632 9.940 395 1HD LYS 55 1HD LYS 55 9.266 -14.600 7.082 396 2HD LYS 55 2HD LYS 55 10.489 -13.928 8.148 397 1HE LYS 55 1HE LYS 55 9.084 -16.597 8.341 398 2HE LYS 55 2HE LYS 55 10.778 -16.202 8.635 399 1HZ LYS 55 1HZ LYS 55 9.918 -16.622 10.736 400 2HZ LYS 55 2HZ LYS 55 9.839 -14.972 10.699 401 3HZ LYS 55 3HZ LYS 55 8.473 -15.870 10.459 402 H GLU 56 H GLU 56 6.259 -12.782 10.629 403 HA GLU 56 HA GLU 56 4.267 -14.266 9.094 404 1HB GLU 56 1HB GLU 56 3.875 -13.902 12.072 405 2HB GLU 56 2HB GLU 56 5.357 -14.664 11.529 406 1HG GLU 56 1HG GLU 56 2.481 -15.667 11.228 407 2HG GLU 56 2HG GLU 56 3.701 -16.242 10.104 408 H GLU 57 H GLU 57 4.177 -11.249 10.905 409 HA GLU 57 HA GLU 57 1.280 -10.737 10.907 410 1HB GLU 57 1HB GLU 57 1.809 -8.370 11.302 411 2HB GLU 57 2HB GLU 57 3.483 -8.611 10.846 412 1HG GLU 57 1HG GLU 57 3.626 -10.304 12.862 413 2HG GLU 57 2HG GLU 57 3.594 -8.582 13.202 414 H LEU 58 H LEU 58 3.888 -10.188 8.582 415 HA LEU 58 HA LEU 58 2.539 -8.602 6.571 416 1HB LEU 58 1HB LEU 58 5.046 -9.335 6.693 417 2HB LEU 58 2HB LEU 58 4.552 -10.819 5.907 418 HG LEU 58 HG LEU 58 4.305 -7.979 4.738 419 1HD1 LEU 58 1HD1 LEU 58 3.542 -10.606 3.315 420 2HD1 LEU 58 2HD1 LEU 58 2.359 -9.514 4.049 421 3HD1 LEU 58 3HD1 LEU 58 3.361 -8.946 2.692 422 1HD2 LEU 58 1HD2 LEU 58 6.013 -8.693 3.103 423 2HD2 LEU 58 2HD2 LEU 58 6.644 -9.006 4.739 424 3HD2 LEU 58 3HD2 LEU 58 6.024 -10.349 3.761 425 H ASP 59 H ASP 59 2.470 -12.047 7.296 426 HA ASP 59 HA ASP 59 1.079 -12.974 4.881 427 1HB ASP 59 1HB ASP 59 1.292 -14.334 7.628 428 2HB ASP 59 2HB ASP 59 0.569 -15.074 6.218 429 H ALA 60 H ALA 60 0.011 -11.897 8.083 430 HA ALA 60 HA ALA 60 -2.860 -12.440 7.909 431 1HB ALA 60 1HB ALA 60 -3.105 -10.700 9.674 432 2HB ALA 60 2HB ALA 60 -1.774 -11.814 10.043 433 3HB ALA 60 3HB ALA 60 -1.421 -10.176 9.436 434 H ILE 61 H ILE 61 -0.944 -9.525 7.103 435 HA ILE 61 HA ILE 61 -2.898 -7.752 6.112 436 HB ILE 61 HB ILE 61 0.017 -8.083 5.527 437 1HG1 ILE 61 1HG1 ILE 61 -0.164 -5.460 5.908 438 2HG1 ILE 61 2HG1 ILE 61 -1.799 -5.778 6.447 439 1HG2 ILE 61 1HG2 ILE 61 0.051 -6.376 3.689 440 2HG2 ILE 61 2HG2 ILE 61 -0.833 -7.815 3.185 441 3HG2 ILE 61 3HG2 ILE 61 -1.729 -6.351 3.654 442 1HD1 ILE 61 1HD1 ILE 61 0.714 -6.929 7.795 443 2HD1 ILE 61 2HD1 ILE 61 -0.366 -5.659 8.408 444 3HD1 ILE 61 3HD1 ILE 61 -0.964 -7.328 8.255 445 H ILE 62 H ILE 62 -1.519 -10.647 4.675 446 HA ILE 62 HA ILE 62 -2.509 -10.292 1.910 447 HB ILE 62 HB ILE 62 -0.696 -12.020 3.088 448 1HG1 ILE 62 1HG1 ILE 62 -0.770 -13.225 0.705 449 2HG1 ILE 62 2HG1 ILE 62 -1.975 -12.023 0.295 450 1HG2 ILE 62 1HG2 ILE 62 -1.475 -14.373 2.703 451 2HG2 ILE 62 2HG2 ILE 62 -2.477 -13.586 3.919 452 3HG2 ILE 62 3HG2 ILE 62 -3.098 -13.785 2.265 453 1HD1 ILE 62 1HD1 ILE 62 0.915 -11.359 1.112 454 2HD1 ILE 62 2HD1 ILE 62 0.181 -11.229 -0.500 455 3HD1 ILE 62 3HD1 ILE 62 -0.361 -10.149 0.805 456 H GLU 63 H GLU 63 -3.647 -12.118 4.753 457 HA GLU 63 HA GLU 63 -5.997 -13.343 3.558 458 1HB GLU 63 1HB GLU 63 -5.122 -12.835 6.401 459 2HB GLU 63 2HB GLU 63 -5.386 -14.346 5.554 460 1HG GLU 63 1HG GLU 63 -7.916 -13.924 5.670 461 2HG GLU 63 2HG GLU 63 -7.601 -12.465 6.594 462 H GLU 64 H GLU 64 -5.416 -10.121 4.791 463 HA GLU 64 HA GLU 64 -8.279 -9.356 5.116 464 1HB GLU 64 1HB GLU 64 -5.631 -7.957 5.509 465 2HB GLU 64 2HB GLU 64 -7.042 -6.948 5.261 466 1HG GLU 64 1HG GLU 64 -6.422 -7.446 7.711 467 2HG GLU 64 2HG GLU 64 -6.873 -9.121 7.447 468 H VAL 65 H VAL 65 -5.664 -8.575 2.817 469 HA VAL 65 HA VAL 65 -7.416 -6.801 1.140 470 HB VAL 65 HB VAL 65 -4.686 -6.811 1.621 471 1HG1 VAL 65 1HG1 VAL 65 -6.014 -5.382 -0.770 472 2HG1 VAL 65 2HG1 VAL 65 -6.218 -4.874 0.917 473 3HG1 VAL 65 3HG1 VAL 65 -4.602 -4.841 0.172 474 1HG2 VAL 65 1HG2 VAL 65 -3.439 -7.218 -0.444 475 2HG2 VAL 65 2HG2 VAL 65 -4.367 -8.701 -0.118 476 3HG2 VAL 65 3HG2 VAL 65 -4.922 -7.573 -1.362 477 H ASP 66 H ASP 66 -5.386 -9.682 0.429 478 HA ASP 66 HA ASP 66 -7.234 -10.528 -1.811 479 1HB ASP 66 1HB ASP 66 -4.514 -10.644 -1.697 480 2HB ASP 66 2HB ASP 66 -4.856 -12.232 -1.050 481 H GLU 67 H GLU 67 -8.709 -10.589 0.284 482 HA GLU 67 HA GLU 67 -8.791 -13.138 1.824 483 1HB GLU 67 1HB GLU 67 -9.852 -11.093 2.711 484 2HB GLU 67 2HB GLU 67 -10.978 -11.042 1.370 485 1HG GLU 67 1HG GLU 67 -11.661 -13.516 2.268 486 2HG GLU 67 2HG GLU 67 -10.933 -12.941 3.758 487 H ASP 68 H ASP 68 -10.244 -11.856 -1.140 488 HA ASP 68 HA ASP 68 -11.344 -14.627 -1.840 489 1HB ASP 68 1HB ASP 68 -13.293 -13.367 -1.725 490 2HB ASP 68 2HB ASP 68 -12.525 -11.878 -2.226 491 H GLY 69 H GLY 69 -10.354 -11.601 -3.499 492 1HA GLY 69 1HA GLY 69 -8.397 -13.059 -5.287 493 2HA GLY 69 2HA GLY 69 -9.831 -12.460 -6.127 494 H SER 70 H SER 70 -7.829 -11.367 -7.139 495 HA SER 70 HA SER 70 -6.887 -9.219 -7.758 496 1HB SER 70 1HB SER 70 -7.999 -7.870 -5.277 497 2HB SER 70 2HB SER 70 -9.121 -8.393 -6.537 498 HG SER 70 HG SER 70 -8.402 -6.328 -6.931 499 H GLY 71 H GLY 71 -4.887 -10.233 -7.349 500 1HA GLY 71 1HA GLY 71 -2.935 -10.908 -5.920 501 2HA GLY 71 2HA GLY 71 -3.583 -9.904 -4.619 502 H THR 72 H THR 72 -4.151 -7.596 -6.216 503 HA THR 72 HA THR 72 -1.326 -6.541 -6.653 504 HB THR 72 HB THR 72 -2.330 -4.914 -8.387 505 HG1 THR 72 HG1 THR 72 -4.154 -6.945 -8.906 506 1HG2 THR 72 1HG2 THR 72 -0.812 -6.992 -8.965 507 2HG2 THR 72 2HG2 THR 72 -2.318 -7.767 -9.501 508 3HG2 THR 72 3HG2 THR 72 -1.766 -6.257 -10.272 509 H ILE 73 H ILE 73 -0.932 -4.491 -5.911 510 HA ILE 73 HA ILE 73 -3.128 -2.954 -4.528 511 HB ILE 73 HB ILE 73 -2.066 -4.609 -2.891 512 1HG1 ILE 73 1HG1 ILE 73 -2.690 -3.277 -1.087 513 2HG1 ILE 73 2HG1 ILE 73 -3.496 -2.477 -2.424 514 1HG2 ILE 73 1HG2 ILE 73 0.012 -4.026 -1.696 515 2HG2 ILE 73 2HG2 ILE 73 0.380 -4.230 -3.414 516 3HG2 ILE 73 3HG2 ILE 73 0.267 -2.594 -2.720 517 1HD1 ILE 73 1HD1 ILE 73 -1.562 -1.314 -0.573 518 2HD1 ILE 73 2HD1 ILE 73 -0.934 -1.177 -2.229 519 3HD1 ILE 73 3HD1 ILE 73 -2.535 -0.507 -1.833 520 H ASP 74 H ASP 74 -2.899 -0.818 -4.657 521 HA ASP 74 HA ASP 74 -0.477 0.267 -6.180 522 1HB ASP 74 1HB ASP 74 -1.895 2.021 -7.099 523 2HB ASP 74 2HB ASP 74 -2.571 0.448 -7.453 524 H PHE 75 H PHE 75 -0.629 2.884 -5.778 525 HA PHE 75 HA PHE 75 0.582 3.158 -3.077 526 1HB PHE 75 1HB PHE 75 0.109 5.281 -5.251 527 2HB PHE 75 2HB PHE 75 1.523 4.268 -5.129 528 HD1 PHE 75 HD1 PHE 75 1.628 4.470 -1.910 529 HD2 PHE 75 HD2 PHE 75 1.269 7.409 -5.033 530 HE1 PHE 75 HE1 PHE 75 2.775 6.127 -0.498 531 HE2 PHE 75 HE2 PHE 75 2.454 9.040 -3.619 532 HZ PHE 75 HZ PHE 75 3.145 8.426 -1.329 533 H GLU 76 H GLU 76 -2.516 3.815 -4.545 534 HA GLU 76 HA GLU 76 -3.598 5.748 -2.617 535 1HB GLU 76 1HB GLU 76 -4.999 3.792 -4.506 536 2HB GLU 76 2HB GLU 76 -5.884 4.870 -3.446 537 1HG GLU 76 1HG GLU 76 -5.853 6.089 -5.460 538 2HG GLU 76 2HG GLU 76 -4.260 5.520 -5.927 539 H GLU 77 H GLU 77 -4.480 2.307 -2.991 540 HA GLU 77 HA GLU 77 -5.598 1.833 -0.347 541 1HB GLU 77 1HB GLU 77 -4.531 0.033 -2.513 542 2HB GLU 77 2HB GLU 77 -4.631 -0.655 -0.904 543 1HG GLU 77 1HG GLU 77 -7.119 0.024 -0.832 544 2HG GLU 77 2HG GLU 77 -6.975 0.567 -2.496 545 H PHE 78 H PHE 78 -2.300 2.026 -1.510 546 HA PHE 78 HA PHE 78 -0.868 0.690 0.631 547 1HB PHE 78 1HB PHE 78 -0.010 2.919 -1.288 548 2HB PHE 78 2HB PHE 78 0.282 1.207 -1.443 549 HD1 PHE 78 HD1 PHE 78 1.986 0.090 0.165 550 HD2 PHE 78 HD2 PHE 78 1.452 4.358 0.068 551 HE1 PHE 78 HE1 PHE 78 4.189 0.401 1.220 552 HE2 PHE 78 HE2 PHE 78 3.674 4.650 1.086 553 HZ PHE 78 HZ PHE 78 5.049 2.677 1.656 554 H LEU 79 H LEU 79 -1.891 4.081 0.228 555 HA LEU 79 HA LEU 79 -0.858 5.102 2.802 556 1HB LEU 79 1HB LEU 79 -3.255 6.300 1.318 557 2HB LEU 79 2HB LEU 79 -2.134 7.109 2.392 558 HG LEU 79 HG LEU 79 -1.880 6.493 -0.537 559 1HD1 LEU 79 1HD1 LEU 79 -0.647 8.666 -0.543 560 2HD1 LEU 79 2HD1 LEU 79 -2.192 8.828 0.312 561 3HD1 LEU 79 3HD1 LEU 79 -0.674 8.718 1.238 562 1HD2 LEU 79 1HD2 LEU 79 0.639 6.368 1.254 563 2HD2 LEU 79 2HD2 LEU 79 -0.016 5.037 0.268 564 3HD2 LEU 79 3HD2 LEU 79 0.636 6.479 -0.525 565 H VAL 80 H VAL 80 -3.829 3.551 1.733 566 HA VAL 80 HA VAL 80 -5.534 4.171 4.030 567 HB VAL 80 HB VAL 80 -5.788 1.825 2.078 568 1HG1 VAL 80 1HG1 VAL 80 -8.197 1.734 2.758 569 2HG1 VAL 80 2HG1 VAL 80 -7.144 1.382 4.134 570 3HG1 VAL 80 3HG1 VAL 80 -7.913 2.980 4.001 571 1HG2 VAL 80 1HG2 VAL 80 -7.216 4.564 2.000 572 2HG2 VAL 80 2HG2 VAL 80 -5.930 4.045 0.886 573 3HG2 VAL 80 3HG2 VAL 80 -7.485 3.201 0.886 574 H MET 81 H MET 81 -3.142 1.683 3.366 575 HA MET 81 HA MET 81 -3.873 -0.141 5.601 576 1HB MET 81 1HB MET 81 -2.149 -0.283 3.283 577 2HB MET 81 2HB MET 81 -2.730 -1.569 4.322 578 1HG MET 81 1HG MET 81 -0.326 -0.054 5.402 579 2HG MET 81 2HG MET 81 -0.077 -0.997 3.926 580 1HE MET 81 1HE MET 81 -2.861 -1.587 6.464 581 2HE MET 81 2HE MET 81 -2.466 -3.151 7.237 582 3HE MET 81 3HE MET 81 -1.708 -1.646 7.835 583 H MET 82 H MET 82 -1.397 2.341 5.018 584 HA MET 82 HA MET 82 0.146 1.901 7.494 585 1HB MET 82 1HB MET 82 0.196 3.920 5.268 586 2HB MET 82 2HB MET 82 0.769 4.514 6.816 587 1HG MET 82 1HG MET 82 2.577 3.532 5.267 588 2HG MET 82 2HG MET 82 1.875 1.931 5.551 589 1HE MET 82 1HE MET 82 4.135 4.888 7.727 590 2HE MET 82 2HE MET 82 5.226 3.473 7.645 591 3HE MET 82 3HE MET 82 4.435 4.074 6.159 592 H VAL 83 H VAL 83 -2.570 3.953 6.583 593 HA VAL 83 HA VAL 83 -2.627 5.579 9.068 594 HB VAL 83 HB VAL 83 -4.783 5.239 6.921 595 1HG1 VAL 83 1HG1 VAL 83 -5.837 7.304 7.859 596 2HG1 VAL 83 2HG1 VAL 83 -5.839 6.003 9.058 597 3HG1 VAL 83 3HG1 VAL 83 -4.657 7.326 9.195 598 1HG2 VAL 83 1HG2 VAL 83 -2.767 7.548 7.327 599 2HG2 VAL 83 2HG2 VAL 83 -2.736 6.363 6.000 600 3HG2 VAL 83 3HG2 VAL 83 -4.082 7.506 6.124 601 NH1 ARG 84 NH1 ARG 84 -10.058 -0.961 7.248 602 NH2 ARG 84 NH2 ARG 84 -10.178 0.216 5.309 603 H ARG 84 H ARG 84 -4.157 2.623 7.885 604 HA ARG 84 HA ARG 84 -6.190 2.222 9.996 605 1HB ARG 84 1HB ARG 84 -5.547 0.916 7.600 606 2HB ARG 84 2HB ARG 84 -4.999 -0.243 8.803 607 1HG ARG 84 1HG ARG 84 -7.239 -0.893 8.404 608 2HG ARG 84 2HG ARG 84 -7.319 -0.041 9.948 609 1HD ARG 84 1HD ARG 84 -9.108 1.028 8.915 610 2HD ARG 84 2HD ARG 84 -7.834 2.111 8.361 611 HE ARG 84 HE ARG 84 -7.941 1.080 6.112 612 1HH1 ARG 84 1HH1 ARG 84 -11.007 -0.355 5.107 613 2HH1 ARG 84 2HH1 ARG 84 -9.753 0.920 4.697 614 1HH2 ARG 84 1HH2 ARG 84 -9.665 -1.033 8.193 615 2HH2 ARG 84 2HH2 ARG 84 -10.769 -1.572 6.830 616 H GLN 85 H GLN 85 -2.778 1.298 9.618 617 HA GLN 85 HA GLN 85 -2.699 -0.466 12.041 618 1HB GLN 85 1HB GLN 85 -0.069 0.469 10.985 619 2HB GLN 85 2HB GLN 85 -1.111 -0.201 9.741 620 1HG GLN 85 1HG GLN 85 0.073 -1.594 12.175 621 2HG GLN 85 2HG GLN 85 0.150 -2.066 10.490 622 1HE2 GLN 85 1HE2 GLN 85 -2.469 -4.059 12.614 623 2HE2 GLN 85 2HE2 GLN 85 -0.863 -3.335 13.125 624 H MET 86 H MET 86 -1.702 2.814 11.149 625 HA MET 86 HA MET 86 -0.021 3.533 13.390 626 1HB MET 86 1HB MET 86 -1.833 5.681 12.258 627 2HB MET 86 2HB MET 86 -0.756 4.865 11.138 628 1HG MET 86 1HG MET 86 0.954 5.500 13.330 629 2HG MET 86 2HG MET 86 0.873 6.325 11.765 630 1HE MET 86 1HE MET 86 0.950 9.275 14.459 631 2HE MET 86 2HE MET 86 1.502 7.651 14.966 632 3HE MET 86 3HE MET 86 1.927 8.269 13.343 633 H LYS 87 H LYS 87 -3.538 3.947 12.940 634 HA LYS 87 HA LYS 87 -4.144 5.100 15.588 635 1HB LYS 87 1HB LYS 87 -6.077 3.487 13.821 636 2HB LYS 87 2HB LYS 87 -6.519 4.565 15.129 637 1HG LYS 87 1HG LYS 87 -4.973 6.207 13.391 638 2HG LYS 87 2HG LYS 87 -5.856 5.165 12.294 639 1HD LYS 87 1HD LYS 87 -8.030 5.940 13.136 640 2HD LYS 87 2HD LYS 87 -7.284 6.680 14.543 641 1HE LYS 87 1HE LYS 87 -6.114 8.372 13.056 642 2HE LYS 87 2HE LYS 87 -6.924 7.687 11.645 643 1HZ LYS 87 1HZ LYS 87 -8.001 9.379 13.747 644 2HZ LYS 87 2HZ LYS 87 -8.454 9.246 12.164 645 3HZ LYS 87 3HZ LYS 87 -9.014 8.161 13.278 646 H GLU 88 H GLU 88 -4.049 1.806 14.263 647 HA GLU 88 HA GLU 88 -3.991 -0.365 15.290 648 1HB GLU 88 1HB GLU 88 -1.984 0.951 16.416 649 2HB GLU 88 2HB GLU 88 -2.984 0.924 17.855 650 1HG GLU 88 1HG GLU 88 -3.105 -1.761 17.193 651 2HG GLU 88 2HG GLU 88 -1.561 -1.358 16.461 652 H ASP 89 H ASP 89 -6.412 0.416 15.106 653 HA ASP 89 HA ASP 89 -8.108 1.050 17.311 654 1HB ASP 89 1HB ASP 89 -8.568 0.198 14.652 655 2HB ASP 89 2HB ASP 89 -9.353 -1.034 15.613 656 H ALA 90 H ALA 90 -9.045 -0.049 18.945 657 HA ALA 90 HA ALA 90 -8.753 -3.026 19.308 658 1HB ALA 90 1HB ALA 90 -7.179 -1.051 21.038 659 2HB ALA 90 2HB ALA 90 -7.819 -2.532 21.777 660 3HB ALA 90 3HB ALA 90 -6.676 -2.643 20.416 Start of MODEL 34 Raw file had 660 H/Q atoms Start of MODEL 34 1 1H ALA 1 1H ALA 1 -20.759 -0.821 2.815 2 2H ALA 1 2H ALA 1 -21.606 -2.220 3.206 3 3H ALA 1 3H ALA 1 -20.380 -2.273 2.057 4 HA ALA 1 HA ALA 1 -22.302 -2.343 0.820 5 1HB ALA 1 1HB ALA 1 -24.131 -1.862 2.160 6 2HB ALA 1 2HB ALA 1 -23.330 -0.525 3.007 7 3HB ALA 1 3HB ALA 1 -24.023 -0.264 1.386 8 H SER 2 H SER 2 -21.696 1.000 1.960 9 HA SER 2 HA SER 2 -20.439 1.737 -0.735 10 1HB SER 2 1HB SER 2 -23.003 2.339 -0.407 11 2HB SER 2 2HB SER 2 -22.389 3.669 0.577 12 HG SER 2 HG SER 2 -21.012 3.311 -1.769 13 H MET 3 H MET 3 -18.556 1.397 0.744 14 HA MET 3 HA MET 3 -17.737 4.070 1.979 15 1HB MET 3 1HB MET 3 -18.283 2.698 3.928 16 2HB MET 3 2HB MET 3 -17.339 1.346 3.329 17 1HG MET 3 1HG MET 3 -15.725 3.864 3.645 18 2HG MET 3 2HG MET 3 -15.342 2.200 4.116 19 1HE MET 3 1HE MET 3 -17.912 1.331 5.397 20 2HE MET 3 2HE MET 3 -16.847 1.130 6.819 21 3HE MET 3 3HE MET 3 -18.352 2.085 6.962 22 H THR 4 H THR 4 -17.327 3.208 -0.598 23 HA THR 4 HA THR 4 -14.508 2.193 -0.886 24 HB THR 4 HB THR 4 -15.839 3.405 -3.278 25 HG1 THR 4 HG1 THR 4 -17.588 2.468 -2.396 26 1HG2 THR 4 1HG2 THR 4 -15.063 1.369 -4.433 27 2HG2 THR 4 2HG2 THR 4 -13.697 2.097 -3.559 28 3HG2 THR 4 3HG2 THR 4 -14.500 0.643 -2.912 29 H ASP 5 H ASP 5 -15.474 4.906 0.403 30 HA ASP 5 HA ASP 5 -13.637 6.792 -1.146 31 1HB ASP 5 1HB ASP 5 -15.781 7.512 0.936 32 2HB ASP 5 2HB ASP 5 -14.727 8.654 0.132 33 H GLN 6 H GLN 6 -14.220 5.229 1.936 34 HA GLN 6 HA GLN 6 -12.543 6.493 3.827 35 1HB GLN 6 1HB GLN 6 -13.826 4.014 3.719 36 2HB GLN 6 2HB GLN 6 -12.139 3.531 3.755 37 1HG GLN 6 1HG GLN 6 -11.768 4.867 5.856 38 2HG GLN 6 2HG GLN 6 -12.932 3.572 6.044 39 1HE2 GLN 6 1HE2 GLN 6 -14.660 6.351 7.719 40 2HE2 GLN 6 2HE2 GLN 6 -13.417 5.025 7.972 41 H GLN 7 H GLN 7 -11.600 4.603 1.010 42 HA GLN 7 HA GLN 7 -8.825 4.074 1.344 43 1HB GLN 7 1HB GLN 7 -9.560 5.298 -1.317 44 2HB GLN 7 2HB GLN 7 -8.621 3.863 -0.944 45 1HG GLN 7 1HG GLN 7 -11.683 4.101 -0.904 46 2HG GLN 7 2HG GLN 7 -10.712 3.219 -2.064 47 1HE2 GLN 7 1HE2 GLN 7 -11.484 0.347 -0.029 48 2HE2 GLN 7 2HE2 GLN 7 -11.687 1.223 -1.629 49 H ALA 8 H ALA 8 -10.113 7.057 -0.182 50 HA ALA 8 HA ALA 8 -7.564 8.520 -0.083 51 1HB ALA 8 1HB ALA 8 -9.299 10.536 -0.561 52 2HB ALA 8 2HB ALA 8 -8.869 9.344 -1.802 53 3HB ALA 8 3HB ALA 8 -10.403 9.185 -0.910 54 H GLU 9 H GLU 9 -10.362 8.292 2.035 55 HA GLU 9 HA GLU 9 -10.231 10.565 3.722 56 1HB GLU 9 1HB GLU 9 -11.793 8.421 3.808 57 2HB GLU 9 2HB GLU 9 -10.658 7.845 5.013 58 1HG GLU 9 1HG GLU 9 -11.125 10.295 6.122 59 2HG GLU 9 2HG GLU 9 -12.598 10.190 5.172 60 H ALA 10 H ALA 10 -8.116 7.744 3.651 61 HA ALA 10 HA ALA 10 -6.699 8.165 6.201 62 1HB ALA 10 1HB ALA 10 -5.066 6.495 5.337 63 2HB ALA 10 2HB ALA 10 -6.737 5.951 5.092 64 3HB ALA 10 3HB ALA 10 -5.794 6.576 3.715 65 NH1 ARG 11 NH1 ARG 11 -4.491 11.146 -3.216 66 NH2 ARG 11 NH2 ARG 11 -2.683 12.423 -2.708 67 H ARG 11 H ARG 11 -5.972 8.991 2.811 68 HA ARG 11 HA ARG 11 -3.373 10.259 3.076 69 1HB ARG 11 1HB ARG 11 -5.038 9.781 0.939 70 2HB ARG 11 2HB ARG 11 -3.578 10.759 0.897 71 1HG ARG 11 1HG ARG 11 -6.340 11.992 1.448 72 2HG ARG 11 2HG ARG 11 -4.837 12.859 1.130 73 1HD ARG 11 1HD ARG 11 -5.782 10.864 -0.979 74 2HD ARG 11 2HD ARG 11 -6.664 12.383 -0.837 75 HE ARG 11 HE ARG 11 -4.353 13.565 -1.196 76 1HH1 ARG 11 1HH1 ARG 11 -2.230 11.958 -3.503 77 2HH1 ARG 11 2HH1 ARG 11 -2.276 13.151 -2.110 78 1HH2 ARG 11 1HH2 ARG 11 -5.406 10.788 -2.922 79 2HH2 ARG 11 2HH2 ARG 11 -3.965 10.875 -4.055 80 H ALA 12 H ALA 12 -6.582 11.348 3.964 81 HA ALA 12 HA ALA 12 -5.827 14.231 4.327 82 1HB ALA 12 1HB ALA 12 -8.187 14.521 5.062 83 2HB ALA 12 2HB ALA 12 -8.099 13.633 3.528 84 3HB ALA 12 3HB ALA 12 -8.446 12.759 5.041 85 H PHE 13 H PHE 13 -4.491 12.033 5.935 86 HA PHE 13 HA PHE 13 -5.057 13.131 8.737 87 1HB PHE 13 1HB PHE 13 -5.404 10.646 8.465 88 2HB PHE 13 2HB PHE 13 -3.736 10.450 7.994 89 HD1 PHE 13 HD1 PHE 13 -4.769 8.911 10.274 90 HD2 PHE 13 HD2 PHE 13 -3.170 12.908 10.284 91 HE1 PHE 13 HE1 PHE 13 -4.145 8.669 12.643 92 HE2 PHE 13 HE2 PHE 13 -2.442 12.599 12.614 93 HZ PHE 13 HZ PHE 13 -2.979 10.507 13.815 94 H LEU 14 H LEU 14 -2.588 12.197 6.369 95 HA LEU 14 HA LEU 14 -0.389 13.707 7.855 96 1HB LEU 14 1HB LEU 14 0.383 11.547 7.198 97 2HB LEU 14 2HB LEU 14 1.154 12.700 6.130 98 HG LEU 14 HG LEU 14 -1.402 11.481 5.069 99 1HD1 LEU 14 1HD1 LEU 14 1.160 9.768 5.231 100 2HD1 LEU 14 2HD1 LEU 14 -0.272 9.518 6.246 101 3HD1 LEU 14 3HD1 LEU 14 -0.390 9.308 4.481 102 1HD2 LEU 14 1HD2 LEU 14 -0.197 11.498 2.925 103 2HD2 LEU 14 2HD2 LEU 14 0.111 13.062 3.718 104 3HD2 LEU 14 3HD2 LEU 14 1.361 11.809 3.733 105 H SER 15 H SER 15 1.085 14.925 6.274 106 HA SER 15 HA SER 15 -0.537 17.130 5.078 107 1HB SER 15 1HB SER 15 1.752 18.192 4.671 108 2HB SER 15 2HB SER 15 1.340 17.845 6.353 109 HG SER 15 HG SER 15 3.425 17.057 5.021 110 H GLU 16 H GLU 16 0.129 18.037 2.934 111 HA GLU 16 HA GLU 16 -0.255 16.105 0.748 112 1HB GLU 16 1HB GLU 16 -0.246 17.925 -0.767 113 2HB GLU 16 2HB GLU 16 -1.055 18.481 0.686 114 1HG GLU 16 1HG GLU 16 1.806 19.209 -0.208 115 2HG GLU 16 2HG GLU 16 1.168 19.636 1.371 116 H GLU 17 H GLU 17 2.486 18.156 1.724 117 HA GLU 17 HA GLU 17 4.408 17.227 -0.285 118 1HB GLU 17 1HB GLU 17 5.434 18.201 2.396 119 2HB GLU 17 2HB GLU 17 6.114 18.416 0.796 120 1HG GLU 17 1HG GLU 17 3.836 19.867 0.399 121 2HG GLU 17 2HG GLU 17 3.872 19.973 2.151 122 H MET 18 H MET 18 3.523 16.086 2.929 123 HA MET 18 HA MET 18 5.684 14.210 3.457 124 1HB MET 18 1HB MET 18 4.234 14.811 5.291 125 2HB MET 18 2HB MET 18 2.790 14.281 4.448 126 1HG MET 18 1HG MET 18 3.128 12.011 4.953 127 2HG MET 18 2HG MET 18 4.893 12.151 4.968 128 1HE MET 18 1HE MET 18 5.359 11.575 8.571 129 2HE MET 18 2HE MET 18 4.239 10.522 7.656 130 3HE MET 18 3HE MET 18 5.695 11.183 6.856 131 H ILE 19 H ILE 19 2.691 13.964 1.610 132 HA ILE 19 HA ILE 19 2.557 11.126 1.054 133 HB ILE 19 HB ILE 19 1.741 13.413 -0.811 134 1HG1 ILE 19 1HG1 ILE 19 0.581 13.197 1.559 135 2HG1 ILE 19 2HG1 ILE 19 -0.413 13.414 0.135 136 1HG2 ILE 19 1HG2 ILE 19 0.316 11.739 -2.010 137 2HG2 ILE 19 2HG2 ILE 19 2.013 11.272 -2.101 138 3HG2 ILE 19 3HG2 ILE 19 0.931 10.433 -0.967 139 1HD1 ILE 19 1HD1 ILE 19 0.003 10.718 1.555 140 2HD1 ILE 19 2HD1 ILE 19 -1.460 11.724 1.534 141 3HD1 ILE 19 3HD1 ILE 19 -0.908 10.939 0.036 142 H ALA 20 H ALA 20 4.323 13.743 -0.608 143 HA ALA 20 HA ALA 20 5.438 12.326 -2.845 144 1HB ALA 20 1HB ALA 20 6.677 14.645 -1.253 145 2HB ALA 20 2HB ALA 20 7.233 14.100 -2.848 146 3HB ALA 20 3HB ALA 20 5.597 14.781 -2.661 147 H GLU 21 H GLU 21 6.430 12.428 0.537 148 HA GLU 21 HA GLU 21 9.124 11.288 0.253 149 1HB GLU 21 1HB GLU 21 7.656 10.890 2.854 150 2HB GLU 21 2HB GLU 21 7.840 12.543 2.303 151 1HG GLU 21 1HG GLU 21 10.445 11.797 2.005 152 2HG GLU 21 2HG GLU 21 9.990 10.561 3.165 153 H PHE 22 H PHE 22 5.939 9.918 1.053 154 HA PHE 22 HA PHE 22 6.735 7.137 1.530 155 1HB PHE 22 1HB PHE 22 4.044 8.302 0.611 156 2HB PHE 22 2HB PHE 22 4.273 6.606 0.942 157 HD1 PHE 22 HD1 PHE 22 2.288 8.358 2.420 158 HD2 PHE 22 HD2 PHE 22 6.394 7.462 3.353 159 HE1 PHE 22 HE1 PHE 22 1.847 8.769 4.804 160 HE2 PHE 22 HE2 PHE 22 5.919 7.827 5.740 161 HZ PHE 22 HZ PHE 22 3.654 8.495 6.469 162 H LYS 23 H LYS 23 5.960 9.023 -1.340 163 HA LYS 23 HA LYS 23 5.651 6.880 -3.318 164 1HB LYS 23 1HB LYS 23 6.796 9.620 -4.049 165 2HB LYS 23 2HB LYS 23 5.134 9.486 -3.518 166 1HG LYS 23 1HG LYS 23 6.436 8.461 -6.063 167 2HG LYS 23 2HG LYS 23 5.061 7.561 -5.453 168 1HD LYS 23 1HD LYS 23 4.841 10.603 -5.838 169 2HD LYS 23 2HD LYS 23 3.556 9.414 -5.712 170 1HE LYS 23 1HE LYS 23 5.512 9.475 -8.089 171 2HE LYS 23 2HE LYS 23 4.066 8.473 -7.953 172 1HZ LYS 23 1HZ LYS 23 2.858 10.739 -7.723 173 2HZ LYS 23 2HZ LYS 23 4.239 11.400 -8.345 174 3HZ LYS 23 3HZ LYS 23 3.391 10.284 -9.219 175 H ALA 24 H ALA 24 8.442 8.841 -2.273 176 HA ALA 24 HA ALA 24 10.464 7.999 -4.109 177 1HB ALA 24 1HB ALA 24 12.131 8.658 -2.383 178 2HB ALA 24 2HB ALA 24 10.814 9.841 -2.486 179 3HB ALA 24 3HB ALA 24 10.868 8.688 -1.129 180 H ALA 25 H ALA 25 9.371 6.447 -1.105 181 HA ALA 25 HA ALA 25 11.440 4.323 -1.045 182 1HB ALA 25 1HB ALA 25 10.119 3.385 0.843 183 2HB ALA 25 2HB ALA 25 10.374 5.128 1.042 184 3HB ALA 25 3HB ALA 25 8.785 4.517 0.515 185 H PHE 26 H PHE 26 8.165 4.636 -2.293 186 HA PHE 26 HA PHE 26 7.521 1.830 -2.815 187 1HB PHE 26 1HB PHE 26 6.503 4.195 -4.486 188 2HB PHE 26 2HB PHE 26 5.938 3.906 -2.862 189 HD1 PHE 26 HD1 PHE 26 6.465 1.887 -6.059 190 HD2 PHE 26 HD2 PHE 26 3.922 2.667 -2.678 191 HE1 PHE 26 HE1 PHE 26 4.752 0.380 -6.985 192 HE2 PHE 26 HE2 PHE 26 2.221 1.157 -3.620 193 HZ PHE 26 HZ PHE 26 2.627 0.020 -5.776 194 H ASP 27 H ASP 27 9.332 4.295 -4.558 195 HA ASP 27 HA ASP 27 9.502 2.998 -7.177 196 1HB ASP 27 1HB ASP 27 11.729 4.857 -6.265 197 2HB ASP 27 2HB ASP 27 10.108 5.498 -6.408 198 H MET 28 H MET 28 11.274 2.598 -4.195 199 HA MET 28 HA MET 28 13.734 1.363 -5.097 200 1HB MET 28 1HB MET 28 13.449 -0.018 -2.785 201 2HB MET 28 2HB MET 28 12.183 1.163 -2.500 202 1HG MET 28 1HG MET 28 13.962 3.018 -2.995 203 2HG MET 28 2HG MET 28 14.122 2.114 -1.481 204 1HE MET 28 1HE MET 28 17.025 0.310 -1.301 205 2HE MET 28 2HE MET 28 17.470 2.041 -1.373 206 3HE MET 28 3HE MET 28 15.918 1.551 -0.634 207 H PHE 29 H PHE 29 10.510 -0.007 -4.524 208 HA PHE 29 HA PHE 29 11.418 -2.731 -5.631 209 1HB PHE 29 1HB PHE 29 9.020 -2.190 -3.765 210 2HB PHE 29 2HB PHE 29 9.468 -3.737 -4.429 211 HD1 PHE 29 HD1 PHE 29 11.080 -0.999 -2.341 212 HD2 PHE 29 HD2 PHE 29 10.764 -5.219 -3.128 213 HE1 PHE 29 HE1 PHE 29 12.470 -1.484 -0.368 214 HE2 PHE 29 HE2 PHE 29 12.175 -5.679 -1.166 215 HZ PHE 29 HZ PHE 29 13.021 -3.820 0.220 216 H ASP 30 H ASP 30 10.739 -0.422 -7.186 217 HA ASP 30 HA ASP 30 8.529 -1.537 -8.898 218 1HB ASP 30 1HB ASP 30 7.238 -0.167 -7.255 219 2HB ASP 30 2HB ASP 30 8.180 1.249 -7.659 220 H ALA 31 H ALA 31 9.440 -1.543 -10.800 221 HA ALA 31 HA ALA 31 11.812 -0.135 -11.663 222 1HB ALA 31 1HB ALA 31 11.249 -0.941 -13.960 223 2HB ALA 31 2HB ALA 31 11.038 -2.217 -12.746 224 3HB ALA 31 3HB ALA 31 9.612 -1.395 -13.431 225 H ASP 32 H ASP 32 11.649 1.170 -13.851 226 HA ASP 32 HA ASP 32 10.256 3.769 -13.162 227 1HB ASP 32 1HB ASP 32 12.484 3.105 -15.151 228 2HB ASP 32 2HB ASP 32 11.615 4.619 -15.238 229 H GLY 33 H GLY 33 8.191 3.708 -13.724 230 1HA GLY 33 1HA GLY 33 6.436 4.058 -15.521 231 2HA GLY 33 2HA GLY 33 7.399 3.040 -16.597 232 H GLY 34 H GLY 34 6.779 2.264 -13.211 233 1HA GLY 34 1HA GLY 34 5.517 -0.392 -13.991 234 2HA GLY 34 2HA GLY 34 6.123 0.029 -12.386 235 H GLY 35 H GLY 35 4.923 1.563 -11.104 236 1HA GLY 35 1HA GLY 35 1.945 1.873 -11.798 237 2HA GLY 35 2HA GLY 35 2.827 2.950 -10.713 238 H ASP 36 H ASP 36 3.035 -0.579 -10.786 239 HA ASP 36 HA ASP 36 1.897 -0.739 -7.948 240 1HB ASP 36 1HB ASP 36 0.631 -2.784 -8.506 241 2HB ASP 36 2HB ASP 36 0.070 -1.392 -9.405 242 H ILE 37 H ILE 37 2.401 -2.901 -6.968 243 HA ILE 37 HA ILE 37 5.043 -4.149 -7.868 244 HB ILE 37 HB ILE 37 6.074 -4.022 -5.698 245 1HG1 ILE 37 1HG1 ILE 37 3.786 -2.248 -4.628 246 2HG1 ILE 37 2HG1 ILE 37 3.854 -3.970 -4.324 247 1HG2 ILE 37 1HG2 ILE 37 6.636 -1.589 -5.614 248 2HG2 ILE 37 2HG2 ILE 37 6.483 -2.122 -7.294 249 3HG2 ILE 37 3HG2 ILE 37 5.172 -1.182 -6.541 250 1HD1 ILE 37 1HD1 ILE 37 5.972 -1.963 -3.360 251 2HD1 ILE 37 2HD1 ILE 37 4.765 -2.825 -2.382 252 3HD1 ILE 37 3HD1 ILE 37 6.083 -3.732 -3.160 253 H SER 38 H SER 38 5.365 -5.932 -5.873 254 HA SER 38 HA SER 38 3.000 -7.793 -6.107 255 1HB SER 38 1HB SER 38 5.564 -8.403 -6.309 256 2HB SER 38 2HB SER 38 5.530 -8.456 -4.544 257 HG SER 38 HG SER 38 3.439 -9.717 -5.883 258 H THR 39 H THR 39 2.104 -8.827 -4.241 259 HA THR 39 HA THR 39 1.497 -6.927 -1.991 260 HB THR 39 HB THR 39 0.020 -9.034 -1.252 261 HG1 THR 39 HG1 THR 39 1.053 -10.163 -3.112 262 1HG2 THR 39 1HG2 THR 39 -1.892 -8.173 -2.531 263 2HG2 THR 39 2HG2 THR 39 -0.922 -6.794 -1.963 264 3HG2 THR 39 3HG2 THR 39 -0.826 -7.314 -3.667 265 H LYS 40 H LYS 40 3.142 -10.017 -2.526 266 HA LYS 40 HA LYS 40 3.568 -10.899 0.200 267 1HB LYS 40 1HB LYS 40 4.696 -11.564 -2.455 268 2HB LYS 40 2HB LYS 40 5.933 -11.646 -1.219 269 1HG LYS 40 1HG LYS 40 3.239 -13.132 -1.108 270 2HG LYS 40 2HG LYS 40 4.734 -13.828 -1.699 271 1HD LYS 40 1HD LYS 40 4.143 -12.943 1.199 272 2HD LYS 40 2HD LYS 40 4.274 -14.586 0.592 273 1HE LYS 40 1HE LYS 40 6.344 -13.339 1.847 274 2HE LYS 40 2HE LYS 40 6.725 -12.823 0.203 275 1HZ LYS 40 1HZ LYS 40 7.562 -15.110 1.174 276 2HZ LYS 40 2HZ LYS 40 6.110 -15.670 0.619 277 3HZ LYS 40 3HZ LYS 40 7.180 -14.969 -0.427 278 H GLU 41 H GLU 41 5.244 -8.546 -1.817 279 HA GLU 41 HA GLU 41 7.462 -8.095 0.182 280 1HB GLU 41 1HB GLU 41 8.089 -6.265 -1.654 281 2HB GLU 41 2HB GLU 41 6.966 -7.154 -2.663 282 1HG GLU 41 1HG GLU 41 9.572 -8.201 -1.402 283 2HG GLU 41 2HG GLU 41 8.376 -9.300 -2.068 284 H LEU 42 H LEU 42 4.545 -6.549 -1.040 285 HA LEU 42 HA LEU 42 4.654 -3.876 -0.312 286 1HB LEU 42 1HB LEU 42 2.499 -3.984 -0.918 287 2HB LEU 42 2HB LEU 42 2.558 -5.732 -0.854 288 HG LEU 42 HG LEU 42 1.831 -3.944 1.551 289 1HD1 LEU 42 1HD1 LEU 42 1.454 -6.992 1.260 290 2HD1 LEU 42 2HD1 LEU 42 2.807 -6.248 2.126 291 3HD1 LEU 42 3HD1 LEU 42 1.142 -5.999 2.707 292 1HD2 LEU 42 1HD2 LEU 42 -0.531 -4.549 1.162 293 2HD2 LEU 42 2HD2 LEU 42 0.116 -3.850 -0.343 294 3HD2 LEU 42 3HD2 LEU 42 -0.091 -5.605 -0.204 295 H GLY 43 H GLY 43 4.452 -6.622 1.882 296 1HA GLY 43 1HA GLY 43 4.022 -5.229 4.443 297 2HA GLY 43 2HA GLY 43 4.803 -6.804 4.266 298 H THR 44 H THR 44 7.043 -6.611 3.112 299 HA THR 44 HA THR 44 8.936 -5.570 4.871 300 HB THR 44 HB THR 44 9.275 -6.163 1.904 301 HG1 THR 44 HG1 THR 44 8.925 -7.918 3.101 302 1HG2 THR 44 1HG2 THR 44 11.749 -6.227 2.257 303 2HG2 THR 44 2HG2 THR 44 11.118 -4.576 2.433 304 3HG2 THR 44 3HG2 THR 44 11.550 -5.521 3.881 305 H VAL 45 H VAL 45 7.410 -3.860 2.195 306 HA VAL 45 HA VAL 45 9.316 -1.621 1.974 307 HB VAL 45 HB VAL 45 7.712 -0.481 0.553 308 1HG1 VAL 45 1HG1 VAL 45 7.453 -2.172 -1.259 309 2HG1 VAL 45 2HG1 VAL 45 9.038 -2.335 -0.492 310 3HG1 VAL 45 3HG1 VAL 45 7.750 -3.500 -0.106 311 1HG2 VAL 45 1HG2 VAL 45 5.614 -2.647 1.234 312 2HG2 VAL 45 2HG2 VAL 45 5.522 -0.930 1.691 313 3HG2 VAL 45 3HG2 VAL 45 5.455 -1.387 -0.017 314 H MET 46 H MET 46 6.285 -2.157 3.744 315 HA MET 46 HA MET 46 6.139 0.620 4.851 316 1HB MET 46 1HB MET 46 4.096 -0.772 4.258 317 2HB MET 46 2HB MET 46 4.058 0.007 5.831 318 1HG MET 46 1HG MET 46 4.292 -2.967 5.197 319 2HG MET 46 2HG MET 46 4.971 -2.372 6.720 320 1HE MET 46 1HE MET 46 3.329 -0.607 8.435 321 2HE MET 46 2HE MET 46 2.057 -1.731 8.996 322 3HE MET 46 3HE MET 46 3.733 -2.317 8.785 323 NH1 ARG 47 NH1 ARG 47 7.188 -7.973 8.850 324 NH2 ARG 47 NH2 ARG 47 8.357 -8.021 6.903 325 H ARG 47 H ARG 47 7.507 -2.437 5.818 326 HA ARG 47 HA ARG 47 7.519 -1.901 8.784 327 1HB ARG 47 1HB ARG 47 8.188 -4.219 6.995 328 2HB ARG 47 2HB ARG 47 9.241 -4.051 8.392 329 1HG ARG 47 1HG ARG 47 6.646 -3.669 9.493 330 2HG ARG 47 2HG ARG 47 7.692 -5.078 9.675 331 1HD ARG 47 1HD ARG 47 5.515 -4.662 7.530 332 2HD ARG 47 2HD ARG 47 5.507 -5.846 8.836 333 HE ARG 47 HE ARG 47 6.867 -6.171 6.234 334 1HH1 ARG 47 1HH1 ARG 47 7.690 -8.838 9.081 335 2HH1 ARG 47 2HH1 ARG 47 6.486 -7.497 9.428 336 1HH2 ARG 47 1HH2 ARG 47 8.482 -7.634 5.961 337 2HH2 ARG 47 2HH2 ARG 47 8.840 -8.833 7.304 338 H MET 48 H MET 48 9.745 -1.769 6.045 339 HA MET 48 HA MET 48 12.221 -1.450 7.679 340 1HB MET 48 1HB MET 48 12.380 -0.532 4.829 341 2HB MET 48 2HB MET 48 11.746 -2.158 5.014 342 1HG MET 48 1HG MET 48 14.020 -2.161 6.730 343 2HG MET 48 2HG MET 48 13.897 -2.894 5.123 344 1HE MET 48 1HE MET 48 17.059 -1.006 6.268 345 2HE MET 48 2HE MET 48 16.243 0.540 6.646 346 3HE MET 48 3HE MET 48 15.635 -0.984 7.355 347 H LEU 49 H LEU 49 9.699 0.632 6.794 348 HA LEU 49 HA LEU 49 11.291 3.057 7.780 349 1HB LEU 49 1HB LEU 49 9.448 4.312 6.227 350 2HB LEU 49 2HB LEU 49 11.074 3.916 5.698 351 HG LEU 49 HG LEU 49 9.389 1.618 5.089 352 1HD1 LEU 49 1HD1 LEU 49 10.606 3.697 3.162 353 2HD1 LEU 49 2HD1 LEU 49 11.514 2.358 3.887 354 3HD1 LEU 49 3HD1 LEU 49 10.162 2.014 2.780 355 1HD2 LEU 49 1HD2 LEU 49 7.663 2.565 3.617 356 2HD2 LEU 49 2HD2 LEU 49 7.464 3.321 5.217 357 3HD2 LEU 49 3HD2 LEU 49 8.238 4.226 3.909 358 H GLY 50 H GLY 50 9.685 1.081 9.169 359 1HA GLY 50 1HA GLY 50 7.367 2.801 10.222 360 2HA GLY 50 2HA GLY 50 7.067 1.119 9.776 361 H GLN 51 H GLN 51 8.434 -0.534 10.833 362 HA GLN 51 HA GLN 51 9.508 0.028 13.598 363 1HB GLN 51 1HB GLN 51 7.250 -1.914 13.792 364 2HB GLN 51 2HB GLN 51 7.802 -0.684 14.915 365 1HG GLN 51 1HG GLN 51 6.628 1.103 13.616 366 2HG GLN 51 2HG GLN 51 6.123 -0.060 12.408 367 1HE2 GLN 51 1HE2 GLN 51 3.220 0.347 14.743 368 2HE2 GLN 51 2HE2 GLN 51 4.234 1.452 13.687 369 H ASN 52 H ASN 52 9.074 -2.596 14.556 370 HA ASN 52 HA ASN 52 10.453 -4.380 12.503 371 1HB ASN 52 1HB ASN 52 11.175 -4.111 15.471 372 2HB ASN 52 2HB ASN 52 12.113 -3.493 14.129 373 1HD2 ASN 52 1HD2 ASN 52 13.278 -6.969 15.429 374 2HD2 ASN 52 2HD2 ASN 52 12.868 -5.372 16.235 375 HA PRO 53 HA PRO 53 6.679 -6.426 14.902 376 1HB PRO 53 1HB PRO 53 4.847 -6.752 12.869 377 2HB PRO 53 2HB PRO 53 5.029 -5.260 13.805 378 1HG PRO 53 1HG PRO 53 5.316 -4.373 11.645 379 2HG PRO 53 2HG PRO 53 6.120 -5.820 10.992 380 1HD PRO 53 1HD PRO 53 8.090 -4.560 11.459 381 2HD PRO 53 2HD PRO 53 7.246 -3.532 12.657 382 H THR 54 H THR 54 5.382 -8.494 13.643 383 HA THR 54 HA THR 54 7.644 -10.469 13.201 384 HB THR 54 HB THR 54 4.792 -11.383 13.634 385 HG1 THR 54 HG1 THR 54 4.929 -11.029 15.731 386 1HG2 THR 54 1HG2 THR 54 5.854 -13.229 14.891 387 2HG2 THR 54 2HG2 THR 54 6.564 -13.125 13.264 388 3HG2 THR 54 3HG2 THR 54 7.467 -12.510 14.671 389 H LYS 55 H LYS 55 7.489 -12.075 11.573 390 HA LYS 55 HA LYS 55 6.660 -10.974 8.911 391 1HB LYS 55 1HB LYS 55 7.582 -13.827 9.027 392 2HB LYS 55 2HB LYS 55 8.057 -12.536 7.944 393 1HG LYS 55 1HG LYS 55 9.112 -13.138 10.755 394 2HG LYS 55 2HG LYS 55 9.364 -11.557 10.042 395 1HD LYS 55 1HD LYS 55 10.429 -12.875 7.985 396 2HD LYS 55 2HD LYS 55 11.347 -12.620 9.460 397 1HE LYS 55 1HE LYS 55 9.735 -15.189 9.313 398 2HE LYS 55 2HE LYS 55 11.167 -15.079 8.288 399 1HZ LYS 55 1HZ LYS 55 12.527 -15.136 10.094 400 2HZ LYS 55 2HZ LYS 55 11.531 -14.249 11.069 401 3HZ LYS 55 3HZ LYS 55 11.235 -15.857 10.829 402 H GLU 56 H GLU 56 5.682 -13.529 11.150 403 HA GLU 56 HA GLU 56 3.643 -14.844 9.452 404 1HB GLU 56 1HB GLU 56 4.837 -15.560 11.792 405 2HB GLU 56 2HB GLU 56 3.344 -14.922 12.451 406 1HG GLU 56 1HG GLU 56 2.042 -16.671 11.609 407 2HG GLU 56 2HG GLU 56 2.987 -16.836 10.139 408 H GLU 57 H GLU 57 3.720 -12.112 11.672 409 HA GLU 57 HA GLU 57 0.790 -11.743 11.928 410 1HB GLU 57 1HB GLU 57 2.978 -9.681 12.521 411 2HB GLU 57 2HB GLU 57 1.300 -9.588 13.019 412 1HG GLU 57 1HG GLU 57 2.959 -12.004 13.907 413 2HG GLU 57 2HG GLU 57 3.226 -10.454 14.687 414 H LEU 58 H LEU 58 3.334 -10.510 9.820 415 HA LEU 58 HA LEU 58 1.808 -8.429 8.415 416 1HB LEU 58 1HB LEU 58 4.178 -8.312 8.189 417 2HB LEU 58 2HB LEU 58 4.335 -9.996 7.741 418 HG LEU 58 HG LEU 58 4.668 -8.154 5.900 419 1HD1 LEU 58 1HD1 LEU 58 3.760 -9.662 4.104 420 2HD1 LEU 58 2HD1 LEU 58 4.621 -10.583 5.346 421 3HD1 LEU 58 3HD1 LEU 58 2.840 -10.579 5.324 422 1HD2 LEU 58 1HD2 LEU 58 1.577 -8.259 5.858 423 2HD2 LEU 58 2HD2 LEU 58 2.566 -6.847 6.308 424 3HD2 LEU 58 3HD2 LEU 58 2.617 -7.466 4.647 425 H ASP 59 H ASP 59 2.214 -11.904 8.002 426 HA ASP 59 HA ASP 59 0.813 -12.265 5.462 427 1HB ASP 59 1HB ASP 59 1.552 -14.141 7.723 428 2HB ASP 59 2HB ASP 59 0.310 -14.671 6.613 429 H ALA 60 H ALA 60 -0.261 -11.961 8.802 430 HA ALA 60 HA ALA 60 -3.073 -12.728 8.467 431 1HB ALA 60 1HB ALA 60 -3.432 -11.631 10.674 432 2HB ALA 60 2HB ALA 60 -1.994 -12.671 10.693 433 3HB ALA 60 3HB ALA 60 -1.810 -10.900 10.610 434 H ILE 61 H ILE 61 -1.533 -9.500 8.734 435 HA ILE 61 HA ILE 61 -3.706 -7.765 8.300 436 HB ILE 61 HB ILE 61 -0.796 -7.428 7.482 437 1HG1 ILE 61 1HG1 ILE 61 -0.897 -7.167 9.833 438 2HG1 ILE 61 2HG1 ILE 61 -2.518 -6.507 9.819 439 1HG2 ILE 61 1HG2 ILE 61 -1.237 -5.026 6.910 440 2HG2 ILE 61 2HG2 ILE 61 -2.108 -6.096 5.814 441 3HG2 ILE 61 3HG2 ILE 61 -2.987 -5.277 7.126 442 1HD1 ILE 61 1HD1 ILE 61 -1.741 -4.290 9.028 443 2HD1 ILE 61 2HD1 ILE 61 -0.849 -4.789 10.481 444 3HD1 ILE 61 3HD1 ILE 61 -0.070 -4.902 8.886 445 H ILE 62 H ILE 62 -1.855 -9.713 6.021 446 HA ILE 62 HA ILE 62 -2.800 -8.559 3.482 447 HB ILE 62 HB ILE 62 -1.590 -11.285 4.130 448 1HG1 ILE 62 1HG1 ILE 62 -0.190 -9.005 4.072 449 2HG1 ILE 62 2HG1 ILE 62 0.461 -10.468 3.365 450 1HG2 ILE 62 1HG2 ILE 62 -1.453 -11.759 1.671 451 2HG2 ILE 62 2HG2 ILE 62 -3.135 -11.620 2.177 452 3HG2 ILE 62 3HG2 ILE 62 -2.364 -10.271 1.313 453 1HD1 ILE 62 1HD1 ILE 62 -0.816 -8.188 1.743 454 2HD1 ILE 62 2HD1 ILE 62 0.901 -8.632 1.835 455 3HD1 ILE 62 3HD1 ILE 62 -0.254 -9.738 1.056 456 H GLU 63 H GLU 63 -3.828 -11.390 5.403 457 HA GLU 63 HA GLU 63 -5.988 -12.387 3.838 458 1HB GLU 63 1HB GLU 63 -5.456 -12.422 6.813 459 2HB GLU 63 2HB GLU 63 -5.450 -13.736 5.655 460 1HG GLU 63 1HG GLU 63 -7.433 -14.287 6.696 461 2HG GLU 63 2HG GLU 63 -8.123 -13.162 5.538 462 H GLU 64 H GLU 64 -5.868 -9.588 5.969 463 HA GLU 64 HA GLU 64 -8.759 -8.992 6.028 464 1HB GLU 64 1HB GLU 64 -6.527 -6.973 6.569 465 2HB GLU 64 2HB GLU 64 -6.961 -8.225 7.716 466 1HG GLU 64 1HG GLU 64 -8.987 -6.149 6.663 467 2HG GLU 64 2HG GLU 64 -9.253 -7.296 7.965 468 H VAL 65 H VAL 65 -5.986 -7.719 4.187 469 HA VAL 65 HA VAL 65 -7.854 -6.135 2.356 470 HB VAL 65 HB VAL 65 -4.847 -5.763 2.267 471 1HG1 VAL 65 1HG1 VAL 65 -5.465 -3.432 1.602 472 2HG1 VAL 65 2HG1 VAL 65 -6.243 -4.619 0.537 473 3HG1 VAL 65 3HG1 VAL 65 -7.196 -3.803 1.800 474 1HG2 VAL 65 1HG2 VAL 65 -6.642 -4.399 4.392 475 2HG2 VAL 65 2HG2 VAL 65 -5.316 -5.543 4.712 476 3HG2 VAL 65 3HG2 VAL 65 -4.960 -3.958 4.012 477 H ASP 66 H ASP 66 -7.624 -8.988 2.288 478 HA ASP 66 HA ASP 66 -7.033 -9.303 -0.642 479 1HB ASP 66 1HB ASP 66 -4.861 -9.931 0.749 480 2HB ASP 66 2HB ASP 66 -5.725 -11.398 1.144 481 H GLU 67 H GLU 67 -9.327 -9.192 1.059 482 HA GLU 67 HA GLU 67 -10.524 -11.948 1.215 483 1HB GLU 67 1HB GLU 67 -11.518 -9.166 1.893 484 2HB GLU 67 2HB GLU 67 -12.699 -10.427 1.599 485 1HG GLU 67 1HG GLU 67 -11.990 -11.725 3.506 486 2HG GLU 67 2HG GLU 67 -10.429 -10.927 3.600 487 H ASP 68 H ASP 68 -10.688 -9.057 -0.827 488 HA ASP 68 HA ASP 68 -11.724 -10.724 -3.151 489 1HB ASP 68 1HB ASP 68 -13.719 -9.603 -1.967 490 2HB ASP 68 2HB ASP 68 -13.068 -8.057 -2.462 491 H GLY 69 H GLY 69 -9.148 -9.967 -2.742 492 1HA GLY 69 1HA GLY 69 -7.273 -8.605 -3.524 493 2HA GLY 69 2HA GLY 69 -8.422 -7.308 -3.868 494 H SER 70 H SER 70 -7.300 -6.946 -5.814 495 HA SER 70 HA SER 70 -8.473 -8.328 -8.190 496 1HB SER 70 1HB SER 70 -6.312 -6.231 -8.506 497 2HB SER 70 2HB SER 70 -7.779 -6.504 -9.450 498 HG SER 70 HG SER 70 -8.220 -4.791 -8.250 499 H GLY 71 H GLY 71 -5.175 -7.789 -6.896 500 1HA GLY 71 1HA GLY 71 -3.998 -10.351 -7.128 501 2HA GLY 71 2HA GLY 71 -3.915 -9.764 -8.791 502 H THR 72 H THR 72 -3.629 -6.962 -8.012 503 HA THR 72 HA THR 72 -0.712 -6.996 -7.118 504 HB THR 72 HB THR 72 -0.082 -5.331 -8.654 505 HG1 THR 72 HG1 THR 72 -1.573 -3.890 -8.712 506 1HG2 THR 72 1HG2 THR 72 -1.957 -6.714 -10.594 507 2HG2 THR 72 2HG2 THR 72 -0.228 -6.339 -10.758 508 3HG2 THR 72 3HG2 THR 72 -0.752 -7.720 -9.759 509 H ILE 73 H ILE 73 -0.213 -4.374 -6.786 510 HA ILE 73 HA ILE 73 -2.315 -3.171 -5.005 511 HB ILE 73 HB ILE 73 -0.797 -4.775 -3.644 512 1HG1 ILE 73 1HG1 ILE 73 -2.422 -2.665 -2.954 513 2HG1 ILE 73 2HG1 ILE 73 -1.699 -3.802 -1.830 514 1HG2 ILE 73 1HG2 ILE 73 1.274 -3.888 -2.639 515 2HG2 ILE 73 2HG2 ILE 73 1.463 -3.925 -4.398 516 3HG2 ILE 73 3HG2 ILE 73 1.149 -2.379 -3.574 517 1HD1 ILE 73 1HD1 ILE 73 -1.453 -1.208 -1.337 518 2HD1 ILE 73 2HD1 ILE 73 -0.074 -2.288 -1.041 519 3HD1 ILE 73 3HD1 ILE 73 -0.109 -1.283 -2.510 520 H ASP 74 H ASP 74 -2.328 -1.021 -5.064 521 HA ASP 74 HA ASP 74 -0.240 0.396 -6.783 522 1HB ASP 74 1HB ASP 74 -2.151 2.272 -6.732 523 2HB ASP 74 2HB ASP 74 -2.147 0.956 -7.884 524 H PHE 75 H PHE 75 -0.276 2.889 -6.133 525 HA PHE 75 HA PHE 75 1.199 2.983 -3.550 526 1HB PHE 75 1HB PHE 75 2.055 4.251 -5.457 527 2HB PHE 75 2HB PHE 75 0.567 5.140 -5.645 528 HD1 PHE 75 HD1 PHE 75 1.945 4.494 -2.219 529 HD2 PHE 75 HD2 PHE 75 1.706 7.333 -5.445 530 HE1 PHE 75 HE1 PHE 75 2.930 6.230 -0.780 531 HE2 PHE 75 HE2 PHE 75 2.739 9.041 -4.002 532 HZ PHE 75 HZ PHE 75 3.333 8.501 -1.668 533 H GLU 76 H GLU 76 -1.953 3.952 -4.781 534 HA GLU 76 HA GLU 76 -2.883 5.668 -2.622 535 1HB GLU 76 1HB GLU 76 -5.234 4.950 -3.368 536 2HB GLU 76 2HB GLU 76 -4.474 3.896 -4.543 537 1HG GLU 76 1HG GLU 76 -4.707 5.705 -5.945 538 2HG GLU 76 2HG GLU 76 -3.198 6.238 -5.223 539 H GLU 77 H GLU 77 -3.618 2.219 -3.215 540 HA GLU 77 HA GLU 77 -4.907 1.572 -0.723 541 1HB GLU 77 1HB GLU 77 -3.185 -0.592 -1.917 542 2HB GLU 77 2HB GLU 77 -4.816 -0.665 -1.280 543 1HG GLU 77 1HG GLU 77 -5.286 0.911 -3.510 544 2HG GLU 77 2HG GLU 77 -3.873 0.034 -4.071 545 H PHE 78 H PHE 78 -1.496 1.806 -1.565 546 HA PHE 78 HA PHE 78 -0.283 0.489 0.715 547 1HB PHE 78 1HB PHE 78 1.182 0.898 -1.087 548 2HB PHE 78 2HB PHE 78 0.716 2.568 -1.271 549 HD1 PHE 78 HD1 PHE 78 2.789 0.194 0.740 550 HD2 PHE 78 HD2 PHE 78 1.761 4.334 0.183 551 HE1 PHE 78 HE1 PHE 78 4.823 0.873 1.950 552 HE2 PHE 78 HE2 PHE 78 3.792 4.994 1.405 553 HZ PHE 78 HZ PHE 78 5.313 3.269 2.309 554 H LEU 79 H LEU 79 -1.272 3.865 0.182 555 HA LEU 79 HA LEU 79 -0.381 4.965 2.778 556 1HB LEU 79 1HB LEU 79 -2.707 6.146 1.191 557 2HB LEU 79 2HB LEU 79 -1.552 6.967 2.219 558 HG LEU 79 HG LEU 79 -0.203 5.644 -0.082 559 1HD1 LEU 79 1HD1 LEU 79 -0.296 8.613 0.749 560 2HD1 LEU 79 2HD1 LEU 79 0.823 7.421 1.435 561 3HD1 LEU 79 3HD1 LEU 79 0.918 7.832 -0.295 562 1HD2 LEU 79 1HD2 LEU 79 -1.087 7.035 -1.905 563 2HD2 LEU 79 2HD2 LEU 79 -2.474 6.199 -1.162 564 3HD2 LEU 79 3HD2 LEU 79 -2.177 7.905 -0.796 565 H VAL 80 H VAL 80 -3.327 3.451 1.556 566 HA VAL 80 HA VAL 80 -5.171 4.075 3.736 567 HB VAL 80 HB VAL 80 -5.162 1.846 1.664 568 1HG1 VAL 80 1HG1 VAL 80 -7.212 4.107 2.091 569 2HG1 VAL 80 2HG1 VAL 80 -5.813 4.263 1.021 570 3HG1 VAL 80 3HG1 VAL 80 -7.047 3.029 0.681 571 1HG2 VAL 80 1HG2 VAL 80 -7.357 1.035 2.393 572 2HG2 VAL 80 2HG2 VAL 80 -6.268 0.914 3.794 573 3HG2 VAL 80 3HG2 VAL 80 -7.442 2.235 3.706 574 H MET 81 H MET 81 -2.725 1.583 3.232 575 HA MET 81 HA MET 81 -3.432 -0.173 5.512 576 1HB MET 81 1HB MET 81 -0.748 0.008 4.018 577 2HB MET 81 2HB MET 81 -1.221 -1.259 5.135 578 1HG MET 81 1HG MET 81 -2.908 -0.719 2.625 579 2HG MET 81 2HG MET 81 -1.442 -1.710 2.555 580 1HE MET 81 1HE MET 81 -3.360 -3.886 1.721 581 2HE MET 81 2HE MET 81 -1.693 -3.984 2.364 582 3HE MET 81 3HE MET 81 -2.969 -5.044 3.031 583 H MET 82 H MET 82 -0.985 2.354 4.943 584 HA MET 82 HA MET 82 0.520 2.232 7.380 585 1HB MET 82 1HB MET 82 0.081 4.333 5.295 586 2HB MET 82 2HB MET 82 0.503 4.976 6.871 587 1HG MET 82 1HG MET 82 2.215 2.693 5.788 588 2HG MET 82 2HG MET 82 2.396 4.304 5.076 589 1HE MET 82 1HE MET 82 5.228 4.200 6.291 590 2HE MET 82 2HE MET 82 5.258 3.404 7.893 591 3HE MET 82 3HE MET 82 4.521 2.566 6.497 592 H VAL 83 H VAL 83 -2.130 4.541 6.687 593 HA VAL 83 HA VAL 83 -2.569 5.654 9.264 594 HB VAL 83 HB VAL 83 -4.303 5.330 6.854 595 1HG1 VAL 83 1HG1 VAL 83 -3.921 7.773 8.695 596 2HG1 VAL 83 2HG1 VAL 83 -2.816 7.376 7.373 597 3HG1 VAL 83 3HG1 VAL 83 -4.517 7.753 7.016 598 1HG2 VAL 83 1HG2 VAL 83 -6.403 6.068 7.859 599 2HG2 VAL 83 2HG2 VAL 83 -5.908 4.610 8.749 600 3HG2 VAL 83 3HG2 VAL 83 -5.671 6.205 9.478 601 NH1 ARG 84 NH1 ARG 84 -9.295 -1.759 6.851 602 NH2 ARG 84 NH2 ARG 84 -9.895 0.354 7.428 603 H ARG 84 H ARG 84 -3.823 2.607 7.923 604 HA ARG 84 HA ARG 84 -5.599 1.662 9.967 605 1HB ARG 84 1HB ARG 84 -4.573 0.542 7.656 606 2HB ARG 84 2HB ARG 84 -3.704 -0.395 8.864 607 1HG ARG 84 1HG ARG 84 -5.533 -1.605 9.485 608 2HG ARG 84 2HG ARG 84 -6.583 -0.189 9.566 609 1HD ARG 84 1HD ARG 84 -5.769 -1.135 6.786 610 2HD ARG 84 2HD ARG 84 -6.903 -2.148 7.677 611 HE ARG 84 HE ARG 84 -7.439 0.779 6.969 612 1HH1 ARG 84 1HH1 ARG 84 -10.860 0.028 7.308 613 2HH1 ARG 84 2HH1 ARG 84 -9.594 1.294 7.708 614 1HH2 ARG 84 1HH2 ARG 84 -8.545 -2.454 6.771 615 2HH2 ARG 84 2HH2 ARG 84 -10.297 -1.915 6.690 616 H GLN 85 H GLN 85 -2.070 1.056 9.746 617 HA GLN 85 HA GLN 85 -1.823 -0.442 12.257 618 1HB GLN 85 1HB GLN 85 0.673 0.954 11.528 619 2HB GLN 85 2HB GLN 85 -0.094 0.274 10.104 620 1HG GLN 85 1HG GLN 85 1.039 -1.169 12.524 621 2HG GLN 85 2HG GLN 85 1.328 -1.468 10.823 622 1HE2 GLN 85 1HE2 GLN 85 -2.297 -2.961 10.880 623 2HE2 GLN 85 2HE2 GLN 85 -1.596 -1.432 10.147 624 H MET 86 H MET 86 -0.621 2.835 11.478 625 HA MET 86 HA MET 86 0.287 3.743 13.985 626 1HB MET 86 1HB MET 86 -1.247 5.831 12.448 627 2HB MET 86 2HB MET 86 -0.032 4.956 11.533 628 1HG MET 86 1HG MET 86 1.498 6.442 12.346 629 2HG MET 86 2HG MET 86 1.363 5.620 13.909 630 1HE MET 86 1HE MET 86 1.683 7.088 15.575 631 2HE MET 86 2HE MET 86 2.044 8.649 14.781 632 3HE MET 86 3HE MET 86 0.741 8.551 16.002 633 H LYS 87 H LYS 87 -3.034 3.456 12.877 634 HA LYS 87 HA LYS 87 -4.355 4.896 15.098 635 1HB LYS 87 1HB LYS 87 -5.749 4.695 13.220 636 2HB LYS 87 2HB LYS 87 -5.322 3.026 12.906 637 1HG LYS 87 1HG LYS 87 -6.636 3.017 15.469 638 2HG LYS 87 2HG LYS 87 -7.197 2.332 13.957 639 1HD LYS 87 1HD LYS 87 -7.640 5.304 14.153 640 2HD LYS 87 2HD LYS 87 -8.692 4.033 13.552 641 1HE LYS 87 1HE LYS 87 -8.711 3.414 16.265 642 2HE LYS 87 2HE LYS 87 -8.529 5.168 16.338 643 1HZ LYS 87 1HZ LYS 87 -10.813 4.825 16.240 644 2HZ LYS 87 2HZ LYS 87 -10.481 5.161 14.657 645 3HZ LYS 87 3HZ LYS 87 -10.733 3.600 15.135 646 H GLU 88 H GLU 88 -4.056 1.399 14.353 647 HA GLU 88 HA GLU 88 -4.907 0.489 17.044 648 1HB GLU 88 1HB GLU 88 -5.406 -1.061 15.375 649 2HB GLU 88 2HB GLU 88 -3.860 -0.898 14.566 650 1HG GLU 88 1HG GLU 88 -3.734 -3.058 15.530 651 2HG GLU 88 2HG GLU 88 -2.799 -2.085 16.653 652 H ASP 89 H ASP 89 -3.745 0.670 18.788 653 HA ASP 89 HA ASP 89 -0.937 -0.265 19.006 654 1HB ASP 89 1HB ASP 89 -1.052 2.402 18.216 655 2HB ASP 89 2HB ASP 89 -0.986 2.573 19.955 656 H ALA 90 H ALA 90 -1.827 -1.621 20.492 657 HA ALA 90 HA ALA 90 -3.236 -0.593 22.962 658 1HB ALA 90 1HB ALA 90 -3.921 -2.787 23.345 659 2HB ALA 90 2HB ALA 90 -3.581 -2.955 21.611 660 3HB ALA 90 3HB ALA 90 -2.384 -3.508 22.807 Start of MODEL 35 Raw file had 660 H/Q atoms Start of MODEL 35 1 1H ALA 1 1H ALA 1 -21.574 0.236 0.240 2 2H ALA 1 2H ALA 1 -19.946 0.549 -0.045 3 3H ALA 1 3H ALA 1 -20.764 -0.574 -0.991 4 HA ALA 1 HA ALA 1 -20.758 -0.999 1.883 5 1HB ALA 1 1HB ALA 1 -20.384 -3.446 0.911 6 2HB ALA 1 2HB ALA 1 -21.972 -2.677 0.728 7 3HB ALA 1 3HB ALA 1 -20.844 -2.728 -0.651 8 H SER 2 H SER 2 -18.699 -2.216 -0.768 9 HA SER 2 HA SER 2 -16.299 -2.604 0.872 10 1HB SER 2 1HB SER 2 -17.121 -3.469 -1.637 11 2HB SER 2 2HB SER 2 -15.832 -2.341 -2.064 12 HG SER 2 HG SER 2 -15.531 -4.244 0.005 13 H MET 3 H MET 3 -15.721 -0.743 1.908 14 HA MET 3 HA MET 3 -14.533 1.319 2.276 15 1HB MET 3 1HB MET 3 -13.655 1.223 -0.654 16 2HB MET 3 2HB MET 3 -12.841 1.967 0.710 17 1HG MET 3 1HG MET 3 -12.345 -0.312 1.687 18 2HG MET 3 2HG MET 3 -13.181 -1.074 0.325 19 1HE MET 3 1HE MET 3 -11.299 2.337 -0.543 20 2HE MET 3 2HE MET 3 -10.556 1.838 1.005 21 3HE MET 3 3HE MET 3 -9.586 1.813 -0.497 22 H THR 4 H THR 4 -16.758 2.120 2.440 23 HA THR 4 HA THR 4 -18.241 3.469 0.342 24 HB THR 4 HB THR 4 -18.267 3.719 3.357 25 HG1 THR 4 HG1 THR 4 -19.991 2.889 1.295 26 1HG2 THR 4 1HG2 THR 4 -20.163 5.296 3.317 27 2HG2 THR 4 2HG2 THR 4 -18.731 6.094 2.631 28 3HG2 THR 4 3HG2 THR 4 -20.030 5.512 1.559 29 H ASP 5 H ASP 5 -15.643 4.566 2.488 30 HA ASP 5 HA ASP 5 -14.679 6.628 0.577 31 1HB ASP 5 1HB ASP 5 -16.813 7.624 1.918 32 2HB ASP 5 2HB ASP 5 -15.608 7.940 3.145 33 H GLN 6 H GLN 6 -13.644 4.364 1.848 34 HA GLN 6 HA GLN 6 -11.869 5.192 4.148 35 1HB GLN 6 1HB GLN 6 -12.487 2.576 2.742 36 2HB GLN 6 2HB GLN 6 -10.920 2.729 3.516 37 1HG GLN 6 1HG GLN 6 -12.171 1.797 5.245 38 2HG GLN 6 2HG GLN 6 -12.242 3.494 5.670 39 1HE2 GLN 6 1HE2 GLN 6 -15.704 1.489 4.677 40 2HE2 GLN 6 2HE2 GLN 6 -14.048 0.743 4.420 41 H GLN 7 H GLN 7 -11.701 4.553 0.685 42 HA GLN 7 HA GLN 7 -8.911 4.287 0.147 43 1HB GLN 7 1HB GLN 7 -11.124 4.520 -1.469 44 2HB GLN 7 2HB GLN 7 -10.411 6.101 -1.734 45 1HG GLN 7 1HG GLN 7 -8.355 5.176 -2.628 46 2HG GLN 7 2HG GLN 7 -8.713 3.563 -2.046 47 1HE2 GLN 7 1HE2 GLN 7 -10.535 4.903 -5.541 48 2HE2 GLN 7 2HE2 GLN 7 -9.938 6.095 -4.280 49 H ALA 8 H ALA 8 -10.782 7.345 0.273 50 HA ALA 8 HA ALA 8 -8.308 9.043 0.100 51 1HB ALA 8 1HB ALA 8 -10.021 10.026 -1.129 52 2HB ALA 8 2HB ALA 8 -11.298 9.570 0.016 53 3HB ALA 8 3HB ALA 8 -10.203 10.924 0.397 54 H GLU 9 H GLU 9 -10.581 7.908 2.519 55 HA GLU 9 HA GLU 9 -10.450 9.792 4.632 56 1HB GLU 9 1HB GLU 9 -11.950 8.064 5.027 57 2HB GLU 9 2HB GLU 9 -10.813 6.793 4.623 58 1HG GLU 9 1HG GLU 9 -10.365 8.471 7.153 59 2HG GLU 9 2HG GLU 9 -9.749 6.869 6.787 60 H ALA 10 H ALA 10 -8.007 7.482 3.597 61 HA ALA 10 HA ALA 10 -6.119 7.646 5.816 62 1HB ALA 10 1HB ALA 10 -4.422 6.805 4.199 63 2HB ALA 10 2HB ALA 10 -5.942 5.900 4.072 64 3HB ALA 10 3HB ALA 10 -5.524 7.113 2.836 65 NH1 ARG 11 NH1 ARG 11 -6.040 11.475 -2.375 66 NH2 ARG 11 NH2 ARG 11 -3.885 11.727 -3.048 67 H ARG 11 H ARG 11 -5.889 9.240 2.616 68 HA ARG 11 HA ARG 11 -3.854 11.198 3.023 69 1HB ARG 11 1HB ARG 11 -4.650 11.135 0.817 70 2HB ARG 11 2HB ARG 11 -6.341 11.143 1.297 71 1HG ARG 11 1HG ARG 11 -6.363 13.515 1.756 72 2HG ARG 11 2HG ARG 11 -4.602 13.630 1.747 73 1HD ARG 11 1HD ARG 11 -5.230 14.527 -0.381 74 2HD ARG 11 2HD ARG 11 -6.495 13.328 -0.643 75 HE ARG 11 HE ARG 11 -3.553 12.490 -0.693 76 1HH1 ARG 11 1HH1 ARG 11 -6.173 10.967 -3.256 77 2HH1 ARG 11 2HH1 ARG 11 -6.748 11.648 -1.652 78 1HH2 ARG 11 1HH2 ARG 11 -2.966 12.149 -2.873 79 2HH2 ARG 11 2HH2 ARG 11 -4.153 11.148 -3.851 80 H ALA 12 H ALA 12 -7.155 11.143 4.229 81 HA ALA 12 HA ALA 12 -7.785 13.807 4.908 82 1HB ALA 12 1HB ALA 12 -9.154 12.937 6.791 83 2HB ALA 12 2HB ALA 12 -9.327 11.917 5.349 84 3HB ALA 12 3HB ALA 12 -8.323 11.364 6.713 85 H PHE 13 H PHE 13 -6.304 11.585 7.311 86 HA PHE 13 HA PHE 13 -5.308 13.892 8.952 87 1HB PHE 13 1HB PHE 13 -4.568 11.516 10.246 88 2HB PHE 13 2HB PHE 13 -5.994 12.504 10.575 89 HD1 PHE 13 HD1 PHE 13 -4.934 9.700 8.217 90 HD2 PHE 13 HD2 PHE 13 -8.129 11.423 10.531 91 HE1 PHE 13 HE1 PHE 13 -6.261 7.646 7.935 92 HE2 PHE 13 HE2 PHE 13 -9.440 9.359 10.237 93 HZ PHE 13 HZ PHE 13 -8.486 7.447 8.994 94 H LEU 14 H LEU 14 -4.035 13.453 6.411 95 HA LEU 14 HA LEU 14 -1.173 12.751 7.235 96 1HB LEU 14 1HB LEU 14 -2.687 11.647 4.804 97 2HB LEU 14 2HB LEU 14 -0.938 11.709 4.854 98 HG LEU 14 HG LEU 14 -2.799 10.057 6.656 99 1HD1 LEU 14 1HD1 LEU 14 0.254 10.306 7.023 100 2HD1 LEU 14 2HD1 LEU 14 -0.943 11.090 8.070 101 3HD1 LEU 14 3HD1 LEU 14 -0.863 9.312 7.993 102 1HD2 LEU 14 1HD2 LEU 14 -1.638 8.104 5.713 103 2HD2 LEU 14 2HD2 LEU 14 -2.136 9.134 4.349 104 3HD2 LEU 14 3HD2 LEU 14 -0.448 9.136 4.881 105 H SER 15 H SER 15 0.142 14.324 6.737 106 HA SER 15 HA SER 15 -0.703 16.780 5.262 107 1HB SER 15 1HB SER 15 1.882 17.318 5.648 108 2HB SER 15 2HB SER 15 0.710 17.405 6.966 109 HG SER 15 HG SER 15 1.492 15.643 7.825 110 H GLU 16 H GLU 16 0.286 17.582 3.373 111 HA GLU 16 HA GLU 16 0.513 15.665 1.152 112 1HB GLU 16 1HB GLU 16 0.670 18.643 1.437 113 2HB GLU 16 2HB GLU 16 1.568 17.983 0.085 114 1HG GLU 16 1HG GLU 16 -0.425 17.069 -0.956 115 2HG GLU 16 2HG GLU 16 -1.367 17.190 0.520 116 H GLU 17 H GLU 17 2.789 17.294 3.252 117 HA GLU 17 HA GLU 17 5.259 17.054 1.761 118 1HB GLU 17 1HB GLU 17 4.953 16.943 4.807 119 2HB GLU 17 2HB GLU 17 6.488 17.063 3.971 120 1HG GLU 17 1HG GLU 17 5.904 19.297 3.061 121 2HG GLU 17 2HG GLU 17 4.251 19.158 3.635 122 H MET 18 H MET 18 3.735 14.761 4.030 123 HA MET 18 HA MET 18 5.800 12.713 4.045 124 1HB MET 18 1HB MET 18 4.398 11.418 5.324 125 2HB MET 18 2HB MET 18 2.999 11.683 4.301 126 1HG MET 18 1HG MET 18 2.565 13.899 5.334 127 2HG MET 18 2HG MET 18 2.685 12.651 6.584 128 1HE MET 18 1HE MET 18 4.977 14.055 9.025 129 2HE MET 18 2HE MET 18 3.432 14.856 8.613 130 3HE MET 18 3HE MET 18 3.552 13.073 8.557 131 H ILE 19 H ILE 19 3.113 13.367 1.861 132 HA ILE 19 HA ILE 19 3.037 10.857 0.369 133 HB ILE 19 HB ILE 19 2.144 13.672 -0.372 134 1HG1 ILE 19 1HG1 ILE 19 -0.127 12.817 -0.185 135 2HG1 ILE 19 2HG1 ILE 19 0.401 11.147 -0.166 136 1HG2 ILE 19 1HG2 ILE 19 1.165 12.806 -2.508 137 2HG2 ILE 19 2HG2 ILE 19 2.918 12.624 -2.522 138 3HG2 ILE 19 3HG2 ILE 19 1.890 11.205 -2.218 139 1HD1 ILE 19 1HD1 ILE 19 0.824 13.116 2.157 140 2HD1 ILE 19 2HD1 ILE 19 -0.298 11.742 2.085 141 3HD1 ILE 19 3HD1 ILE 19 1.457 11.448 2.108 142 H ALA 20 H ALA 20 4.828 13.900 -0.140 143 HA ALA 20 HA ALA 20 6.273 13.447 -2.525 144 1HB ALA 20 1HB ALA 20 7.581 14.640 -0.017 145 2HB ALA 20 2HB ALA 20 7.969 14.989 -1.713 146 3HB ALA 20 3HB ALA 20 6.412 15.521 -1.030 147 H GLU 21 H GLU 21 7.473 12.575 0.741 148 HA GLU 21 HA GLU 21 9.775 10.997 -0.290 149 1HB GLU 21 1HB GLU 21 10.139 10.425 2.162 150 2HB GLU 21 2HB GLU 21 8.703 11.348 2.559 151 1HG GLU 21 1HG GLU 21 10.883 12.759 0.952 152 2HG GLU 21 2HG GLU 21 9.723 13.441 2.080 153 H PHE 22 H PHE 22 6.464 10.316 0.265 154 HA PHE 22 HA PHE 22 6.639 7.530 1.247 155 1HB PHE 22 1HB PHE 22 4.129 7.530 0.300 156 2HB PHE 22 2HB PHE 22 4.369 9.251 0.150 157 HD1 PHE 22 HD1 PHE 22 2.535 9.598 1.862 158 HD2 PHE 22 HD2 PHE 22 6.187 7.578 2.916 159 HE1 PHE 22 HE1 PHE 22 1.851 9.571 4.224 160 HE2 PHE 22 HE2 PHE 22 5.484 7.563 5.275 161 HZ PHE 22 HZ PHE 22 3.292 8.501 5.924 162 H LYS 23 H LYS 23 5.428 8.811 -1.869 163 HA LYS 23 HA LYS 23 5.485 6.492 -3.517 164 1HB LYS 23 1HB LYS 23 6.125 8.149 -5.459 165 2HB LYS 23 2HB LYS 23 4.576 8.303 -4.658 166 1HG LYS 23 1HG LYS 23 6.311 10.004 -3.158 167 2HG LYS 23 2HG LYS 23 6.842 10.210 -4.816 168 1HD LYS 23 1HD LYS 23 4.990 11.832 -3.898 169 2HD LYS 23 2HD LYS 23 3.893 10.465 -4.005 170 1HE LYS 23 1HE LYS 23 4.839 10.343 -6.562 171 2HE LYS 23 2HE LYS 23 3.442 11.321 -6.109 172 1HZ LYS 23 1HZ LYS 23 6.120 12.542 -5.912 173 2HZ LYS 23 2HZ LYS 23 5.449 12.350 -7.409 174 3HZ LYS 23 3HZ LYS 23 4.671 13.252 -6.264 175 H ALA 24 H ALA 24 8.143 8.560 -2.465 176 HA ALA 24 HA ALA 24 10.313 7.873 -4.156 177 1HB ALA 24 1HB ALA 24 11.834 8.378 -2.255 178 2HB ALA 24 2HB ALA 24 10.513 9.558 -2.351 179 3HB ALA 24 3HB ALA 24 10.479 8.285 -1.105 180 H ALA 25 H ALA 25 9.462 6.203 -1.102 181 HA ALA 25 HA ALA 25 11.394 3.994 -1.391 182 1HB ALA 25 1HB ALA 25 10.227 2.989 0.563 183 2HB ALA 25 2HB ALA 25 10.566 4.709 0.832 184 3HB ALA 25 3HB ALA 25 8.912 4.181 0.432 185 H PHE 26 H PHE 26 8.037 4.494 -2.310 186 HA PHE 26 HA PHE 26 7.157 1.804 -2.875 187 1HB PHE 26 1HB PHE 26 6.326 4.288 -4.485 188 2HB PHE 26 2HB PHE 26 5.745 3.966 -2.872 189 HD1 PHE 26 HD1 PHE 26 4.077 4.192 -5.488 190 HD2 PHE 26 HD2 PHE 26 5.628 0.775 -3.385 191 HE1 PHE 26 HE1 PHE 26 2.277 2.791 -6.415 192 HE2 PHE 26 HE2 PHE 26 3.811 -0.607 -4.308 193 HZ PHE 26 HZ PHE 26 2.133 0.397 -5.818 194 H ASP 27 H ASP 27 9.092 4.085 -4.750 195 HA ASP 27 HA ASP 27 9.056 2.556 -7.300 196 1HB ASP 27 1HB ASP 27 9.504 5.166 -6.870 197 2HB ASP 27 2HB ASP 27 11.174 4.663 -6.742 198 H MET 28 H MET 28 11.067 2.667 -4.440 199 HA MET 28 HA MET 28 13.498 1.379 -5.375 200 1HB MET 28 1HB MET 28 13.565 0.392 -2.903 201 2HB MET 28 2HB MET 28 12.179 1.432 -2.628 202 1HG MET 28 1HG MET 28 14.629 2.720 -3.903 203 2HG MET 28 2HG MET 28 13.426 3.422 -2.810 204 1HE MET 28 1HE MET 28 14.703 4.555 -1.367 205 2HE MET 28 2HE MET 28 15.528 3.871 0.064 206 3HE MET 28 3HE MET 28 16.451 4.165 -1.438 207 H PHE 29 H PHE 29 10.339 0.098 -4.465 208 HA PHE 29 HA PHE 29 11.237 -2.775 -5.106 209 1HB PHE 29 1HB PHE 29 9.223 -3.523 -3.741 210 2HB PHE 29 2HB PHE 29 8.905 -1.865 -3.313 211 HD1 PHE 29 HD1 PHE 29 9.121 -3.446 -1.031 212 HD2 PHE 29 HD2 PHE 29 12.415 -1.928 -3.350 213 HE1 PHE 29 HE1 PHE 29 10.586 -3.573 0.943 214 HE2 PHE 29 HE2 PHE 29 13.863 -2.072 -1.366 215 HZ PHE 29 HZ PHE 29 12.956 -2.893 0.778 216 H ASP 30 H ASP 30 10.539 -0.753 -7.021 217 HA ASP 30 HA ASP 30 7.964 -1.908 -8.222 218 1HB ASP 30 1HB ASP 30 7.885 0.606 -7.442 219 2HB ASP 30 2HB ASP 30 8.889 0.938 -8.834 220 H ALA 31 H ALA 31 9.077 -3.474 -9.321 221 HA ALA 31 HA ALA 31 11.437 -3.096 -11.036 222 1HB ALA 31 1HB ALA 31 10.886 -5.363 -11.931 223 2HB ALA 31 2HB ALA 31 10.808 -5.321 -10.159 224 3HB ALA 31 3HB ALA 31 9.304 -5.333 -11.116 225 H ASP 32 H ASP 32 7.979 -2.734 -11.499 226 HA ASP 32 HA ASP 32 8.070 -2.669 -14.500 227 1HB ASP 32 1HB ASP 32 5.597 -1.911 -14.284 228 2HB ASP 32 2HB ASP 32 5.755 -2.169 -12.561 229 H GLY 33 H GLY 33 6.262 -0.250 -12.710 230 1HA GLY 33 1HA GLY 33 7.451 1.945 -14.442 231 2HA GLY 33 2HA GLY 33 7.671 2.155 -12.704 232 H GLY 34 H GLY 34 4.872 0.680 -14.317 233 1HA GLY 34 1HA GLY 34 3.010 2.799 -14.653 234 2HA GLY 34 2HA GLY 34 2.516 1.176 -14.166 235 H GLY 35 H GLY 35 4.081 1.272 -11.667 236 1HA GLY 35 1HA GLY 35 4.089 2.677 -9.517 237 2HA GLY 35 2HA GLY 35 2.536 3.346 -10.026 238 H ASP 36 H ASP 36 3.665 -0.025 -10.041 239 HA ASP 36 HA ASP 36 1.675 -0.770 -7.853 240 1HB ASP 36 1HB ASP 36 1.423 -3.017 -9.398 241 2HB ASP 36 2HB ASP 36 1.649 -1.841 -10.673 242 H ILE 37 H ILE 37 2.201 -2.772 -6.818 243 HA ILE 37 HA ILE 37 4.937 -4.023 -7.259 244 HB ILE 37 HB ILE 37 5.653 -3.741 -4.921 245 1HG1 ILE 37 1HG1 ILE 37 3.217 -1.866 -4.618 246 2HG1 ILE 37 2HG1 ILE 37 4.607 -1.786 -3.556 247 1HG2 ILE 37 1HG2 ILE 37 6.485 -1.395 -5.133 248 2HG2 ILE 37 2HG2 ILE 37 6.519 -2.199 -6.708 249 3HG2 ILE 37 3HG2 ILE 37 5.235 -1.022 -6.344 250 1HD1 ILE 37 1HD1 ILE 37 4.243 -4.083 -2.705 251 2HD1 ILE 37 2HD1 ILE 37 2.764 -3.112 -2.540 252 3HD1 ILE 37 3HD1 ILE 37 2.888 -4.317 -3.842 253 H SER 38 H SER 38 5.118 -6.027 -6.125 254 HA SER 38 HA SER 38 2.624 -7.645 -6.106 255 1HB SER 38 1HB SER 38 5.282 -8.251 -6.505 256 2HB SER 38 2HB SER 38 5.075 -8.829 -4.850 257 HG SER 38 HG SER 38 4.535 -10.268 -6.660 258 H THR 39 H THR 39 1.869 -8.852 -4.284 259 HA THR 39 HA THR 39 1.662 -7.219 -1.769 260 HB THR 39 HB THR 39 -0.179 -8.519 -1.116 261 HG1 THR 39 HG1 THR 39 -0.427 -10.443 -2.835 262 1HG2 THR 39 1HG2 THR 39 -1.733 -8.601 -3.015 263 2HG2 THR 39 2HG2 THR 39 -0.721 -7.147 -3.172 264 3HG2 THR 39 3HG2 THR 39 -0.398 -8.575 -4.189 265 H LYS 40 H LYS 40 3.967 -9.287 -2.807 266 HA LYS 40 HA LYS 40 4.197 -11.094 -0.393 267 1HB LYS 40 1HB LYS 40 4.731 -11.746 -2.893 268 2HB LYS 40 2HB LYS 40 6.244 -10.894 -2.671 269 1HG LYS 40 1HG LYS 40 7.105 -12.836 -1.905 270 2HG LYS 40 2HG LYS 40 6.205 -12.580 -0.423 271 1HD LYS 40 1HD LYS 40 4.346 -14.019 -1.198 272 2HD LYS 40 2HD LYS 40 5.000 -14.058 -2.828 273 1HE LYS 40 1HE LYS 40 6.692 -15.612 -2.321 274 2HE LYS 40 2HE LYS 40 6.799 -15.147 -0.622 275 1HZ LYS 40 1HZ LYS 40 4.309 -16.402 -1.600 276 2HZ LYS 40 2HZ LYS 40 5.632 -17.351 -1.318 277 3HZ LYS 40 3HZ LYS 40 4.980 -16.456 -0.091 278 H GLU 41 H GLU 41 5.708 -8.280 -1.885 279 HA GLU 41 HA GLU 41 7.822 -8.099 0.304 280 1HB GLU 41 1HB GLU 41 8.965 -6.448 -1.189 281 2HB GLU 41 2HB GLU 41 8.841 -8.071 -1.836 282 1HG GLU 41 1HG GLU 41 8.163 -5.673 -3.169 283 2HG GLU 41 2HG GLU 41 6.588 -6.306 -2.724 284 H LEU 42 H LEU 42 4.979 -6.531 -0.994 285 HA LEU 42 HA LEU 42 4.985 -3.871 -0.261 286 1HB LEU 42 1HB LEU 42 2.838 -5.980 -0.209 287 2HB LEU 42 2HB LEU 42 2.938 -4.499 -1.137 288 HG LEU 42 HG LEU 42 2.419 -4.325 1.874 289 1HD1 LEU 42 1HD1 LEU 42 0.176 -4.781 -0.193 290 2HD1 LEU 42 2HD1 LEU 42 0.788 -6.044 0.886 291 3HD1 LEU 42 3HD1 LEU 42 -0.003 -4.601 1.571 292 1HD2 LEU 42 1HD2 LEU 42 1.252 -2.226 1.301 293 2HD2 LEU 42 2HD2 LEU 42 2.845 -2.208 0.504 294 3HD2 LEU 42 3HD2 LEU 42 1.391 -2.564 -0.444 295 H GLY 43 H GLY 43 4.411 -6.561 2.030 296 1HA GLY 43 1HA GLY 43 4.473 -6.648 4.476 297 2HA GLY 43 2HA GLY 43 4.117 -4.920 4.463 298 H THR 44 H THR 44 6.871 -6.807 3.142 299 HA THR 44 HA THR 44 8.948 -6.167 4.910 300 HB THR 44 HB THR 44 8.941 -6.782 1.988 301 HG1 THR 44 HG1 THR 44 10.531 -8.226 2.806 302 1HG2 THR 44 1HG2 THR 44 11.403 -6.463 1.736 303 2HG2 THR 44 2HG2 THR 44 10.572 -4.902 1.906 304 3HG2 THR 44 3HG2 THR 44 11.466 -5.589 3.287 305 H VAL 45 H VAL 45 7.272 -4.067 2.677 306 HA VAL 45 HA VAL 45 9.144 -1.757 2.794 307 HB VAL 45 HB VAL 45 6.205 -1.498 2.038 308 1HG1 VAL 45 1HG1 VAL 45 8.382 -2.437 0.067 309 2HG1 VAL 45 2HG1 VAL 45 7.209 -3.530 0.810 310 3HG1 VAL 45 3HG1 VAL 45 6.641 -2.222 -0.252 311 1HG2 VAL 45 1HG2 VAL 45 6.931 0.298 0.554 312 2HG2 VAL 45 2HG2 VAL 45 7.703 0.608 2.126 313 3HG2 VAL 45 3HG2 VAL 45 8.654 -0.085 0.805 314 H MET 46 H MET 46 5.970 -2.554 4.257 315 HA MET 46 HA MET 46 5.532 -0.280 5.941 316 1HB MET 46 1HB MET 46 4.873 -3.156 6.798 317 2HB MET 46 2HB MET 46 4.126 -1.678 7.377 318 1HG MET 46 1HG MET 46 3.474 -1.324 4.775 319 2HG MET 46 2HG MET 46 3.737 -3.074 4.697 320 1HE MET 46 1HE MET 46 1.434 -3.796 8.163 321 2HE MET 46 2HE MET 46 2.808 -4.480 7.244 322 3HE MET 46 3HE MET 46 3.039 -3.002 8.224 323 NH1 ARG 47 NH1 ARG 47 10.934 -5.626 12.799 324 NH2 ARG 47 NH2 ARG 47 10.848 -7.895 12.758 325 H ARG 47 H ARG 47 7.800 -2.934 6.299 326 HA ARG 47 HA ARG 47 8.565 -2.158 9.149 327 1HB ARG 47 1HB ARG 47 8.194 -4.648 8.069 328 2HB ARG 47 2HB ARG 47 9.905 -4.455 7.713 329 1HG ARG 47 1HG ARG 47 8.566 -4.854 10.361 330 2HG ARG 47 2HG ARG 47 9.837 -3.629 10.389 331 1HD ARG 47 1HD ARG 47 11.535 -5.173 10.127 332 2HD ARG 47 2HD ARG 47 10.677 -6.068 8.874 333 HE ARG 47 HE ARG 47 9.576 -7.442 10.614 334 1HH1 ARG 47 1HH1 ARG 47 11.249 -7.849 13.702 335 2HH1 ARG 47 2HH1 ARG 47 10.567 -8.741 12.250 336 1HH2 ARG 47 1HH2 ARG 47 10.899 -4.749 12.267 337 2HH2 ARG 47 2HH2 ARG 47 11.141 -5.731 13.799 338 H MET 48 H MET 48 9.731 -2.111 5.841 339 HA MET 48 HA MET 48 12.620 -1.705 6.482 340 1HB MET 48 1HB MET 48 12.581 -0.950 3.890 341 2HB MET 48 2HB MET 48 11.002 -1.716 3.911 342 1HG MET 48 1HG MET 48 12.364 -3.778 5.044 343 2HG MET 48 2HG MET 48 12.283 -3.555 3.289 344 1HE MET 48 1HE MET 48 15.015 -5.092 5.078 345 2HE MET 48 2HE MET 48 14.227 -5.238 3.479 346 3HE MET 48 3HE MET 48 15.941 -4.740 3.585 347 H LEU 49 H LEU 49 9.993 0.296 6.858 348 HA LEU 49 HA LEU 49 11.384 2.905 6.194 349 1HB LEU 49 1HB LEU 49 9.274 3.897 7.351 350 2HB LEU 49 2HB LEU 49 8.643 2.266 7.419 351 HG LEU 49 HG LEU 49 8.775 2.113 4.885 352 1HD1 LEU 49 1HD1 LEU 49 9.442 5.124 4.954 353 2HD1 LEU 49 2HD1 LEU 49 10.617 3.852 4.573 354 3HD1 LEU 49 3HD1 LEU 49 9.215 4.111 3.506 355 1HD2 LEU 49 1HD2 LEU 49 6.772 3.466 4.436 356 2HD2 LEU 49 2HD2 LEU 49 6.644 2.872 6.110 357 3HD2 LEU 49 3HD2 LEU 49 7.122 4.549 5.807 358 H GLY 50 H GLY 50 10.544 0.819 8.910 359 1HA GLY 50 1HA GLY 50 12.548 0.903 10.734 360 2HA GLY 50 2HA GLY 50 12.091 2.607 10.852 361 H GLN 51 H GLN 51 10.163 -0.378 10.545 362 HA GLN 51 HA GLN 51 8.396 0.524 12.891 363 1HB GLN 51 1HB GLN 51 7.585 0.061 10.296 364 2HB GLN 51 2HB GLN 51 7.382 -1.550 10.961 365 1HG GLN 51 1HG GLN 51 5.264 -0.376 11.142 366 2HG GLN 51 2HG GLN 51 5.870 -0.672 12.759 367 1HE2 GLN 51 1HE2 GLN 51 5.052 3.144 11.618 368 2HE2 GLN 51 2HE2 GLN 51 4.470 1.612 10.791 369 H ASN 52 H ASN 52 7.268 -1.445 13.893 370 HA ASN 52 HA ASN 52 9.453 -3.348 14.777 371 1HB ASN 52 1HB ASN 52 8.502 -3.371 16.924 372 2HB ASN 52 2HB ASN 52 8.318 -1.709 16.406 373 1HD2 ASN 52 1HD2 ASN 52 4.707 -1.907 16.656 374 2HD2 ASN 52 2HD2 ASN 52 6.128 -0.973 15.967 375 HA PRO 53 HA PRO 53 5.004 -5.917 14.132 376 1HB PRO 53 1HB PRO 53 3.651 -5.590 12.155 377 2HB PRO 53 2HB PRO 53 5.044 -5.036 11.210 378 1HG PRO 53 1HG PRO 53 4.126 -2.941 11.757 379 2HG PRO 53 2HG PRO 53 3.517 -3.452 13.348 380 1HD PRO 53 1HD PRO 53 6.279 -2.514 12.534 381 2HD PRO 53 2HD PRO 53 5.529 -2.510 14.159 382 H THR 54 H THR 54 5.310 -8.032 13.723 383 HA THR 54 HA THR 54 8.009 -8.895 12.674 384 HB THR 54 HB THR 54 6.865 -9.654 14.934 385 HG1 THR 54 HG1 THR 54 8.144 -11.481 14.816 386 1HG2 THR 54 1HG2 THR 54 5.829 -11.899 14.848 387 2HG2 THR 54 2HG2 THR 54 4.816 -10.736 13.962 388 3HG2 THR 54 3HG2 THR 54 5.843 -11.885 13.068 389 H LYS 55 H LYS 55 7.229 -11.566 12.027 390 HA LYS 55 HA LYS 55 6.459 -11.121 9.152 391 1HB LYS 55 1HB LYS 55 7.013 -13.605 8.912 392 2HB LYS 55 2HB LYS 55 8.340 -12.560 9.374 393 1HG LYS 55 1HG LYS 55 7.227 -13.492 11.851 394 2HG LYS 55 2HG LYS 55 8.778 -13.894 11.143 395 1HD LYS 55 1HD LYS 55 6.263 -15.424 10.258 396 2HD LYS 55 2HD LYS 55 7.949 -15.895 10.110 397 1HE LYS 55 1HE LYS 55 6.806 -15.520 12.917 398 2HE LYS 55 2HE LYS 55 6.411 -16.990 12.024 399 1HZ LYS 55 1HZ LYS 55 8.614 -17.669 12.056 400 2HZ LYS 55 2HZ LYS 55 9.239 -16.147 12.213 401 3HZ LYS 55 3HZ LYS 55 8.525 -16.885 13.508 402 H GLU 56 H GLU 56 5.262 -12.816 12.028 403 HA GLU 56 HA GLU 56 3.055 -14.279 10.779 404 1HB GLU 56 1HB GLU 56 4.090 -14.809 13.028 405 2HB GLU 56 2HB GLU 56 3.258 -13.428 13.715 406 1HG GLU 56 1HG GLU 56 1.746 -15.739 12.342 407 2HG GLU 56 2HG GLU 56 1.045 -14.450 13.306 408 H GLU 57 H GLU 57 3.383 -11.054 12.156 409 HA GLU 57 HA GLU 57 0.508 -10.285 12.053 410 1HB GLU 57 1HB GLU 57 2.707 -8.200 11.997 411 2HB GLU 57 2HB GLU 57 1.126 -8.139 12.751 412 1HG GLU 57 1HG GLU 57 3.697 -9.402 13.786 413 2HG GLU 57 2HG GLU 57 2.184 -10.135 14.293 414 H LEU 58 H LEU 58 3.341 -10.014 9.948 415 HA LEU 58 HA LEU 58 2.309 -8.338 7.825 416 1HB LEU 58 1HB LEU 58 4.718 -9.147 8.098 417 2HB LEU 58 2HB LEU 58 4.232 -10.711 7.479 418 HG LEU 58 HG LEU 58 3.728 -8.200 5.798 419 1HD1 LEU 58 1HD1 LEU 58 5.976 -8.511 4.713 420 2HD1 LEU 58 2HD1 LEU 58 6.138 -8.053 6.415 421 3HD1 LEU 58 3HD1 LEU 58 6.402 -9.745 5.927 422 1HD2 LEU 58 1HD2 LEU 58 4.288 -11.134 4.995 423 2HD2 LEU 58 2HD2 LEU 58 2.693 -10.341 4.998 424 3HD2 LEU 58 3HD2 LEU 58 3.952 -9.787 3.879 425 H ASP 59 H ASP 59 1.911 -11.767 8.533 426 HA ASP 59 HA ASP 59 0.622 -12.567 6.009 427 1HB ASP 59 1HB ASP 59 1.017 -13.912 8.691 428 2HB ASP 59 2HB ASP 59 1.540 -14.403 7.096 429 H ALA 60 H ALA 60 -0.515 -11.269 9.073 430 HA ALA 60 HA ALA 60 -3.409 -11.605 8.751 431 1HB ALA 60 1HB ALA 60 -3.614 -9.791 10.446 432 2HB ALA 60 2HB ALA 60 -2.400 -10.992 10.926 433 3HB ALA 60 3HB ALA 60 -1.883 -9.408 10.293 434 H ILE 61 H ILE 61 -1.294 -8.782 8.095 435 HA ILE 61 HA ILE 61 -3.108 -6.989 6.882 436 HB ILE 61 HB ILE 61 -0.136 -7.349 6.579 437 1HG1 ILE 61 1HG1 ILE 61 -0.348 -4.738 7.117 438 2HG1 ILE 61 2HG1 ILE 61 -1.998 -5.115 7.561 439 1HG2 ILE 61 1HG2 ILE 61 0.057 -5.514 4.879 440 2HG2 ILE 61 2HG2 ILE 61 -0.805 -6.897 4.207 441 3HG2 ILE 61 3HG2 ILE 61 -1.716 -5.456 4.715 442 1HD1 ILE 61 1HD1 ILE 61 0.474 -6.334 8.924 443 2HD1 ILE 61 2HD1 ILE 61 -0.650 -5.127 9.585 444 3HD1 ILE 61 3HD1 ILE 61 -1.216 -6.786 9.282 445 H ILE 62 H ILE 62 -1.461 -9.822 5.575 446 HA ILE 62 HA ILE 62 -2.100 -9.434 2.710 447 HB ILE 62 HB ILE 62 -0.371 -11.100 4.035 448 1HG1 ILE 62 1HG1 ILE 62 0.286 -11.994 1.873 449 2HG1 ILE 62 2HG1 ILE 62 -1.325 -11.836 1.207 450 1HG2 ILE 62 1HG2 ILE 62 -1.026 -13.489 3.641 451 2HG2 ILE 62 2HG2 ILE 62 -2.154 -12.719 4.755 452 3HG2 ILE 62 3HG2 ILE 62 -2.629 -12.974 3.060 453 1HD1 ILE 62 1HD1 ILE 62 0.535 -9.461 1.803 454 2HD1 ILE 62 2HD1 ILE 62 0.071 -10.110 0.217 455 3HD1 ILE 62 3HD1 ILE 62 -1.152 -9.317 1.236 456 H GLU 63 H GLU 63 -3.587 -11.200 5.408 457 HA GLU 63 HA GLU 63 -5.684 -12.587 3.956 458 1HB GLU 63 1HB GLU 63 -5.589 -13.509 6.016 459 2HB GLU 63 2HB GLU 63 -5.107 -12.023 6.810 460 1HG GLU 63 1HG GLU 63 -7.683 -11.313 6.443 461 2HG GLU 63 2HG GLU 63 -7.189 -12.313 7.799 462 H GLU 64 H GLU 64 -5.527 -9.337 5.344 463 HA GLU 64 HA GLU 64 -8.397 -8.670 5.070 464 1HB GLU 64 1HB GLU 64 -6.727 -7.592 6.690 465 2HB GLU 64 2HB GLU 64 -6.099 -6.667 5.341 466 1HG GLU 64 1HG GLU 64 -8.108 -5.365 5.114 467 2HG GLU 64 2HG GLU 64 -9.098 -6.547 5.954 468 H VAL 65 H VAL 65 -5.464 -7.958 3.181 469 HA VAL 65 HA VAL 65 -6.704 -6.181 1.196 470 HB VAL 65 HB VAL 65 -4.624 -6.684 -0.219 471 1HG1 VAL 65 1HG1 VAL 65 -3.150 -5.253 1.209 472 2HG1 VAL 65 2HG1 VAL 65 -4.818 -4.650 1.221 473 3HG1 VAL 65 3HG1 VAL 65 -4.190 -5.546 2.625 474 1HG2 VAL 65 1HG2 VAL 65 -3.661 -8.192 2.309 475 2HG2 VAL 65 2HG2 VAL 65 -3.921 -8.900 0.697 476 3HG2 VAL 65 3HG2 VAL 65 -2.639 -7.704 0.935 477 H ASP 66 H ASP 66 -6.271 -9.667 1.486 478 HA ASP 66 HA ASP 66 -7.484 -10.149 -1.283 479 1HB ASP 66 1HB ASP 66 -5.929 -12.215 0.366 480 2HB ASP 66 2HB ASP 66 -5.151 -11.112 -0.746 481 H GLU 67 H GLU 67 -9.258 -9.332 0.470 482 HA GLU 67 HA GLU 67 -10.634 -11.499 2.011 483 1HB GLU 67 1HB GLU 67 -11.125 -9.449 2.952 484 2HB GLU 67 2HB GLU 67 -11.209 -8.602 1.421 485 1HG GLU 67 1HG GLU 67 -13.450 -8.628 2.324 486 2HG GLU 67 2HG GLU 67 -13.461 -9.729 0.957 487 H ASP 68 H ASP 68 -10.997 -9.867 -1.124 488 HA ASP 68 HA ASP 68 -12.266 -12.307 -2.335 489 1HB ASP 68 1HB ASP 68 -14.362 -11.519 -2.947 490 2HB ASP 68 2HB ASP 68 -14.197 -10.881 -1.327 491 H GLY 69 H GLY 69 -11.597 -12.539 -4.355 492 1HA GLY 69 1HA GLY 69 -10.939 -10.295 -6.239 493 2HA GLY 69 2HA GLY 69 -10.749 -12.019 -6.574 494 H SER 70 H SER 70 -8.721 -11.617 -7.469 495 HA SER 70 HA SER 70 -6.437 -10.935 -5.538 496 1HB SER 70 1HB SER 70 -6.927 -13.507 -6.140 497 2HB SER 70 2HB SER 70 -6.005 -13.118 -7.595 498 HG SER 70 HG SER 70 -5.036 -12.241 -5.116 499 H GLY 71 H GLY 71 -4.520 -10.182 -6.578 500 1HA GLY 71 1HA GLY 71 -4.999 -8.418 -8.975 501 2HA GLY 71 2HA GLY 71 -3.870 -9.738 -9.300 502 H THR 72 H THR 72 -3.470 -6.830 -9.158 503 HA THR 72 HA THR 72 -1.020 -6.864 -7.378 504 HB THR 72 HB THR 72 -0.291 -4.813 -8.715 505 HG1 THR 72 HG1 THR 72 -1.359 -4.942 -10.868 506 1HG2 THR 72 1HG2 THR 72 -0.532 -6.981 -10.795 507 2HG2 THR 72 2HG2 THR 72 0.894 -6.059 -10.268 508 3HG2 THR 72 3HG2 THR 72 0.310 -7.435 -9.296 509 H ILE 73 H ILE 73 -0.439 -4.480 -6.658 510 HA ILE 73 HA ILE 73 -2.883 -3.022 -5.623 511 HB ILE 73 HB ILE 73 -2.068 -4.615 -3.860 512 1HG1 ILE 73 1HG1 ILE 73 -2.385 -1.626 -3.349 513 2HG1 ILE 73 2HG1 ILE 73 -3.551 -2.921 -3.151 514 1HG2 ILE 73 1HG2 ILE 73 -0.095 -4.141 -2.456 515 2HG2 ILE 73 2HG2 ILE 73 0.436 -4.374 -4.128 516 3HG2 ILE 73 3HG2 ILE 73 0.344 -2.731 -3.448 517 1HD1 ILE 73 1HD1 ILE 73 -1.352 -2.092 -1.226 518 2HD1 ILE 73 2HD1 ILE 73 -3.050 -2.516 -0.919 519 3HD1 ILE 73 3HD1 ILE 73 -1.862 -3.803 -1.238 520 H ASP 74 H ASP 74 -2.581 -0.817 -5.242 521 HA ASP 74 HA ASP 74 -0.111 0.423 -6.585 522 1HB ASP 74 1HB ASP 74 -1.305 1.753 -7.907 523 2HB ASP 74 2HB ASP 74 -2.372 2.220 -6.615 524 H PHE 75 H PHE 75 -0.614 3.033 -6.010 525 HA PHE 75 HA PHE 75 0.575 3.175 -3.306 526 1HB PHE 75 1HB PHE 75 -0.135 5.448 -5.254 527 2HB PHE 75 2HB PHE 75 1.373 4.570 -5.244 528 HD1 PHE 75 HD1 PHE 75 -0.562 7.276 -3.692 529 HD2 PHE 75 HD2 PHE 75 2.923 4.807 -3.161 530 HE1 PHE 75 HE1 PHE 75 0.383 8.927 -2.132 531 HE2 PHE 75 HE2 PHE 75 3.834 6.456 -1.573 532 HZ PHE 75 HZ PHE 75 2.568 8.510 -1.053 533 H GLU 76 H GLU 76 -2.601 3.621 -4.660 534 HA GLU 76 HA GLU 76 -3.810 5.384 -2.663 535 1HB GLU 76 1HB GLU 76 -5.017 3.394 -4.634 536 2HB GLU 76 2HB GLU 76 -6.025 4.221 -3.463 537 1HG GLU 76 1HG GLU 76 -6.009 5.347 -5.712 538 2HG GLU 76 2HG GLU 76 -5.505 6.422 -4.419 539 H GLU 77 H GLU 77 -4.505 1.909 -3.082 540 HA GLU 77 HA GLU 77 -5.454 1.250 -0.448 541 1HB GLU 77 1HB GLU 77 -3.745 -0.720 -2.029 542 2HB GLU 77 2HB GLU 77 -5.036 -1.058 -0.892 543 1HG GLU 77 1HG GLU 77 -5.653 0.455 -3.493 544 2HG GLU 77 2HG GLU 77 -5.453 -1.289 -3.510 545 H PHE 78 H PHE 78 -2.212 1.879 -1.594 546 HA PHE 78 HA PHE 78 -0.677 0.559 0.520 547 1HB PHE 78 1HB PHE 78 0.465 1.038 -1.525 548 2HB PHE 78 2HB PHE 78 0.014 2.722 -1.529 549 HD1 PHE 78 HD1 PHE 78 1.184 1.370 1.725 550 HD2 PHE 78 HD2 PHE 78 2.437 3.305 -1.908 551 HE1 PHE 78 HE1 PHE 78 3.452 1.644 2.640 552 HE2 PHE 78 HE2 PHE 78 4.699 3.571 -0.975 553 HZ PHE 78 HZ PHE 78 5.226 2.691 1.274 554 H LEU 79 H LEU 79 -1.842 3.911 0.125 555 HA LEU 79 HA LEU 79 -0.626 4.897 2.692 556 1HB LEU 79 1HB LEU 79 -2.034 6.983 2.256 557 2HB LEU 79 2HB LEU 79 -0.773 6.615 1.101 558 HG LEU 79 HG LEU 79 -2.601 5.593 -0.435 559 1HD1 LEU 79 1HD1 LEU 79 -4.962 6.316 -0.043 560 2HD1 LEU 79 2HD1 LEU 79 -4.402 5.274 1.278 561 3HD1 LEU 79 3HD1 LEU 79 -4.511 7.035 1.523 562 1HD2 LEU 79 1HD2 LEU 79 -2.766 8.612 0.214 563 2HD2 LEU 79 2HD2 LEU 79 -1.624 7.839 -0.914 564 3HD2 LEU 79 3HD2 LEU 79 -3.355 7.838 -1.279 565 H VAL 80 H VAL 80 -3.626 3.487 1.573 566 HA VAL 80 HA VAL 80 -5.389 4.122 3.808 567 HB VAL 80 HB VAL 80 -5.450 1.718 1.918 568 1HG1 VAL 80 1HG1 VAL 80 -7.285 4.194 1.912 569 2HG1 VAL 80 2HG1 VAL 80 -5.838 4.064 0.904 570 3HG1 VAL 80 3HG1 VAL 80 -7.173 2.910 0.680 571 1HG2 VAL 80 1HG2 VAL 80 -7.740 1.226 2.640 572 2HG2 VAL 80 2HG2 VAL 80 -6.722 1.212 4.099 573 3HG2 VAL 80 3HG2 VAL 80 -7.758 2.607 3.763 574 H MET 81 H MET 81 -3.046 1.515 3.224 575 HA MET 81 HA MET 81 -3.668 -0.005 5.721 576 1HB MET 81 1HB MET 81 -1.721 -1.437 5.128 577 2HB MET 81 2HB MET 81 -2.883 -1.282 3.824 578 1HG MET 81 1HG MET 81 -0.353 0.468 3.880 579 2HG MET 81 2HG MET 81 -1.416 0.128 2.505 580 1HE MET 81 1HE MET 81 -1.818 -3.229 3.658 581 2HE MET 81 2HE MET 81 -2.015 -2.635 1.983 582 3HE MET 81 3HE MET 81 -0.838 -3.934 2.333 583 H MET 82 H MET 82 -1.384 2.462 4.688 584 HA MET 82 HA MET 82 0.558 2.221 6.891 585 1HB MET 82 1HB MET 82 0.092 4.150 4.638 586 2HB MET 82 2HB MET 82 0.812 4.872 6.065 587 1HG MET 82 1HG MET 82 2.455 3.998 4.270 588 2HG MET 82 2HG MET 82 2.794 3.518 5.940 589 1HE MET 82 1HE MET 82 3.751 0.324 5.676 590 2HE MET 82 2HE MET 82 3.192 1.640 6.750 591 3HE MET 82 3HE MET 82 2.195 0.170 6.551 592 H VAL 83 H VAL 83 -2.387 4.102 6.367 593 HA VAL 83 HA VAL 83 -2.165 5.806 8.801 594 HB VAL 83 HB VAL 83 -4.768 6.091 8.317 595 1HG1 VAL 83 1HG1 VAL 83 -3.844 5.239 5.503 596 2HG1 VAL 83 2HG1 VAL 83 -4.822 4.206 6.555 597 3HG1 VAL 83 3HG1 VAL 83 -5.470 5.769 6.006 598 1HG2 VAL 83 1HG2 VAL 83 -4.313 8.007 6.875 599 2HG2 VAL 83 2HG2 VAL 83 -2.928 7.877 7.984 600 3HG2 VAL 83 3HG2 VAL 83 -2.768 7.317 6.313 601 NH1 ARG 84 NH1 ARG 84 -9.794 -0.514 8.668 602 NH2 ARG 84 NH2 ARG 84 -10.336 -1.258 6.592 603 H ARG 84 H ARG 84 -4.029 2.910 7.839 604 HA ARG 84 HA ARG 84 -5.485 2.280 10.226 605 1HB ARG 84 1HB ARG 84 -4.342 0.593 7.982 606 2HB ARG 84 2HB ARG 84 -4.809 -0.245 9.455 607 1HG ARG 84 1HG ARG 84 -7.109 1.001 9.282 608 2HG ARG 84 2HG ARG 84 -6.628 1.431 7.640 609 1HD ARG 84 1HD ARG 84 -6.127 -1.198 7.374 610 2HD ARG 84 2HD ARG 84 -7.179 -1.363 8.778 611 HE ARG 84 HE ARG 84 -8.043 -0.319 6.057 612 1HH1 ARG 84 1HH1 ARG 84 -11.265 -1.443 6.987 613 2HH1 ARG 84 2HH1 ARG 84 -10.044 -1.393 5.618 614 1HH2 ARG 84 1HH2 ARG 84 -9.052 -0.259 9.330 615 2HH2 ARG 84 2HH2 ARG 84 -10.800 -0.565 8.863 616 H GLN 85 H GLN 85 -2.086 1.598 9.414 617 HA GLN 85 HA GLN 85 -1.521 -0.011 11.873 618 1HB GLN 85 1HB GLN 85 0.987 0.640 10.922 619 2HB GLN 85 2HB GLN 85 0.041 0.886 9.464 620 1HG GLN 85 1HG GLN 85 -0.844 -1.451 9.581 621 2HG GLN 85 2HG GLN 85 0.901 -1.394 9.444 622 1HE2 GLN 85 1HE2 GLN 85 1.390 -3.222 12.485 623 2HE2 GLN 85 2HE2 GLN 85 2.140 -2.335 11.065 624 H MET 86 H MET 86 -1.163 3.318 10.791 625 HA MET 86 HA MET 86 0.774 4.339 12.710 626 1HB MET 86 1HB MET 86 -1.392 6.256 11.888 627 2HB MET 86 2HB MET 86 -0.573 5.449 10.563 628 1HG MET 86 1HG MET 86 1.399 6.461 12.547 629 2HG MET 86 2HG MET 86 1.315 6.720 10.797 630 1HE MET 86 1HE MET 86 1.689 8.896 10.237 631 2HE MET 86 2HE MET 86 0.915 10.381 10.864 632 3HE MET 86 3HE MET 86 2.200 9.579 11.813 633 H LYS 87 H LYS 87 -2.707 3.813 12.868 634 HA LYS 87 HA LYS 87 -3.256 5.209 15.426 635 1HB LYS 87 1HB LYS 87 -4.859 3.998 13.461 636 2HB LYS 87 2HB LYS 87 -5.031 2.882 14.799 637 1HG LYS 87 1HG LYS 87 -6.070 4.497 16.204 638 2HG LYS 87 2HG LYS 87 -5.389 5.862 15.341 639 1HD LYS 87 1HD LYS 87 -6.947 5.478 13.408 640 2HD LYS 87 2HD LYS 87 -7.528 3.999 14.156 641 1HE LYS 87 1HE LYS 87 -8.846 6.380 14.398 642 2HE LYS 87 2HE LYS 87 -8.979 5.088 15.593 643 1HZ LYS 87 1HZ LYS 87 -7.476 6.195 17.011 644 2HZ LYS 87 2HZ LYS 87 -6.888 7.187 15.828 645 3HZ LYS 87 3HZ LYS 87 -8.415 7.416 16.414 646 H GLU 88 H GLU 88 -3.047 1.719 14.611 647 HA GLU 88 HA GLU 88 -2.952 0.682 17.344 648 1HB GLU 88 1HB GLU 88 -1.945 -0.562 14.734 649 2HB GLU 88 2HB GLU 88 -1.912 -1.396 16.274 650 1HG GLU 88 1HG GLU 88 -4.626 -0.416 15.941 651 2HG GLU 88 2HG GLU 88 -4.137 -1.074 14.389 652 H ASP 89 H ASP 89 -1.368 0.553 18.766 653 HA ASP 89 HA ASP 89 1.505 0.436 18.226 654 1HB ASP 89 1HB ASP 89 1.586 2.709 17.577 655 2HB ASP 89 2HB ASP 89 0.426 3.224 18.780 656 H ALA 90 H ALA 90 0.161 2.449 20.782 657 HA ALA 90 HA ALA 90 1.128 0.558 22.921 658 1HB ALA 90 1HB ALA 90 1.010 3.332 22.840 659 2HB ALA 90 2HB ALA 90 -0.468 2.980 23.756 660 3HB ALA 90 3HB ALA 90 1.105 2.399 24.354 Start of MODEL 36 Raw file had 660 H/Q atoms Start of MODEL 36 1 1H ALA 1 1H ALA 1 -18.793 -1.721 9.457 2 2H ALA 1 2H ALA 1 -17.371 -0.946 9.004 3 3H ALA 1 3H ALA 1 -18.052 -0.641 10.511 4 HA ALA 1 HA ALA 1 -20.099 0.115 9.249 5 1HB ALA 1 1HB ALA 1 -18.183 1.476 10.559 6 2HB ALA 1 2HB ALA 1 -17.762 2.055 8.936 7 3HB ALA 1 3HB ALA 1 -19.394 2.349 9.590 8 H SER 2 H SER 2 -19.456 2.174 7.370 9 HA SER 2 HA SER 2 -19.127 0.546 4.802 10 1HB SER 2 1HB SER 2 -21.128 1.557 4.420 11 2HB SER 2 2HB SER 2 -20.844 2.861 5.576 12 HG SER 2 HG SER 2 -20.734 3.835 3.691 13 H MET 3 H MET 3 -17.871 1.416 3.101 14 HA MET 3 HA MET 3 -15.679 3.417 3.898 15 1HB MET 3 1HB MET 3 -14.141 2.332 2.344 16 2HB MET 3 2HB MET 3 -15.392 1.264 1.736 17 1HG MET 3 1HG MET 3 -13.552 0.679 3.810 18 2HG MET 3 2HG MET 3 -15.068 0.960 4.680 19 1HE MET 3 1HE MET 3 -15.819 -1.199 5.525 20 2HE MET 3 2HE MET 3 -15.809 -2.756 4.646 21 3HE MET 3 3HE MET 3 -14.264 -1.988 5.115 22 H THR 4 H THR 4 -18.088 4.372 3.168 23 HA THR 4 HA THR 4 -18.717 4.950 0.419 24 HB THR 4 HB THR 4 -19.365 6.179 3.005 25 HG1 THR 4 HG1 THR 4 -20.561 4.964 1.233 26 1HG2 THR 4 1HG2 THR 4 -20.130 8.383 2.204 27 2HG2 THR 4 2HG2 THR 4 -18.361 8.294 2.055 28 3HG2 THR 4 3HG2 THR 4 -19.390 8.133 0.608 29 H ASP 5 H ASP 5 -16.159 6.147 2.507 30 HA ASP 5 HA ASP 5 -14.465 7.046 0.256 31 1HB ASP 5 1HB ASP 5 -16.312 8.986 0.767 32 2HB ASP 5 2HB ASP 5 -15.131 9.442 1.973 33 H GLN 6 H GLN 6 -13.732 5.255 1.845 34 HA GLN 6 HA GLN 6 -12.333 6.204 4.348 35 1HB GLN 6 1HB GLN 6 -12.824 3.520 3.041 36 2HB GLN 6 2HB GLN 6 -11.357 3.677 3.991 37 1HG GLN 6 1HG GLN 6 -13.836 2.983 5.012 38 2HG GLN 6 2HG GLN 6 -12.474 3.533 5.965 39 1HE2 GLN 6 1HE2 GLN 6 -14.170 6.512 7.000 40 2HE2 GLN 6 2HE2 GLN 6 -12.654 5.479 7.056 41 H GLN 7 H GLN 7 -11.613 5.288 1.015 42 HA GLN 7 HA GLN 7 -8.714 5.018 1.124 43 1HB GLN 7 1HB GLN 7 -10.198 6.124 -1.322 44 2HB GLN 7 2HB GLN 7 -8.669 5.264 -1.273 45 1HG GLN 7 1HG GLN 7 -9.926 3.468 -1.902 46 2HG GLN 7 2HG GLN 7 -10.220 3.294 -0.184 47 1HE2 GLN 7 1HE2 GLN 7 -13.300 4.876 -2.525 48 2HE2 GLN 7 2HE2 GLN 7 -11.546 5.218 -2.943 49 H ALA 8 H ALA 8 -10.845 7.825 0.802 50 HA ALA 8 HA ALA 8 -8.774 9.810 0.059 51 1HB ALA 8 1HB ALA 8 -10.505 11.416 0.077 52 2HB ALA 8 2HB ALA 8 -11.353 9.920 -0.356 53 3HB ALA 8 3HB ALA 8 -11.472 10.561 1.302 54 H GLU 9 H GLU 9 -10.295 8.719 3.061 55 HA GLU 9 HA GLU 9 -9.517 10.729 4.947 56 1HB GLU 9 1HB GLU 9 -9.810 7.717 5.397 57 2HB GLU 9 2HB GLU 9 -9.494 8.847 6.699 58 1HG GLU 9 1HG GLU 9 -11.863 9.544 4.945 59 2HG GLU 9 2HG GLU 9 -12.017 8.056 5.864 60 H ALA 10 H ALA 10 -7.649 8.111 3.508 61 HA ALA 10 HA ALA 10 -5.357 7.968 5.245 62 1HB ALA 10 1HB ALA 10 -4.144 6.966 3.316 63 2HB ALA 10 2HB ALA 10 -5.782 6.303 3.464 64 3HB ALA 10 3HB ALA 10 -5.419 7.501 2.196 65 NH1 ARG 11 NH1 ARG 11 -7.148 9.550 -2.061 66 NH2 ARG 11 NH2 ARG 11 -8.961 10.551 -2.995 67 H ARG 11 H ARG 11 -5.853 9.955 2.317 68 HA ARG 11 HA ARG 11 -3.194 11.298 2.373 69 1HB ARG 11 1HB ARG 11 -4.285 12.863 0.638 70 2HB ARG 11 2HB ARG 11 -4.106 11.166 0.219 71 1HG ARG 11 1HG ARG 11 -6.501 10.707 0.701 72 2HG ARG 11 2HG ARG 11 -6.745 12.362 1.263 73 1HD ARG 11 1HD ARG 11 -5.678 11.861 -1.573 74 2HD ARG 11 2HD ARG 11 -6.467 13.308 -0.949 75 HE ARG 11 HE ARG 11 -8.662 12.174 -1.117 76 1HH1 ARG 11 1HH1 ARG 11 -7.383 8.748 -2.655 77 2HH1 ARG 11 2HH1 ARG 11 -6.355 9.625 -1.414 78 1HH2 ARG 11 1HH2 ARG 11 -9.514 11.408 -3.107 79 2HH2 ARG 11 2HH2 ARG 11 -9.103 9.660 -3.483 80 H ALA 12 H ALA 12 -6.438 11.979 3.568 81 HA ALA 12 HA ALA 12 -6.020 14.848 4.195 82 1HB ALA 12 1HB ALA 12 -8.230 14.720 5.322 83 2HB ALA 12 2HB ALA 12 -8.283 13.941 3.728 84 3HB ALA 12 3HB ALA 12 -8.230 12.944 5.204 85 H PHE 13 H PHE 13 -4.723 12.123 5.640 86 HA PHE 13 HA PHE 13 -4.751 13.163 8.479 87 1HB PHE 13 1HB PHE 13 -4.920 10.637 7.722 88 2HB PHE 13 2HB PHE 13 -3.190 10.709 7.512 89 HD1 PHE 13 HD1 PHE 13 -4.158 8.771 9.420 90 HD2 PHE 13 HD2 PHE 13 -3.526 12.973 10.110 91 HE1 PHE 13 HE1 PHE 13 -3.772 8.332 11.811 92 HE2 PHE 13 HE2 PHE 13 -3.217 12.521 12.508 93 HZ PHE 13 HZ PHE 13 -3.313 10.203 13.360 94 H LEU 14 H LEU 14 -2.529 12.599 5.769 95 HA LEU 14 HA LEU 14 -0.200 13.900 7.243 96 1HB LEU 14 1HB LEU 14 0.529 11.855 6.334 97 2HB LEU 14 2HB LEU 14 1.153 13.063 5.231 98 HG LEU 14 HG LEU 14 -1.428 11.479 4.669 99 1HD1 LEU 14 1HD1 LEU 14 -1.081 12.206 2.303 100 2HD1 LEU 14 2HD1 LEU 14 -1.237 13.611 3.374 101 3HD1 LEU 14 3HD1 LEU 14 0.369 13.131 2.772 102 1HD2 LEU 14 1HD2 LEU 14 1.436 10.835 3.693 103 2HD2 LEU 14 2HD2 LEU 14 0.464 9.853 4.816 104 3HD2 LEU 14 3HD2 LEU 14 -0.055 10.037 3.134 105 H SER 15 H SER 15 1.248 15.145 5.570 106 HA SER 15 HA SER 15 -0.410 17.418 4.446 107 1HB SER 15 1HB SER 15 2.495 17.120 5.283 108 2HB SER 15 2HB SER 15 2.047 18.414 4.168 109 HG SER 15 HG SER 15 0.795 19.306 5.650 110 H GLU 16 H GLU 16 1.132 18.433 2.504 111 HA GLU 16 HA GLU 16 0.639 16.619 0.179 112 1HB GLU 16 1HB GLU 16 0.979 18.478 -1.247 113 2HB GLU 16 2HB GLU 16 0.068 19.060 0.133 114 1HG GLU 16 1HG GLU 16 2.260 20.014 1.103 115 2HG GLU 16 2HG GLU 16 3.076 19.522 -0.371 116 H GLU 17 H GLU 17 3.429 18.373 1.529 117 HA GLU 17 HA GLU 17 5.460 17.333 -0.325 118 1HB GLU 17 1HB GLU 17 7.045 18.528 0.787 119 2HB GLU 17 2HB GLU 17 5.614 19.389 1.317 120 1HG GLU 17 1HG GLU 17 5.746 17.680 3.422 121 2HG GLU 17 2HG GLU 17 7.419 17.515 2.915 122 H MET 18 H MET 18 4.168 16.224 2.759 123 HA MET 18 HA MET 18 6.038 14.112 3.453 124 1HB MET 18 1HB MET 18 4.164 14.978 4.946 125 2HB MET 18 2HB MET 18 3.013 14.075 3.979 126 1HG MET 18 1HG MET 18 4.552 11.954 4.577 127 2HG MET 18 2HG MET 18 3.363 12.570 5.735 128 1HE MET 18 1HE MET 18 5.997 10.746 6.339 129 2HE MET 18 2HE MET 18 6.683 11.499 7.809 130 3HE MET 18 3HE MET 18 4.923 11.209 7.696 131 H ILE 19 H ILE 19 3.163 14.140 1.365 132 HA ILE 19 HA ILE 19 3.074 11.319 0.604 133 HB ILE 19 HB ILE 19 2.118 13.786 -0.929 134 1HG1 ILE 19 1HG1 ILE 19 0.716 11.776 0.924 135 2HG1 ILE 19 2HG1 ILE 19 0.724 13.524 1.020 136 1HG2 ILE 19 1HG2 ILE 19 0.870 12.249 -2.463 137 2HG2 ILE 19 2HG2 ILE 19 2.604 11.960 -2.588 138 3HG2 ILE 19 3HG2 ILE 19 1.589 10.830 -1.663 139 1HD1 ILE 19 1HD1 ILE 19 -0.819 11.918 -1.101 140 2HD1 ILE 19 2HD1 ILE 19 -1.482 12.819 0.277 141 3HD1 ILE 19 3HD1 ILE 19 -0.702 13.699 -1.059 142 H ALA 20 H ALA 20 4.788 14.137 -0.738 143 HA ALA 20 HA ALA 20 5.924 13.119 -3.130 144 1HB ALA 20 1HB ALA 20 6.164 15.479 -1.857 145 2HB ALA 20 2HB ALA 20 7.743 14.814 -1.394 146 3HB ALA 20 3HB ALA 20 7.321 14.987 -3.117 147 H GLU 21 H GLU 21 7.069 12.692 0.209 148 HA GLU 21 HA GLU 21 9.604 11.331 -0.437 149 1HB GLU 21 1HB GLU 21 8.117 11.260 2.239 150 2HB GLU 21 2HB GLU 21 9.801 10.863 1.961 151 1HG GLU 21 1HG GLU 21 9.898 13.052 2.874 152 2HG GLU 21 2HG GLU 21 8.463 13.601 2.024 153 H PHE 22 H PHE 22 6.392 10.237 0.639 154 HA PHE 22 HA PHE 22 6.838 7.447 1.047 155 1HB PHE 22 1HB PHE 22 4.338 7.181 0.236 156 2HB PHE 22 2HB PHE 22 4.338 8.916 0.056 157 HD1 PHE 22 HD1 PHE 22 2.400 7.867 1.902 158 HD2 PHE 22 HD2 PHE 22 6.556 8.661 2.691 159 HE1 PHE 22 HE1 PHE 22 1.913 8.086 4.302 160 HE2 PHE 22 HE2 PHE 22 6.042 8.911 5.085 161 HZ PHE 22 HZ PHE 22 3.731 8.593 5.899 162 H LYS 23 H LYS 23 5.804 9.071 -1.964 163 HA LYS 23 HA LYS 23 5.611 6.817 -3.746 164 1HB LYS 23 1HB LYS 23 6.783 9.233 -5.053 165 2HB LYS 23 2HB LYS 23 5.347 8.318 -5.462 166 1HG LYS 23 1HG LYS 23 4.399 9.538 -3.206 167 2HG LYS 23 2HG LYS 23 5.659 10.693 -3.595 168 1HD LYS 23 1HD LYS 23 3.073 10.105 -5.065 169 2HD LYS 23 2HD LYS 23 3.849 11.638 -4.700 170 1HE LYS 23 1HE LYS 23 4.906 11.749 -6.715 171 2HE LYS 23 2HE LYS 23 5.526 10.101 -6.602 172 1HZ LYS 23 1HZ LYS 23 3.246 9.350 -7.299 173 2HZ LYS 23 2HZ LYS 23 2.830 10.927 -7.562 174 3HZ LYS 23 3HZ LYS 23 4.042 10.234 -8.446 175 H ALA 24 H ALA 24 8.407 8.727 -2.713 176 HA ALA 24 HA ALA 24 10.446 7.977 -4.576 177 1HB ALA 24 1HB ALA 24 12.095 8.486 -2.785 178 2HB ALA 24 2HB ALA 24 10.803 9.700 -2.830 179 3HB ALA 24 3HB ALA 24 10.812 8.459 -1.551 180 H ALA 25 H ALA 25 9.597 6.362 -1.496 181 HA ALA 25 HA ALA 25 11.534 4.146 -1.764 182 1HB ALA 25 1HB ALA 25 10.407 3.194 0.240 183 2HB ALA 25 2HB ALA 25 10.760 4.918 0.459 184 3HB ALA 25 3HB ALA 25 9.095 4.389 0.109 185 H PHE 26 H PHE 26 8.145 4.628 -2.586 186 HA PHE 26 HA PHE 26 7.220 1.921 -2.966 187 1HB PHE 26 1HB PHE 26 6.348 4.381 -4.595 188 2HB PHE 26 2HB PHE 26 5.777 4.017 -2.988 189 HD1 PHE 26 HD1 PHE 26 5.178 3.533 -6.493 190 HD2 PHE 26 HD2 PHE 26 4.631 1.579 -2.700 191 HE1 PHE 26 HE1 PHE 26 3.333 2.201 -7.434 192 HE2 PHE 26 HE2 PHE 26 2.789 0.255 -3.658 193 HZ PHE 26 HZ PHE 26 2.167 0.532 -6.033 194 H ASP 27 H ASP 27 8.839 4.162 -5.209 195 HA ASP 27 HA ASP 27 8.768 2.482 -7.612 196 1HB ASP 27 1HB ASP 27 10.376 4.943 -6.845 197 2HB ASP 27 2HB ASP 27 9.155 4.748 -8.082 198 H MET 28 H MET 28 10.892 2.649 -4.834 199 HA MET 28 HA MET 28 13.314 1.418 -5.662 200 1HB MET 28 1HB MET 28 12.371 2.102 -3.192 201 2HB MET 28 2HB MET 28 12.199 0.361 -3.061 202 1HG MET 28 1HG MET 28 14.369 0.564 -2.247 203 2HG MET 28 2HG MET 28 14.761 0.356 -3.961 204 1HE MET 28 1HE MET 28 17.419 2.997 -2.946 205 2HE MET 28 2HE MET 28 16.653 2.258 -1.509 206 3HE MET 28 3HE MET 28 17.002 1.255 -2.947 207 H PHE 29 H PHE 29 10.163 -0.060 -5.113 208 HA PHE 29 HA PHE 29 11.182 -2.880 -5.617 209 1HB PHE 29 1HB PHE 29 8.754 -3.561 -5.196 210 2HB PHE 29 2HB PHE 29 8.351 -1.887 -4.927 211 HD1 PHE 29 HD1 PHE 29 7.934 -4.105 -2.882 212 HD2 PHE 29 HD2 PHE 29 11.239 -1.401 -3.433 213 HE1 PHE 29 HE1 PHE 29 8.486 -4.273 -0.490 214 HE2 PHE 29 HE2 PHE 29 11.776 -1.589 -1.039 215 HZ PHE 29 HZ PHE 29 10.406 -3.021 0.434 216 H ASP 30 H ASP 30 8.703 -0.643 -6.906 217 HA ASP 30 HA ASP 30 8.580 -2.230 -9.500 218 1HB ASP 30 1HB ASP 30 6.415 -1.774 -8.341 219 2HB ASP 30 2HB ASP 30 6.474 -1.197 -9.990 220 H ALA 31 H ALA 31 10.790 -1.370 -9.882 221 HA ALA 31 HA ALA 31 11.257 1.484 -10.575 222 1HB ALA 31 1HB ALA 31 13.453 0.678 -11.453 223 2HB ALA 31 2HB ALA 31 13.123 0.046 -9.828 224 3HB ALA 31 3HB ALA 31 12.945 -1.015 -11.249 225 H ASP 32 H ASP 32 10.292 -1.444 -12.273 226 HA ASP 32 HA ASP 32 9.778 0.154 -14.834 227 1HB ASP 32 1HB ASP 32 9.990 -2.101 -16.082 228 2HB ASP 32 2HB ASP 32 10.716 -2.755 -14.632 229 H GLY 33 H GLY 33 7.707 0.665 -14.386 230 1HA GLY 33 1HA GLY 33 5.705 -1.275 -13.264 231 2HA GLY 33 2HA GLY 33 5.440 -0.946 -14.979 232 H GLY 34 H GLY 34 6.191 0.893 -12.003 233 1HA GLY 34 1HA GLY 34 5.202 2.891 -11.050 234 2HA GLY 34 2HA GLY 34 5.113 3.473 -12.717 235 H GLY 35 H GLY 35 3.472 1.115 -10.595 236 1HA GLY 35 1HA GLY 35 0.738 2.250 -11.115 237 2HA GLY 35 2HA GLY 35 0.996 0.707 -11.936 238 H ASP 36 H ASP 36 2.480 -0.744 -10.237 239 HA ASP 36 HA ASP 36 1.202 -0.845 -7.494 240 1HB ASP 36 1HB ASP 36 0.552 -3.346 -7.933 241 2HB ASP 36 2HB ASP 36 -0.536 -2.060 -8.402 242 H ILE 37 H ILE 37 2.009 -2.975 -6.418 243 HA ILE 37 HA ILE 37 4.832 -3.793 -7.235 244 HB ILE 37 HB ILE 37 5.800 -3.365 -5.048 245 1HG1 ILE 37 1HG1 ILE 37 4.065 -1.443 -3.789 246 2HG1 ILE 37 2HG1 ILE 37 3.026 -2.799 -4.173 247 1HG2 ILE 37 1HG2 ILE 37 6.056 -0.886 -5.219 248 2HG2 ILE 37 2HG2 ILE 37 6.014 -1.608 -6.834 249 3HG2 ILE 37 3HG2 ILE 37 4.579 -0.765 -6.205 250 1HD1 ILE 37 1HD1 ILE 37 5.568 -3.004 -2.457 251 2HD1 ILE 37 2HD1 ILE 37 3.879 -3.117 -1.919 252 3HD1 ILE 37 3HD1 ILE 37 4.562 -4.391 -2.954 253 H SER 38 H SER 38 5.531 -5.498 -5.473 254 HA SER 38 HA SER 38 3.433 -7.651 -5.360 255 1HB SER 38 1HB SER 38 6.118 -7.789 -5.754 256 2HB SER 38 2HB SER 38 6.102 -8.045 -4.007 257 HG SER 38 HG SER 38 4.337 -9.602 -4.513 258 H THR 39 H THR 39 2.458 -8.408 -3.569 259 HA THR 39 HA THR 39 2.177 -6.619 -1.193 260 HB THR 39 HB THR 39 0.218 -7.793 -2.209 261 HG1 THR 39 HG1 THR 39 0.245 -8.749 0.358 262 1HG2 THR 39 1HG2 THR 39 -0.335 -10.117 -1.641 263 2HG2 THR 39 2HG2 THR 39 1.185 -10.105 -2.565 264 3HG2 THR 39 3HG2 THR 39 1.214 -10.346 -0.798 265 H LYS 40 H LYS 40 3.775 -9.643 -2.008 266 HA LYS 40 HA LYS 40 4.238 -10.863 0.539 267 1HB LYS 40 1HB LYS 40 5.527 -11.007 -2.138 268 2HB LYS 40 2HB LYS 40 5.055 -12.293 -1.047 269 1HG LYS 40 1HG LYS 40 7.598 -11.892 -1.690 270 2HG LYS 40 2HG LYS 40 7.567 -10.629 -0.476 271 1HD LYS 40 1HD LYS 40 8.228 -12.312 0.958 272 2HD LYS 40 2HD LYS 40 6.507 -12.654 1.029 273 1HE LYS 40 1HE LYS 40 6.639 -14.524 -0.468 274 2HE LYS 40 2HE LYS 40 8.024 -14.708 0.610 275 1HZ LYS 40 1HZ LYS 40 9.281 -13.443 -1.255 276 2HZ LYS 40 2HZ LYS 40 8.900 -15.032 -1.502 277 3HZ LYS 40 3HZ LYS 40 8.001 -13.846 -2.219 278 H GLU 41 H GLU 41 5.927 -8.191 -1.047 279 HA GLU 41 HA GLU 41 7.854 -7.881 1.293 280 1HB GLU 41 1HB GLU 41 8.206 -6.136 -1.120 281 2HB GLU 41 2HB GLU 41 8.366 -7.857 -1.414 282 1HG GLU 41 1HG GLU 41 10.579 -6.859 -0.957 283 2HG GLU 41 2HG GLU 41 10.026 -6.169 0.559 284 H LEU 42 H LEU 42 5.283 -6.275 -0.490 285 HA LEU 42 HA LEU 42 5.231 -3.607 0.220 286 1HB LEU 42 1HB LEU 42 2.904 -5.597 0.230 287 2HB LEU 42 2HB LEU 42 3.406 -4.530 -1.065 288 HG LEU 42 HG LEU 42 2.511 -3.216 1.529 289 1HD1 LEU 42 1HD1 LEU 42 1.552 -1.518 -0.053 290 2HD1 LEU 42 2HD1 LEU 42 3.278 -1.772 -0.352 291 3HD1 LEU 42 3HD1 LEU 42 2.075 -2.499 -1.446 292 1HD2 LEU 42 1HD2 LEU 42 0.496 -4.456 -0.464 293 2HD2 LEU 42 2HD2 LEU 42 0.763 -4.981 1.217 294 3HD2 LEU 42 3HD2 LEU 42 0.095 -3.371 0.893 295 H GLY 43 H GLY 43 4.156 -6.274 2.338 296 1HA GLY 43 1HA GLY 43 3.467 -5.040 4.803 297 2HA GLY 43 2HA GLY 43 4.382 -6.550 4.734 298 H THR 44 H THR 44 6.775 -6.254 4.183 299 HA THR 44 HA THR 44 8.218 -5.111 6.248 300 HB THR 44 HB THR 44 9.075 -5.734 3.421 301 HG1 THR 44 HG1 THR 44 8.809 -7.072 5.513 302 1HG2 THR 44 1HG2 THR 44 11.468 -5.274 3.977 303 2HG2 THR 44 2HG2 THR 44 10.525 -3.770 3.909 304 3HG2 THR 44 3HG2 THR 44 10.977 -4.466 5.487 305 H VAL 45 H VAL 45 7.503 -3.506 3.146 306 HA VAL 45 HA VAL 45 9.057 -1.113 3.352 307 HB VAL 45 HB VAL 45 6.261 -1.110 2.121 308 1HG1 VAL 45 1HG1 VAL 45 8.822 -2.041 0.678 309 2HG1 VAL 45 2HG1 VAL 45 7.619 -3.156 1.338 310 3HG1 VAL 45 3HG1 VAL 45 7.155 -2.029 0.043 311 1HG2 VAL 45 1HG2 VAL 45 7.105 0.579 0.573 312 2HG2 VAL 45 2HG2 VAL 45 7.555 1.127 2.205 313 3HG2 VAL 45 3HG2 VAL 45 8.779 0.391 1.160 314 H MET 46 H MET 46 5.758 -1.750 4.563 315 HA MET 46 HA MET 46 5.212 0.894 5.671 316 1HB MET 46 1HB MET 46 4.001 -1.788 6.568 317 2HB MET 46 2HB MET 46 3.387 -0.199 6.990 318 1HG MET 46 1HG MET 46 3.671 -0.696 4.018 319 2HG MET 46 2HG MET 46 2.397 0.148 4.911 320 1HE MET 46 1HE MET 46 1.382 -2.058 7.221 321 2HE MET 46 2HE MET 46 0.500 -0.879 6.205 322 3HE MET 46 3HE MET 46 0.011 -2.599 6.202 323 NH1 ARG 47 NH1 ARG 47 3.823 -6.361 10.056 324 NH2 ARG 47 NH2 ARG 47 1.816 -5.668 10.862 325 H ARG 47 H ARG 47 6.659 -2.038 7.059 326 HA ARG 47 HA ARG 47 7.101 -0.654 9.754 327 1HB ARG 47 1HB ARG 47 7.023 -3.596 8.897 328 2HB ARG 47 2HB ARG 47 7.817 -3.116 10.389 329 1HG ARG 47 1HG ARG 47 5.812 -3.276 11.420 330 2HG ARG 47 2HG ARG 47 5.364 -1.766 10.624 331 1HD ARG 47 1HD ARG 47 4.076 -2.835 8.945 332 2HD ARG 47 2HD ARG 47 4.996 -4.336 9.021 333 HE ARG 47 HE ARG 47 3.160 -3.567 11.342 334 1HH1 ARG 47 1HH1 ARG 47 1.552 -6.659 10.835 335 2HH1 ARG 47 2HH1 ARG 47 1.224 -4.882 11.154 336 1HH2 ARG 47 1HH2 ARG 47 4.739 -6.100 9.674 337 2HH2 ARG 47 2HH2 ARG 47 3.442 -7.310 10.145 338 H MET 48 H MET 48 8.754 -0.588 7.032 339 HA MET 48 HA MET 48 11.494 -1.335 8.054 340 1HB MET 48 1HB MET 48 12.152 -1.339 5.881 341 2HB MET 48 2HB MET 48 10.449 -1.219 5.478 342 1HG MET 48 1HG MET 48 10.578 1.133 4.990 343 2HG MET 48 2HG MET 48 12.085 1.344 5.896 344 1HE MET 48 1HE MET 48 10.952 -1.518 3.371 345 2HE MET 48 2HE MET 48 12.451 -1.690 2.411 346 3HE MET 48 3HE MET 48 12.464 -2.071 4.157 347 H LEU 49 H LEU 49 9.360 1.341 8.027 348 HA LEU 49 HA LEU 49 11.468 3.128 9.351 349 1HB LEU 49 1HB LEU 49 9.913 5.021 8.155 350 2HB LEU 49 2HB LEU 49 11.414 4.405 7.483 351 HG LEU 49 HG LEU 49 9.178 2.699 6.597 352 1HD1 LEU 49 1HD1 LEU 49 7.934 4.368 5.215 353 2HD1 LEU 49 2HD1 LEU 49 7.752 4.728 6.941 354 3HD1 LEU 49 3HD1 LEU 49 8.859 5.704 5.945 355 1HD2 LEU 49 1HD2 LEU 49 11.110 4.540 5.034 356 2HD2 LEU 49 2HD2 LEU 49 11.368 2.817 5.401 357 3HD2 LEU 49 3HD2 LEU 49 10.053 3.297 4.318 358 H GLY 50 H GLY 50 9.509 1.321 10.460 359 1HA GLY 50 1HA GLY 50 7.607 3.258 11.904 360 2HA GLY 50 2HA GLY 50 6.974 1.761 11.216 361 H GLN 51 H GLN 51 8.410 -0.228 11.849 362 HA GLN 51 HA GLN 51 9.313 -0.282 14.733 363 1HB GLN 51 1HB GLN 51 6.869 -1.999 14.096 364 2HB GLN 51 2HB GLN 51 7.581 -1.611 15.652 365 1HG GLN 51 1HG GLN 51 5.587 -0.336 15.604 366 2HG GLN 51 2HG GLN 51 6.847 0.843 15.303 367 1HE2 GLN 51 1HE2 GLN 51 4.436 1.770 12.708 368 2HE2 GLN 51 2HE2 GLN 51 5.077 2.137 14.388 369 H ASN 52 H ASN 52 8.772 -3.071 15.032 370 HA ASN 52 HA ASN 52 10.298 -4.406 12.769 371 1HB ASN 52 1HB ASN 52 11.853 -3.500 14.604 372 2HB ASN 52 2HB ASN 52 11.187 -4.693 15.697 373 1HD2 ASN 52 1HD2 ASN 52 14.019 -6.615 14.472 374 2HD2 ASN 52 2HD2 ASN 52 13.210 -5.754 15.876 375 HA PRO 53 HA PRO 53 6.908 -7.214 14.755 376 1HB PRO 53 1HB PRO 53 5.260 -7.655 12.596 377 2HB PRO 53 2HB PRO 53 5.185 -6.204 13.608 378 1HG PRO 53 1HG PRO 53 6.564 -6.512 10.896 379 2HG PRO 53 2HG PRO 53 5.481 -5.205 11.431 380 1HD PRO 53 1HD PRO 53 7.238 -4.120 12.630 381 2HD PRO 53 2HD PRO 53 8.280 -5.045 11.505 382 H THR 54 H THR 54 5.975 -9.319 13.171 383 HA THR 54 HA THR 54 8.526 -10.879 12.517 384 HB THR 54 HB THR 54 5.881 -12.236 13.159 385 HG1 THR 54 HG1 THR 54 6.230 -11.043 14.912 386 1HG2 THR 54 1HG2 THR 54 7.307 -14.120 13.892 387 2HG2 THR 54 2HG2 THR 54 7.699 -13.690 12.212 388 3HG2 THR 54 3HG2 THR 54 8.786 -13.198 13.535 389 H LYS 55 H LYS 55 8.019 -12.706 10.908 390 HA LYS 55 HA LYS 55 6.962 -11.480 8.376 391 1HB LYS 55 1HB LYS 55 9.125 -12.883 8.557 392 2HB LYS 55 2HB LYS 55 8.073 -13.189 7.191 393 1HG LYS 55 1HG LYS 55 7.282 -15.286 8.134 394 2HG LYS 55 2HG LYS 55 7.922 -14.918 9.723 395 1HD LYS 55 1HD LYS 55 10.118 -14.921 7.731 396 2HD LYS 55 2HD LYS 55 9.957 -15.798 9.244 397 1HE LYS 55 1HE LYS 55 9.245 -17.745 8.249 398 2HE LYS 55 2HE LYS 55 8.197 -16.924 7.090 399 1HZ LYS 55 1HZ LYS 55 10.972 -17.730 6.814 400 2HZ LYS 55 2HZ LYS 55 9.803 -17.562 5.659 401 3HZ LYS 55 3HZ LYS 55 10.643 -16.239 6.183 402 H GLU 56 H GLU 56 6.125 -14.015 10.680 403 HA GLU 56 HA GLU 56 3.930 -15.325 9.309 404 1HB GLU 56 1HB GLU 56 3.305 -16.301 11.342 405 2HB GLU 56 2HB GLU 56 5.039 -16.084 11.469 406 1HG GLU 56 1HG GLU 56 3.675 -13.734 12.627 407 2HG GLU 56 2HG GLU 56 4.842 -14.821 13.362 408 H GLU 57 H GLU 57 4.143 -12.291 11.078 409 HA GLU 57 HA GLU 57 1.254 -11.754 11.359 410 1HB GLU 57 1HB GLU 57 3.391 -9.574 11.337 411 2HB GLU 57 2HB GLU 57 1.815 -9.540 12.100 412 1HG GLU 57 1HG GLU 57 3.841 -11.640 13.027 413 2HG GLU 57 2HG GLU 57 4.068 -9.968 13.512 414 H LEU 58 H LEU 58 3.722 -10.989 8.945 415 HA LEU 58 HA LEU 58 2.261 -9.172 7.216 416 1HB LEU 58 1HB LEU 58 4.645 -10.973 6.898 417 2HB LEU 58 2HB LEU 58 3.796 -10.632 5.405 418 HG LEU 58 HG LEU 58 4.128 -8.197 5.669 419 1HD1 LEU 58 1HD1 LEU 58 6.814 -9.597 6.250 420 2HD1 LEU 58 2HD1 LEU 58 6.012 -9.640 4.674 421 3HD1 LEU 58 3HD1 LEU 58 6.557 -8.083 5.345 422 1HD2 LEU 58 1HD2 LEU 58 5.333 -7.171 7.567 423 2HD2 LEU 58 2HD2 LEU 58 3.964 -8.106 8.218 424 3HD2 LEU 58 3HD2 LEU 58 5.609 -8.762 8.318 425 H ASP 59 H ASP 59 2.246 -12.679 7.537 426 HA ASP 59 HA ASP 59 0.672 -13.393 5.187 427 1HB ASP 59 1HB ASP 59 0.898 -14.905 7.852 428 2HB ASP 59 2HB ASP 59 0.095 -15.528 6.430 429 H ALA 60 H ALA 60 -0.218 -12.415 8.474 430 HA ALA 60 HA ALA 60 -3.121 -12.725 8.341 431 1HB ALA 60 1HB ALA 60 -3.197 -11.093 10.220 432 2HB ALA 60 2HB ALA 60 -1.942 -12.320 10.479 433 3HB ALA 60 3HB ALA 60 -1.486 -10.674 9.968 434 H ILE 61 H ILE 61 -1.010 -9.918 7.647 435 HA ILE 61 HA ILE 61 -2.875 -7.959 6.831 436 HB ILE 61 HB ILE 61 0.004 -8.426 6.137 437 1HG1 ILE 61 1HG1 ILE 61 -1.418 -5.828 7.013 438 2HG1 ILE 61 2HG1 ILE 61 -0.876 -7.037 8.157 439 1HG2 ILE 61 1HG2 ILE 61 0.094 -6.559 4.465 440 2HG2 ILE 61 2HG2 ILE 61 -0.899 -7.884 3.864 441 3HG2 ILE 61 3HG2 ILE 61 -1.681 -6.418 4.499 442 1HD1 ILE 61 1HD1 ILE 61 0.999 -5.462 6.297 443 2HD1 ILE 61 2HD1 ILE 61 0.807 -5.286 8.055 444 3HD1 ILE 61 3HD1 ILE 61 1.514 -6.777 7.390 445 H ILE 62 H ILE 62 -1.666 -10.808 5.153 446 HA ILE 62 HA ILE 62 -2.732 -10.139 2.443 447 HB ILE 62 HB ILE 62 -1.301 -12.510 3.641 448 1HG1 ILE 62 1HG1 ILE 62 -0.781 -11.343 0.860 449 2HG1 ILE 62 2HG1 ILE 62 -0.306 -10.402 2.258 450 1HG2 ILE 62 1HG2 ILE 62 -1.718 -13.943 1.626 451 2HG2 ILE 62 2HG2 ILE 62 -3.229 -13.624 2.475 452 3HG2 ILE 62 3HG2 ILE 62 -2.858 -12.737 0.980 453 1HD1 ILE 62 1HD1 ILE 62 0.756 -13.220 1.635 454 2HD1 ILE 62 2HD1 ILE 62 1.626 -11.677 1.517 455 3HD1 ILE 62 3HD1 ILE 62 1.135 -12.292 3.112 456 H GLU 63 H GLU 63 -3.725 -12.065 5.242 457 HA GLU 63 HA GLU 63 -6.162 -13.292 4.333 458 1HB GLU 63 1HB GLU 63 -5.870 -11.994 7.089 459 2HB GLU 63 2HB GLU 63 -6.973 -13.274 6.627 460 1HG GLU 63 1HG GLU 63 -3.976 -13.786 6.313 461 2HG GLU 63 2HG GLU 63 -4.656 -13.766 7.932 462 H GLU 64 H GLU 64 -5.404 -9.932 4.977 463 HA GLU 64 HA GLU 64 -8.219 -8.956 5.068 464 1HB GLU 64 1HB GLU 64 -6.110 -7.956 6.254 465 2HB GLU 64 2HB GLU 64 -5.774 -7.164 4.727 466 1HG GLU 64 1HG GLU 64 -7.820 -5.832 4.837 467 2HG GLU 64 2HG GLU 64 -8.502 -6.830 6.111 468 H VAL 65 H VAL 65 -5.582 -7.817 2.954 469 HA VAL 65 HA VAL 65 -7.217 -6.552 0.963 470 HB VAL 65 HB VAL 65 -4.661 -6.357 1.287 471 1HG1 VAL 65 1HG1 VAL 65 -5.642 -6.407 -1.640 472 2HG1 VAL 65 2HG1 VAL 65 -6.070 -5.135 -0.481 473 3HG1 VAL 65 3HG1 VAL 65 -4.367 -5.379 -0.939 474 1HG2 VAL 65 1HG2 VAL 65 -3.147 -7.665 -0.122 475 2HG2 VAL 65 2HG2 VAL 65 -4.122 -8.839 0.795 476 3HG2 VAL 65 3HG2 VAL 65 -4.494 -8.526 -0.905 477 H ASP 66 H ASP 66 -5.854 -9.858 0.994 478 HA ASP 66 HA ASP 66 -7.461 -10.657 -1.440 479 1HB ASP 66 1HB ASP 66 -4.971 -11.324 -1.042 480 2HB ASP 66 2HB ASP 66 -5.567 -12.486 0.121 481 H GLU 67 H GLU 67 -9.243 -10.022 0.285 482 HA GLU 67 HA GLU 67 -10.225 -12.229 2.042 483 1HB GLU 67 1HB GLU 67 -10.795 -9.866 2.521 484 2HB GLU 67 2HB GLU 67 -11.685 -9.739 1.017 485 1HG GLU 67 1HG GLU 67 -13.445 -11.247 1.802 486 2HG GLU 67 2HG GLU 67 -12.479 -11.798 3.161 487 H ASP 68 H ASP 68 -10.683 -11.114 -1.267 488 HA ASP 68 HA ASP 68 -11.641 -13.815 -2.159 489 1HB ASP 68 1HB ASP 68 -13.807 -13.028 -1.459 490 2HB ASP 68 2HB ASP 68 -13.760 -13.039 -3.207 491 H GLY 69 H GLY 69 -9.944 -13.906 -3.516 492 1HA GLY 69 1HA GLY 69 -8.886 -13.719 -5.699 493 2HA GLY 69 2HA GLY 69 -10.234 -12.684 -6.181 494 H SER 70 H SER 70 -7.975 -11.942 -7.185 495 HA SER 70 HA SER 70 -6.734 -9.913 -7.590 496 1HB SER 70 1HB SER 70 -7.296 -7.907 -6.423 497 2HB SER 70 2HB SER 70 -7.855 -8.768 -4.987 498 HG SER 70 HG SER 70 -9.639 -9.389 -6.013 499 H GLY 71 H GLY 71 -4.623 -9.793 -7.322 500 1HA GLY 71 1HA GLY 71 -3.326 -10.247 -4.571 501 2HA GLY 71 2HA GLY 71 -2.733 -11.133 -5.979 502 H THR 72 H THR 72 -3.904 -7.814 -6.072 503 HA THR 72 HA THR 72 -1.082 -6.742 -6.438 504 HB THR 72 HB THR 72 -2.164 -5.187 -8.295 505 HG1 THR 72 HG1 THR 72 -3.516 -6.733 -9.552 506 1HG2 THR 72 1HG2 THR 72 -0.263 -7.033 -8.601 507 2HG2 THR 72 2HG2 THR 72 -1.564 -7.988 -9.346 508 3HG2 THR 72 3HG2 THR 72 -1.117 -6.402 -10.027 509 H ILE 73 H ILE 73 -0.814 -4.575 -5.890 510 HA ILE 73 HA ILE 73 -3.118 -3.078 -4.666 511 HB ILE 73 HB ILE 73 -1.987 -4.585 -2.891 512 1HG1 ILE 73 1HG1 ILE 73 -2.967 -1.752 -2.655 513 2HG1 ILE 73 2HG1 ILE 73 -2.118 -2.370 -1.250 514 1HG2 ILE 73 1HG2 ILE 73 -0.061 -3.707 -1.623 515 2HG2 ILE 73 2HG2 ILE 73 0.428 -3.960 -3.304 516 3HG2 ILE 73 3HG2 ILE 73 0.096 -2.313 -2.716 517 1HD1 ILE 73 1HD1 ILE 73 -3.725 -4.116 -0.834 518 2HD1 ILE 73 2HD1 ILE 73 -4.690 -2.695 -1.288 519 3HD1 ILE 73 3HD1 ILE 73 -4.419 -3.994 -2.474 520 H ASP 74 H ASP 74 -2.919 -0.906 -4.782 521 HA ASP 74 HA ASP 74 -0.579 0.160 -6.429 522 1HB ASP 74 1HB ASP 74 -2.208 2.113 -6.934 523 2HB ASP 74 2HB ASP 74 -2.466 0.572 -7.720 524 H PHE 75 H PHE 75 -0.683 2.786 -6.025 525 HA PHE 75 HA PHE 75 0.729 3.121 -3.466 526 1HB PHE 75 1HB PHE 75 1.310 4.349 -5.586 527 2HB PHE 75 2HB PHE 75 -0.168 5.269 -5.483 528 HD1 PHE 75 HD1 PHE 75 1.031 4.759 -2.123 529 HD2 PHE 75 HD2 PHE 75 1.849 7.077 -5.656 530 HE1 PHE 75 HE1 PHE 75 2.004 6.548 -0.739 531 HE2 PHE 75 HE2 PHE 75 2.944 8.789 -4.264 532 HZ PHE 75 HZ PHE 75 2.964 8.561 -1.805 533 H GLU 76 H GLU 76 -2.506 3.841 -4.653 534 HA GLU 76 HA GLU 76 -3.414 5.675 -2.569 535 1HB GLU 76 1HB GLU 76 -4.970 3.870 -4.480 536 2HB GLU 76 2HB GLU 76 -5.780 4.871 -3.291 537 1HG GLU 76 1HG GLU 76 -4.473 6.905 -4.364 538 2HG GLU 76 2HG GLU 76 -4.074 5.804 -5.672 539 H GLU 77 H GLU 77 -4.142 2.204 -3.027 540 HA GLU 77 HA GLU 77 -5.400 1.692 -0.447 541 1HB GLU 77 1HB GLU 77 -4.050 -0.178 -2.439 542 2HB GLU 77 2HB GLU 77 -4.615 -0.778 -0.892 543 1HG GLU 77 1HG GLU 77 -6.563 0.797 -2.656 544 2HG GLU 77 2HG GLU 77 -6.164 -0.856 -3.092 545 H PHE 78 H PHE 78 -2.044 1.814 -1.486 546 HA PHE 78 HA PHE 78 -0.730 0.517 0.752 547 1HB PHE 78 1HB PHE 78 0.664 0.849 -1.105 548 2HB PHE 78 2HB PHE 78 0.180 2.506 -1.354 549 HD1 PHE 78 HD1 PHE 78 1.319 1.035 1.948 550 HD2 PHE 78 HD2 PHE 78 2.337 3.593 -1.358 551 HE1 PHE 78 HE1 PHE 78 3.391 1.710 3.094 552 HE2 PHE 78 HE2 PHE 78 4.408 4.249 -0.201 553 HZ PHE 78 HZ PHE 78 4.932 3.322 2.028 554 H LEU 79 H LEU 79 -1.822 3.850 0.236 555 HA LEU 79 HA LEU 79 -0.755 4.982 2.762 556 1HB LEU 79 1HB LEU 79 -2.403 6.901 2.243 557 2HB LEU 79 2HB LEU 79 -2.901 6.013 0.819 558 HG LEU 79 HG LEU 79 -0.749 6.269 -0.262 559 1HD1 LEU 79 1HD1 LEU 79 0.420 7.466 2.330 560 2HD1 LEU 79 2HD1 LEU 79 0.691 5.798 1.791 561 3HD1 LEU 79 3HD1 LEU 79 1.291 7.156 0.807 562 1HD2 LEU 79 1HD2 LEU 79 -0.512 8.707 -0.454 563 2HD2 LEU 79 2HD2 LEU 79 -2.239 8.368 -0.187 564 3HD2 LEU 79 3HD2 LEU 79 -1.246 8.968 1.148 565 H VAL 80 H VAL 80 -3.748 3.437 1.736 566 HA VAL 80 HA VAL 80 -5.421 3.969 4.077 567 HB VAL 80 HB VAL 80 -5.508 1.676 2.060 568 1HG1 VAL 80 1HG1 VAL 80 -7.752 1.053 2.975 569 2HG1 VAL 80 2HG1 VAL 80 -6.489 0.795 4.185 570 3HG1 VAL 80 3HG1 VAL 80 -7.552 2.215 4.312 571 1HG2 VAL 80 1HG2 VAL 80 -7.416 4.077 2.437 572 2HG2 VAL 80 2HG2 VAL 80 -6.205 3.922 1.143 573 3HG2 VAL 80 3HG2 VAL 80 -7.564 2.791 1.213 574 H MET 81 H MET 81 -2.901 1.618 3.338 575 HA MET 81 HA MET 81 -3.309 -0.167 5.661 576 1HB MET 81 1HB MET 81 -1.220 -1.259 5.032 577 2HB MET 81 2HB MET 81 -0.712 0.107 4.056 578 1HG MET 81 1HG MET 81 -2.010 -0.513 2.224 579 2HG MET 81 2HG MET 81 -3.340 -1.126 3.219 580 1HE MET 81 1HE MET 81 -3.728 -2.951 1.714 581 2HE MET 81 2HE MET 81 -2.319 -3.194 0.640 582 3HE MET 81 3HE MET 81 -2.850 -4.513 1.725 583 H MET 82 H MET 82 -1.401 2.716 5.002 584 HA MET 82 HA MET 82 0.338 2.696 7.369 585 1HB MET 82 1HB MET 82 -0.292 4.607 5.186 586 2HB MET 82 2HB MET 82 -0.082 5.437 6.714 587 1HG MET 82 1HG MET 82 2.208 4.727 6.969 588 2HG MET 82 2HG MET 82 2.026 5.222 5.279 589 1HE MET 82 1HE MET 82 4.684 2.874 5.831 590 2HE MET 82 2HE MET 82 3.782 3.349 7.300 591 3HE MET 82 3HE MET 82 3.883 1.626 6.837 592 H VAL 83 H VAL 83 -2.578 4.647 6.661 593 HA VAL 83 HA VAL 83 -2.983 5.761 9.293 594 HB VAL 83 HB VAL 83 -5.157 5.211 7.206 595 1HG1 VAL 83 1HG1 VAL 83 -6.446 7.042 8.320 596 2HG1 VAL 83 2HG1 VAL 83 -6.179 5.698 9.439 597 3HG1 VAL 83 3HG1 VAL 83 -5.201 7.177 9.589 598 1HG2 VAL 83 1HG2 VAL 83 -3.487 7.778 7.637 599 2HG2 VAL 83 2HG2 VAL 83 -3.363 6.680 6.243 600 3HG2 VAL 83 3HG2 VAL 83 -4.854 7.597 6.507 601 NH1 ARG 84 NH1 ARG 84 -7.874 -2.328 4.668 602 NH2 ARG 84 NH2 ARG 84 -9.916 -1.667 5.413 603 H ARG 84 H ARG 84 -3.895 2.654 7.912 604 HA ARG 84 HA ARG 84 -5.727 1.721 10.044 605 1HB ARG 84 1HB ARG 84 -4.786 -0.635 8.963 606 2HB ARG 84 2HB ARG 84 -4.347 0.477 7.674 607 1HG ARG 84 1HG ARG 84 -7.187 0.167 8.822 608 2HG ARG 84 2HG ARG 84 -6.736 1.326 7.570 609 1HD ARG 84 1HD ARG 84 -5.909 -0.661 6.128 610 2HD ARG 84 2HD ARG 84 -6.591 -1.751 7.333 611 HE ARG 84 HE ARG 84 -8.623 0.211 6.417 612 1HH1 ARG 84 1HH1 ARG 84 -8.389 -3.015 4.105 613 2HH1 ARG 84 2HH1 ARG 84 -6.859 -2.179 4.678 614 1HH2 ARG 84 1HH2 ARG 84 -10.458 -1.003 5.977 615 2HH2 ARG 84 2HH2 ARG 84 -10.288 -2.411 4.813 616 H GLN 85 H GLN 85 -2.231 1.513 9.495 617 HA GLN 85 HA GLN 85 -1.672 -0.517 11.603 618 1HB GLN 85 1HB GLN 85 0.497 1.345 10.553 619 2HB GLN 85 2HB GLN 85 -0.265 0.223 9.438 620 1HG GLN 85 1HG GLN 85 0.922 -0.766 12.089 621 2HG GLN 85 2HG GLN 85 1.935 -0.513 10.683 622 1HE2 GLN 85 1HE2 GLN 85 -0.533 -3.817 10.860 623 2HE2 GLN 85 2HE2 GLN 85 -0.731 -2.415 12.027 624 H MET 86 H MET 86 -0.519 2.851 11.327 625 HA MET 86 HA MET 86 0.487 3.296 13.927 626 1HB MET 86 1HB MET 86 -0.108 4.972 11.686 627 2HB MET 86 2HB MET 86 -0.915 5.729 13.047 628 1HG MET 86 1HG MET 86 1.523 6.479 12.572 629 2HG MET 86 2HG MET 86 2.048 4.906 13.193 630 1HE MET 86 1HE MET 86 3.493 6.016 14.624 631 2HE MET 86 2HE MET 86 3.108 7.161 15.943 632 3HE MET 86 3HE MET 86 2.968 5.401 16.223 633 H LYS 87 H LYS 87 -2.866 3.340 12.863 634 HA LYS 87 HA LYS 87 -4.077 4.425 15.349 635 1HB LYS 87 1HB LYS 87 -5.392 4.634 13.341 636 2HB LYS 87 2HB LYS 87 -5.252 2.935 12.941 637 1HG LYS 87 1HG LYS 87 -7.507 3.380 13.722 638 2HG LYS 87 2HG LYS 87 -6.719 2.331 14.884 639 1HD LYS 87 1HD LYS 87 -8.118 4.123 15.981 640 2HD LYS 87 2HD LYS 87 -6.439 4.131 16.493 641 1HE LYS 87 1HE LYS 87 -7.293 6.453 16.120 642 2HE LYS 87 2HE LYS 87 -5.902 6.099 15.092 643 1HZ LYS 87 1HZ LYS 87 -8.590 5.609 13.987 644 2HZ LYS 87 2HZ LYS 87 -8.080 7.174 14.131 645 3HZ LYS 87 3HZ LYS 87 -7.215 6.104 13.217 646 H GLU 88 H GLU 88 -3.867 1.141 13.926 647 HA GLU 88 HA GLU 88 -3.894 -1.054 14.896 648 1HB GLU 88 1HB GLU 88 -1.863 -0.293 16.006 649 2HB GLU 88 2HB GLU 88 -2.770 0.523 17.265 650 1HG GLU 88 1HG GLU 88 -3.733 -2.063 17.604 651 2HG GLU 88 2HG GLU 88 -2.145 -2.418 16.943 652 H ASP 89 H ASP 89 -4.567 0.406 18.007 653 HA ASP 89 HA ASP 89 -7.546 0.012 17.840 654 1HB ASP 89 1HB ASP 89 -5.802 -1.975 19.304 655 2HB ASP 89 2HB ASP 89 -7.270 -2.223 18.386 656 H ALA 90 H ALA 90 -5.160 0.015 20.497 657 HA ALA 90 HA ALA 90 -6.514 2.452 21.740 658 1HB ALA 90 1HB ALA 90 -5.632 1.768 23.858 659 2HB ALA 90 2HB ALA 90 -6.049 0.227 23.083 660 3HB ALA 90 3HB ALA 90 -4.351 0.761 23.139 Start of MODEL 37 Raw file had 660 H/Q atoms Start of MODEL 37 1 1H ALA 1 1H ALA 1 -19.922 -3.846 -1.826 2 2H ALA 1 2H ALA 1 -19.422 -3.875 -3.431 3 3H ALA 1 3H ALA 1 -18.308 -4.135 -2.199 4 HA ALA 1 HA ALA 1 -17.914 -1.986 -2.928 5 1HB ALA 1 1HB ALA 1 -20.425 -2.028 -3.971 6 2HB ALA 1 2HB ALA 1 -20.783 -1.057 -2.530 7 3HB ALA 1 3HB ALA 1 -19.561 -0.496 -3.700 8 H SER 2 H SER 2 -16.892 -2.337 -0.890 9 HA SER 2 HA SER 2 -18.205 -0.890 1.473 10 1HB SER 2 1HB SER 2 -16.775 -2.718 2.857 11 2HB SER 2 2HB SER 2 -18.453 -2.974 2.370 12 HG SER 2 HG SER 2 -17.812 -4.528 1.187 13 H MET 3 H MET 3 -16.836 0.311 2.721 14 HA MET 3 HA MET 3 -14.994 1.804 3.166 15 1HB MET 3 1HB MET 3 -14.062 -0.199 4.194 16 2HB MET 3 2HB MET 3 -13.522 -0.834 2.648 17 1HG MET 3 1HG MET 3 -12.294 1.810 3.050 18 2HG MET 3 2HG MET 3 -12.038 0.807 4.487 19 1HE MET 3 1HE MET 3 -10.169 -2.070 3.805 20 2HE MET 3 2HE MET 3 -11.890 -1.746 4.166 21 3HE MET 3 3HE MET 3 -11.439 -2.565 2.642 22 H THR 4 H THR 4 -16.137 1.841 0.581 23 HA THR 4 HA THR 4 -13.913 2.293 -1.401 24 HB THR 4 HB THR 4 -16.664 3.289 -2.057 25 HG1 THR 4 HG1 THR 4 -16.193 0.546 -2.222 26 1HG2 THR 4 1HG2 THR 4 -16.272 2.199 -4.234 27 2HG2 THR 4 2HG2 THR 4 -14.890 3.250 -3.856 28 3HG2 THR 4 3HG2 THR 4 -14.746 1.483 -3.674 29 H ASP 5 H ASP 5 -14.483 3.882 1.250 30 HA ASP 5 HA ASP 5 -14.230 6.684 0.029 31 1HB ASP 5 1HB ASP 5 -15.490 6.022 2.751 32 2HB ASP 5 2HB ASP 5 -15.248 7.624 2.093 33 H GLN 6 H GLN 6 -13.263 4.460 2.605 34 HA GLN 6 HA GLN 6 -11.482 6.013 4.199 35 1HB GLN 6 1HB GLN 6 -10.941 3.093 3.397 36 2HB GLN 6 2HB GLN 6 -10.282 3.943 4.783 37 1HG GLN 6 1HG GLN 6 -12.899 4.298 5.405 38 2HG GLN 6 2HG GLN 6 -13.114 2.901 4.371 39 1HE2 GLN 6 1HE2 GLN 6 -12.505 0.955 7.333 40 2HE2 GLN 6 2HE2 GLN 6 -13.678 1.478 6.022 41 H GLN 7 H GLN 7 -11.002 4.695 0.974 42 HA GLN 7 HA GLN 7 -8.217 4.851 0.465 43 1HB GLN 7 1HB GLN 7 -9.044 5.907 -1.892 44 2HB GLN 7 2HB GLN 7 -9.191 4.210 -1.473 45 1HG GLN 7 1HG GLN 7 -11.510 4.274 -1.254 46 2HG GLN 7 2HG GLN 7 -11.549 5.930 -0.683 47 1HE2 GLN 7 1HE2 GLN 7 -11.979 7.304 -3.992 48 2HE2 GLN 7 2HE2 GLN 7 -11.515 7.650 -2.251 49 H ALA 8 H ALA 8 -10.480 7.579 -0.108 50 HA ALA 8 HA ALA 8 -8.359 9.589 -0.513 51 1HB ALA 8 1HB ALA 8 -10.870 9.555 -1.345 52 2HB ALA 8 2HB ALA 8 -11.222 10.368 0.192 53 3HB ALA 8 3HB ALA 8 -10.101 11.115 -0.974 54 H GLU 9 H GLU 9 -10.294 8.516 2.227 55 HA GLU 9 HA GLU 9 -10.065 10.741 4.061 56 1HB GLU 9 1HB GLU 9 -11.430 8.475 4.247 57 2HB GLU 9 2HB GLU 9 -10.023 7.887 5.111 58 1HG GLU 9 1HG GLU 9 -11.231 10.536 6.029 59 2HG GLU 9 2HG GLU 9 -10.365 9.330 6.966 60 H ALA 10 H ALA 10 -7.832 8.142 3.238 61 HA ALA 10 HA ALA 10 -5.936 8.417 5.468 62 1HB ALA 10 1HB ALA 10 -4.408 7.023 4.082 63 2HB ALA 10 2HB ALA 10 -6.050 6.352 4.104 64 3HB ALA 10 3HB ALA 10 -5.464 7.220 2.663 65 NH1 ARG 11 NH1 ARG 11 -3.566 14.529 -3.805 66 NH2 ARG 11 NH2 ARG 11 -4.510 16.379 -2.884 67 H ARG 11 H ARG 11 -6.054 9.749 2.171 68 HA ARG 11 HA ARG 11 -3.399 11.002 2.059 69 1HB ARG 11 1HB ARG 11 -4.433 10.739 -0.053 70 2HB ARG 11 2HB ARG 11 -5.980 11.366 0.498 71 1HG ARG 11 1HG ARG 11 -5.275 13.654 0.426 72 2HG ARG 11 2HG ARG 11 -3.560 13.239 0.405 73 1HD ARG 11 1HD ARG 11 -5.174 12.141 -1.910 74 2HD ARG 11 2HD ARG 11 -3.527 12.766 -1.894 75 HE ARG 11 HE ARG 11 -5.954 14.630 -1.754 76 1HH1 ARG 11 1HH1 ARG 11 -4.037 16.896 -3.633 77 2HH1 ARG 11 2HH1 ARG 11 -5.084 16.773 -2.131 78 1HH2 ARG 11 1HH2 ARG 11 -3.384 13.522 -3.730 79 2HH2 ARG 11 2HH2 ARG 11 -3.198 15.169 -4.518 80 H ALA 12 H ALA 12 -6.556 12.041 3.247 81 HA ALA 12 HA ALA 12 -6.084 14.921 3.497 82 1HB ALA 12 1HB ALA 12 -8.047 14.948 5.022 83 2HB ALA 12 2HB ALA 12 -8.368 13.967 3.578 84 3HB ALA 12 3HB ALA 12 -8.025 13.171 5.134 85 H PHE 13 H PHE 13 -5.872 12.278 5.908 86 HA PHE 13 HA PHE 13 -5.064 13.681 8.242 87 1HB PHE 13 1HB PHE 13 -5.579 11.216 8.125 88 2HB PHE 13 2HB PHE 13 -4.037 10.912 7.370 89 HD1 PHE 13 HD1 PHE 13 -2.166 10.380 8.778 90 HD2 PHE 13 HD2 PHE 13 -5.501 12.483 10.507 91 HE1 PHE 13 HE1 PHE 13 -1.163 10.156 11.015 92 HE2 PHE 13 HE2 PHE 13 -4.495 12.224 12.737 93 HZ PHE 13 HZ PHE 13 -2.328 11.064 12.997 94 H LEU 14 H LEU 14 -3.074 12.533 5.535 95 HA LEU 14 HA LEU 14 -0.487 13.540 6.675 96 1HB LEU 14 1HB LEU 14 0.605 12.482 4.888 97 2HB LEU 14 2HB LEU 14 -0.721 12.710 3.768 98 HG LEU 14 HG LEU 14 -2.046 10.907 4.940 99 1HD1 LEU 14 1HD1 LEU 14 0.490 10.389 6.617 100 2HD1 LEU 14 2HD1 LEU 14 -0.971 11.179 7.238 101 3HD1 LEU 14 3HD1 LEU 14 -1.045 9.486 6.691 102 1HD2 LEU 14 1HD2 LEU 14 -0.785 8.989 4.056 103 2HD2 LEU 14 2HD2 LEU 14 -0.481 10.369 2.971 104 3HD2 LEU 14 3HD2 LEU 14 0.754 9.884 4.143 105 H SER 15 H SER 15 0.872 15.016 5.402 106 HA SER 15 HA SER 15 -0.624 17.504 4.608 107 1HB SER 15 1HB SER 15 2.376 17.475 4.445 108 2HB SER 15 2HB SER 15 1.277 18.679 5.123 109 HG SER 15 HG SER 15 1.963 17.829 6.894 110 H GLU 16 H GLU 16 0.946 18.686 2.779 111 HA GLU 16 HA GLU 16 0.246 17.241 0.231 112 1HB GLU 16 1HB GLU 16 1.532 20.004 0.392 113 2HB GLU 16 2HB GLU 16 -0.166 19.768 0.754 114 1HG GLU 16 1HG GLU 16 0.054 20.499 -1.574 115 2HG GLU 16 2HG GLU 16 -0.553 18.851 -1.567 116 H GLU 17 H GLU 17 3.087 18.460 1.945 117 HA GLU 17 HA GLU 17 5.045 17.731 -0.206 118 1HB GLU 17 1HB GLU 17 6.818 18.475 1.319 119 2HB GLU 17 2HB GLU 17 5.566 19.683 1.112 120 1HG GLU 17 1HG GLU 17 5.658 17.825 3.571 121 2HG GLU 17 2HG GLU 17 4.652 19.249 3.365 122 H MET 18 H MET 18 3.853 16.397 2.829 123 HA MET 18 HA MET 18 5.835 14.308 3.304 124 1HB MET 18 1HB MET 18 2.991 14.763 4.257 125 2HB MET 18 2HB MET 18 4.489 14.705 5.168 126 1HG MET 18 1HG MET 18 4.303 12.057 4.199 127 2HG MET 18 2HG MET 18 2.611 12.492 4.488 128 1HE MET 18 1HE MET 18 6.050 12.006 7.498 129 2HE MET 18 2HE MET 18 6.157 12.237 5.728 130 3HE MET 18 3HE MET 18 6.037 13.658 6.805 131 H ILE 19 H ILE 19 3.000 14.507 1.234 132 HA ILE 19 HA ILE 19 2.737 11.689 0.462 133 HB ILE 19 HB ILE 19 1.943 14.189 -1.116 134 1HG1 ILE 19 1HG1 ILE 19 0.774 13.719 1.192 135 2HG1 ILE 19 2HG1 ILE 19 -0.233 14.047 -0.201 136 1HG2 ILE 19 1HG2 ILE 19 0.509 12.691 -2.520 137 2HG2 ILE 19 2HG2 ILE 19 2.204 12.230 -2.672 138 3HG2 ILE 19 3HG2 ILE 19 1.117 11.259 -1.654 139 1HD1 ILE 19 1HD1 ILE 19 0.246 11.240 0.957 140 2HD1 ILE 19 2HD1 ILE 19 -1.237 12.212 1.038 141 3HD1 ILE 19 3HD1 ILE 19 -0.679 11.583 -0.530 142 H ALA 20 H ALA 20 4.597 14.427 -0.850 143 HA ALA 20 HA ALA 20 5.650 13.301 -3.270 144 1HB ALA 20 1HB ALA 20 7.500 15.062 -1.652 145 2HB ALA 20 2HB ALA 20 7.044 15.153 -3.364 146 3HB ALA 20 3HB ALA 20 5.918 15.737 -2.111 147 H GLU 21 H GLU 21 7.147 13.310 -0.014 148 HA GLU 21 HA GLU 21 9.516 11.711 -0.789 149 1HB GLU 21 1HB GLU 21 8.428 12.620 1.911 150 2HB GLU 21 2HB GLU 21 9.777 11.506 1.813 151 1HG GLU 21 1HG GLU 21 10.195 13.894 0.069 152 2HG GLU 21 2HG GLU 21 9.891 14.344 1.738 153 H PHE 22 H PHE 22 6.334 11.031 0.535 154 HA PHE 22 HA PHE 22 6.519 8.322 1.446 155 1HB PHE 22 1HB PHE 22 4.435 9.958 1.283 156 2HB PHE 22 2HB PHE 22 4.145 9.218 -0.269 157 HD1 PHE 22 HD1 PHE 22 1.902 8.605 0.992 158 HD2 PHE 22 HD2 PHE 22 5.692 6.896 2.104 159 HE1 PHE 22 HE1 PHE 22 0.755 6.632 1.907 160 HE2 PHE 22 HE2 PHE 22 4.524 4.943 3.041 161 HZ PHE 22 HZ PHE 22 2.058 4.808 2.950 162 H LYS 23 H LYS 23 5.303 9.167 -1.802 163 HA LYS 23 HA LYS 23 5.452 6.615 -3.048 164 1HB LYS 23 1HB LYS 23 4.307 8.162 -4.356 165 2HB LYS 23 2HB LYS 23 5.773 7.936 -5.285 166 1HG LYS 23 1HG LYS 23 5.403 10.283 -3.334 167 2HG LYS 23 2HG LYS 23 6.683 10.097 -4.517 168 1HD LYS 23 1HD LYS 23 5.174 11.696 -5.490 169 2HD LYS 23 2HD LYS 23 3.755 10.811 -4.955 170 1HE LYS 23 1HE LYS 23 5.641 9.799 -7.171 171 2HE LYS 23 2HE LYS 23 4.150 9.008 -6.656 172 1HZ LYS 23 1HZ LYS 23 3.380 10.236 -8.397 173 2HZ LYS 23 2HZ LYS 23 3.183 11.404 -7.245 174 3HZ LYS 23 3HZ LYS 23 4.498 11.443 -8.245 175 H ALA 24 H ALA 24 8.023 8.935 -2.442 176 HA ALA 24 HA ALA 24 10.171 8.205 -4.112 177 1HB ALA 24 1HB ALA 24 11.723 8.862 -2.284 178 2HB ALA 24 2HB ALA 24 10.359 9.989 -2.402 179 3HB ALA 24 3HB ALA 24 10.404 8.783 -1.091 180 H ALA 25 H ALA 25 9.503 6.684 -0.936 181 HA ALA 25 HA ALA 25 11.525 4.562 -1.182 182 1HB ALA 25 1HB ALA 25 10.507 3.625 0.886 183 2HB ALA 25 2HB ALA 25 10.755 5.375 1.028 184 3HB ALA 25 3HB ALA 25 9.119 4.729 0.742 185 H PHE 26 H PHE 26 8.062 4.761 -1.849 186 HA PHE 26 HA PHE 26 7.362 1.967 -2.203 187 1HB PHE 26 1HB PHE 26 5.771 3.987 -2.148 188 2HB PHE 26 2HB PHE 26 6.188 4.315 -3.809 189 HD1 PHE 26 HD1 PHE 26 3.445 3.421 -2.366 190 HD2 PHE 26 HD2 PHE 26 6.338 1.285 -4.727 191 HE1 PHE 26 HE1 PHE 26 1.664 1.980 -3.265 192 HE2 PHE 26 HE2 PHE 26 4.548 -0.167 -5.591 193 HZ PHE 26 HZ PHE 26 2.217 0.155 -4.837 194 H ASP 27 H ASP 27 9.021 4.286 -4.270 195 HA ASP 27 HA ASP 27 8.876 2.657 -6.773 196 1HB ASP 27 1HB ASP 27 9.022 5.273 -6.603 197 2HB ASP 27 2HB ASP 27 10.740 5.046 -6.370 198 H MET 28 H MET 28 11.095 3.134 -4.107 199 HA MET 28 HA MET 28 13.608 2.179 -5.002 200 1HB MET 28 1HB MET 28 12.743 0.929 -2.403 201 2HB MET 28 2HB MET 28 12.588 2.674 -2.490 202 1HG MET 28 1HG MET 28 15.126 0.990 -2.589 203 2HG MET 28 2HG MET 28 15.131 2.561 -3.407 204 1HE MET 28 1HE MET 28 16.777 4.225 -0.625 205 2HE MET 28 2HE MET 28 17.191 2.487 -0.546 206 3HE MET 28 3HE MET 28 16.956 3.274 -2.134 207 H PHE 29 H PHE 29 10.708 0.289 -4.223 208 HA PHE 29 HA PHE 29 12.051 -2.336 -5.011 209 1HB PHE 29 1HB PHE 29 9.285 -1.828 -3.739 210 2HB PHE 29 2HB PHE 29 9.869 -3.395 -4.225 211 HD1 PHE 29 HD1 PHE 29 9.065 -3.145 -1.470 212 HD2 PHE 29 HD2 PHE 29 12.888 -2.167 -3.192 213 HE1 PHE 29 HE1 PHE 29 10.151 -3.493 0.711 214 HE2 PHE 29 HE2 PHE 29 13.950 -2.509 -0.998 215 HZ PHE 29 HZ PHE 29 12.589 -3.171 0.952 216 H ASP 30 H ASP 30 9.495 -0.083 -5.925 217 HA ASP 30 HA ASP 30 8.377 -1.688 -8.166 218 1HB ASP 30 1HB ASP 30 7.254 0.325 -6.841 219 2HB ASP 30 2HB ASP 30 8.079 1.341 -8.000 220 H ALA 31 H ALA 31 10.092 -2.338 -9.396 221 HA ALA 31 HA ALA 31 12.309 -0.702 -10.397 222 1HB ALA 31 1HB ALA 31 12.739 -2.604 -11.959 223 2HB ALA 31 2HB ALA 31 12.444 -3.169 -10.303 224 3HB ALA 31 3HB ALA 31 11.173 -3.339 -11.542 225 H ASP 32 H ASP 32 9.412 -1.946 -12.087 226 HA ASP 32 HA ASP 32 9.195 0.591 -13.743 227 1HB ASP 32 1HB ASP 32 10.440 -0.547 -15.358 228 2HB ASP 32 2HB ASP 32 9.830 -2.124 -14.915 229 H GLY 33 H GLY 33 7.137 1.106 -14.242 230 1HA GLY 33 1HA GLY 33 4.716 0.157 -14.801 231 2HA GLY 33 2HA GLY 33 4.893 -0.760 -13.301 232 H GLY 34 H GLY 34 6.088 1.089 -11.632 233 1HA GLY 34 1HA GLY 34 5.470 2.810 -10.032 234 2HA GLY 34 2HA GLY 34 5.181 3.788 -11.475 235 H GLY 35 H GLY 35 3.504 0.844 -10.388 236 1HA GLY 35 1HA GLY 35 0.900 0.926 -11.018 237 2HA GLY 35 2HA GLY 35 0.896 2.420 -10.076 238 H ASP 36 H ASP 36 2.290 -0.835 -9.625 239 HA ASP 36 HA ASP 36 1.361 -0.919 -6.729 240 1HB ASP 36 1HB ASP 36 0.452 -3.334 -7.195 241 2HB ASP 36 2HB ASP 36 -0.560 -1.940 -7.491 242 H ILE 37 H ILE 37 2.064 -3.192 -5.851 243 HA ILE 37 HA ILE 37 4.680 -4.240 -6.991 244 HB ILE 37 HB ILE 37 5.880 -3.981 -4.812 245 1HG1 ILE 37 1HG1 ILE 37 3.462 -2.243 -4.055 246 2HG1 ILE 37 2HG1 ILE 37 5.046 -1.859 -3.417 247 1HG2 ILE 37 1HG2 ILE 37 6.646 -1.646 -5.258 248 2HG2 ILE 37 2HG2 ILE 37 6.360 -2.496 -6.784 249 3HG2 ILE 37 3HG2 ILE 37 5.174 -1.304 -6.200 250 1HD1 ILE 37 1HD1 ILE 37 5.256 -4.047 -2.279 251 2HD1 ILE 37 2HD1 ILE 37 3.738 -3.246 -1.820 252 3HD1 ILE 37 3HD1 ILE 37 3.709 -4.591 -2.983 253 H SER 38 H SER 38 5.353 -6.175 -5.756 254 HA SER 38 HA SER 38 3.243 -8.132 -5.330 255 1HB SER 38 1HB SER 38 5.910 -8.351 -5.714 256 2HB SER 38 2HB SER 38 5.906 -8.558 -3.961 257 HG SER 38 HG SER 38 4.818 -10.133 -5.968 258 H THR 39 H THR 39 2.341 -8.972 -3.499 259 HA THR 39 HA THR 39 1.953 -7.140 -1.172 260 HB THR 39 HB THR 39 0.156 -8.411 -0.501 261 HG1 THR 39 HG1 THR 39 -0.070 -10.578 -0.899 262 1HG2 THR 39 1HG2 THR 39 -1.192 -9.120 -2.428 263 2HG2 THR 39 2HG2 THR 39 -0.301 -7.645 -2.871 264 3HG2 THR 39 3HG2 THR 39 0.245 -9.234 -3.471 265 H LYS 40 H LYS 40 3.738 -10.079 -1.902 266 HA LYS 40 HA LYS 40 4.301 -11.007 0.817 267 1HB LYS 40 1HB LYS 40 4.812 -11.997 -1.748 268 2HB LYS 40 2HB LYS 40 5.292 -12.742 -0.237 269 1HG LYS 40 1HG LYS 40 7.064 -10.746 -1.768 270 2HG LYS 40 2HG LYS 40 7.542 -11.696 -0.375 271 1HD LYS 40 1HD LYS 40 6.829 -13.771 -2.045 272 2HD LYS 40 2HD LYS 40 7.176 -12.549 -3.258 273 1HE LYS 40 1HE LYS 40 9.145 -14.100 -2.610 274 2HE LYS 40 2HE LYS 40 9.225 -13.253 -1.063 275 1HZ LYS 40 1HZ LYS 40 9.854 -12.249 -3.755 276 2HZ LYS 40 2HZ LYS 40 9.315 -11.157 -2.639 277 3HZ LYS 40 3HZ LYS 40 10.678 -12.041 -2.338 278 H GLU 41 H GLU 41 5.847 -8.698 -1.350 279 HA GLU 41 HA GLU 41 8.230 -8.273 0.452 280 1HB GLU 41 1HB GLU 41 7.502 -7.310 -2.336 281 2HB GLU 41 2HB GLU 41 8.726 -6.449 -1.424 282 1HG GLU 41 1HG GLU 41 9.527 -9.174 -1.174 283 2HG GLU 41 2HG GLU 41 8.890 -9.082 -2.807 284 H LEU 42 H LEU 42 5.265 -6.658 -0.561 285 HA LEU 42 HA LEU 42 5.401 -4.012 0.222 286 1HB LEU 42 1HB LEU 42 3.199 -6.051 0.362 287 2HB LEU 42 2HB LEU 42 3.285 -4.540 -0.519 288 HG LEU 42 HG LEU 42 3.098 -3.494 2.009 289 1HD1 LEU 42 1HD1 LEU 42 0.635 -3.226 1.595 290 2HD1 LEU 42 2HD1 LEU 42 1.571 -2.922 0.123 291 3HD1 LEU 42 3HD1 LEU 42 0.700 -4.464 0.315 292 1HD2 LEU 42 1HD2 LEU 42 1.559 -6.170 2.224 293 2HD2 LEU 42 2HD2 LEU 42 2.996 -5.710 3.171 294 3HD2 LEU 42 3HD2 LEU 42 1.479 -4.819 3.385 295 H GLY 43 H GLY 43 4.928 -6.764 2.444 296 1HA GLY 43 1HA GLY 43 4.891 -5.529 5.041 297 2HA GLY 43 2HA GLY 43 5.651 -7.093 4.724 298 H THR 44 H THR 44 7.826 -6.932 3.563 299 HA THR 44 HA THR 44 9.874 -5.979 5.143 300 HB THR 44 HB THR 44 9.815 -6.462 2.164 301 HG1 THR 44 HG1 THR 44 10.021 -7.957 4.102 302 1HG2 THR 44 1HG2 THR 44 12.295 -6.182 2.008 303 2HG2 THR 44 2HG2 THR 44 11.491 -4.625 2.294 304 3HG2 THR 44 3HG2 THR 44 12.329 -5.451 3.632 305 H VAL 45 H VAL 45 8.028 -4.092 2.836 306 HA VAL 45 HA VAL 45 9.735 -1.756 2.543 307 HB VAL 45 HB VAL 45 6.681 -1.718 2.365 308 1HG1 VAL 45 1HG1 VAL 45 8.623 -2.301 0.043 309 2HG1 VAL 45 2HG1 VAL 45 7.744 -3.564 0.914 310 3HG1 VAL 45 3HG1 VAL 45 6.840 -2.329 0.007 311 1HG2 VAL 45 1HG2 VAL 45 6.907 0.191 0.862 312 2HG2 VAL 45 2HG2 VAL 45 7.869 0.577 2.307 313 3HG2 VAL 45 3HG2 VAL 45 8.684 0.052 0.827 314 H MET 46 H MET 46 6.867 -2.241 4.644 315 HA MET 46 HA MET 46 6.951 0.243 6.103 316 1HB MET 46 1HB MET 46 5.647 -0.958 7.926 317 2HB MET 46 2HB MET 46 5.917 -2.476 7.089 318 1HG MET 46 1HG MET 46 4.525 -0.129 5.669 319 2HG MET 46 2HG MET 46 4.528 -1.838 5.206 320 1HE MET 46 1HE MET 46 2.659 -3.340 8.538 321 2HE MET 46 2HE MET 46 3.808 -3.743 7.228 322 3HE MET 46 3HE MET 46 4.360 -2.785 8.633 323 NH1 ARG 47 NH1 ARG 47 11.710 -7.615 9.862 324 NH2 ARG 47 NH2 ARG 47 12.511 -8.501 7.930 325 H ARG 47 H ARG 47 8.714 -2.774 6.556 326 HA ARG 47 HA ARG 47 9.783 -2.278 9.266 327 1HB ARG 47 1HB ARG 47 10.501 -4.234 7.030 328 2HB ARG 47 2HB ARG 47 11.592 -4.031 8.393 329 1HG ARG 47 1HG ARG 47 8.684 -4.475 9.105 330 2HG ARG 47 2HG ARG 47 10.142 -4.996 9.951 331 1HD ARG 47 1HD ARG 47 8.872 -6.271 7.457 332 2HD ARG 47 2HD ARG 47 9.139 -7.014 9.032 333 HE ARG 47 HE ARG 47 11.291 -6.506 6.948 334 1HH1 ARG 47 1HH1 ARG 47 13.142 -9.041 8.532 335 2HH1 ARG 47 2HH1 ARG 47 12.452 -8.544 6.907 336 1HH2 ARG 47 1HH2 ARG 47 10.997 -7.033 10.317 337 2HH2 ARG 47 2HH2 ARG 47 12.438 -8.171 10.327 338 H MET 48 H MET 48 10.957 -1.673 5.973 339 HA MET 48 HA MET 48 13.603 -0.565 6.899 340 1HB MET 48 1HB MET 48 13.050 -0.072 4.053 341 2HB MET 48 2HB MET 48 12.654 -1.732 4.458 342 1HG MET 48 1HG MET 48 14.999 -1.996 5.486 343 2HG MET 48 2HG MET 48 14.966 -1.718 3.737 344 1HE MET 48 1HE MET 48 15.009 0.568 2.636 345 2HE MET 48 2HE MET 48 16.100 1.877 3.179 346 3HE MET 48 3HE MET 48 16.779 0.293 2.703 347 H LEU 49 H LEU 49 10.676 0.682 7.218 348 HA LEU 49 HA LEU 49 11.438 3.541 6.419 349 1HB LEU 49 1HB LEU 49 8.729 2.223 6.994 350 2HB LEU 49 2HB LEU 49 8.924 3.961 7.064 351 HG LEU 49 HG LEU 49 9.245 2.134 4.612 352 1HD1 LEU 49 1HD1 LEU 49 9.878 5.154 4.651 353 2HD1 LEU 49 2HD1 LEU 49 11.108 3.877 4.617 354 3HD1 LEU 49 3HD1 LEU 49 9.979 4.057 3.251 355 1HD2 LEU 49 1HD2 LEU 49 7.390 3.434 3.650 356 2HD2 LEU 49 2HD2 LEU 49 6.892 2.936 5.285 357 3HD2 LEU 49 3HD2 LEU 49 7.425 4.598 4.998 358 H GLY 50 H GLY 50 10.470 1.358 9.018 359 1HA GLY 50 1HA GLY 50 11.994 2.065 11.175 360 2HA GLY 50 2HA GLY 50 10.942 3.485 11.155 361 H GLN 51 H GLN 51 10.305 0.023 10.583 362 HA GLN 51 HA GLN 51 8.290 -0.047 12.900 363 1HB GLN 51 1HB GLN 51 7.727 -1.175 10.093 364 2HB GLN 51 2HB GLN 51 6.677 -1.277 11.495 365 1HG GLN 51 1HG GLN 51 7.520 1.449 10.371 366 2HG GLN 51 2HG GLN 51 6.193 0.552 9.662 367 1HE2 GLN 51 1HE2 GLN 51 4.517 2.730 12.145 368 2HE2 GLN 51 2HE2 GLN 51 5.385 2.849 10.533 369 H ASN 52 H ASN 52 7.762 -2.261 13.516 370 HA ASN 52 HA ASN 52 10.010 -4.251 12.994 371 1HB ASN 52 1HB ASN 52 10.750 -4.225 15.111 372 2HB ASN 52 2HB ASN 52 9.149 -4.407 15.794 373 1HD2 ASN 52 1HD2 ASN 52 8.839 -0.757 16.278 374 2HD2 ASN 52 2HD2 ASN 52 7.881 -2.294 15.986 375 HA PRO 53 HA PRO 53 5.430 -6.126 13.389 376 1HB PRO 53 1HB PRO 53 4.641 -6.418 10.764 377 2HB PRO 53 2HB PRO 53 4.394 -4.943 11.712 378 1HG PRO 53 1HG PRO 53 6.619 -5.501 9.689 379 2HG PRO 53 2HG PRO 53 5.594 -4.052 9.816 380 1HD PRO 53 1HD PRO 53 6.897 -3.177 11.620 381 2HD PRO 53 2HD PRO 53 8.160 -4.231 10.914 382 H THR 54 H THR 54 4.786 -8.312 12.407 383 HA THR 54 HA THR 54 7.275 -10.078 12.291 384 HB THR 54 HB THR 54 4.560 -11.232 12.963 385 HG1 THR 54 HG1 THR 54 4.575 -9.636 14.364 386 1HG2 THR 54 1HG2 THR 54 5.862 -12.757 14.412 387 2HG2 THR 54 2HG2 THR 54 6.514 -12.800 12.757 388 3HG2 THR 54 3HG2 THR 54 7.375 -11.898 14.031 389 H LYS 55 H LYS 55 6.989 -12.111 11.043 390 HA LYS 55 HA LYS 55 6.120 -11.581 8.250 391 1HB LYS 55 1HB LYS 55 8.141 -13.009 8.942 392 2HB LYS 55 2HB LYS 55 7.142 -13.631 7.646 393 1HG LYS 55 1HG LYS 55 5.942 -15.030 9.578 394 2HG LYS 55 2HG LYS 55 7.355 -14.625 10.533 395 1HD LYS 55 1HD LYS 55 7.050 -16.714 8.492 396 2HD LYS 55 2HD LYS 55 8.310 -15.605 7.976 397 1HE LYS 55 1HE LYS 55 8.382 -16.676 10.840 398 2HE LYS 55 2HE LYS 55 8.954 -17.692 9.516 399 1HZ LYS 55 1HZ LYS 55 10.318 -15.536 8.929 400 2HZ LYS 55 2HZ LYS 55 10.074 -15.161 10.520 401 3HZ LYS 55 3HZ LYS 55 10.849 -16.562 10.111 402 H GLU 56 H GLU 56 4.924 -13.402 11.023 403 HA GLU 56 HA GLU 56 2.828 -14.967 9.727 404 1HB GLU 56 1HB GLU 56 2.469 -14.052 12.593 405 2HB GLU 56 2HB GLU 56 3.863 -15.041 12.207 406 1HG GLU 56 1HG GLU 56 1.831 -16.332 13.051 407 2HG GLU 56 2HG GLU 56 0.946 -15.859 11.611 408 H GLU 57 H GLU 57 2.967 -11.684 10.996 409 HA GLU 57 HA GLU 57 0.060 -11.071 10.880 410 1HB GLU 57 1HB GLU 57 2.343 -9.033 10.869 411 2HB GLU 57 2HB GLU 57 0.661 -8.739 11.263 412 1HG GLU 57 1HG GLU 57 2.767 -10.224 12.925 413 2HG GLU 57 2HG GLU 57 1.063 -10.525 13.222 414 H LEU 58 H LEU 58 2.844 -10.784 8.727 415 HA LEU 58 HA LEU 58 1.660 -9.153 6.580 416 1HB LEU 58 1HB LEU 58 4.096 -9.471 6.730 417 2HB LEU 58 2HB LEU 58 3.945 -11.204 6.536 418 HG LEU 58 HG LEU 58 3.007 -9.293 4.322 419 1HD1 LEU 58 1HD1 LEU 58 4.033 -12.194 4.115 420 2HD1 LEU 58 2HD1 LEU 58 2.320 -11.772 4.249 421 3HD1 LEU 58 3HD1 LEU 58 3.255 -11.228 2.835 422 1HD2 LEU 58 1HD2 LEU 58 5.224 -9.432 3.241 423 2HD2 LEU 58 2HD2 LEU 58 5.447 -8.785 4.885 424 3HD2 LEU 58 3HD2 LEU 58 5.849 -10.478 4.541 425 H ASP 59 H ASP 59 1.673 -12.583 7.390 426 HA ASP 59 HA ASP 59 0.451 -13.630 4.936 427 1HB ASP 59 1HB ASP 59 1.018 -14.759 7.664 428 2HB ASP 59 2HB ASP 59 -0.318 -15.502 6.815 429 H ALA 60 H ALA 60 -0.821 -12.321 7.954 430 HA ALA 60 HA ALA 60 -3.655 -12.979 7.622 431 1HB ALA 60 1HB ALA 60 -4.066 -11.229 9.345 432 2HB ALA 60 2HB ALA 60 -2.719 -12.287 9.806 433 3HB ALA 60 3HB ALA 60 -2.391 -10.645 9.197 434 H ILE 61 H ILE 61 -1.703 -10.138 6.702 435 HA ILE 61 HA ILE 61 -3.630 -8.336 5.703 436 HB ILE 61 HB ILE 61 -0.806 -8.843 4.669 437 1HG1 ILE 61 1HG1 ILE 61 -0.584 -7.828 6.809 438 2HG1 ILE 61 2HG1 ILE 61 -2.047 -6.880 6.649 439 1HG2 ILE 61 1HG2 ILE 61 -0.956 -6.718 3.344 440 2HG2 ILE 61 2HG2 ILE 61 -2.116 -7.905 2.750 441 3HG2 ILE 61 3HG2 ILE 61 -2.680 -6.557 3.764 442 1HD1 ILE 61 1HD1 ILE 61 -0.980 -5.271 5.093 443 2HD1 ILE 61 2HD1 ILE 61 -0.023 -5.438 6.581 444 3HD1 ILE 61 3HD1 ILE 61 0.521 -6.238 5.088 445 H ILE 62 H ILE 62 -2.371 -11.315 4.326 446 HA ILE 62 HA ILE 62 -3.462 -11.031 1.589 447 HB ILE 62 HB ILE 62 -2.032 -13.157 3.102 448 1HG1 ILE 62 1HG1 ILE 62 -0.932 -11.671 1.350 449 2HG1 ILE 62 2HG1 ILE 62 -1.972 -12.355 0.119 450 1HG2 ILE 62 1HG2 ILE 62 -2.707 -15.052 1.605 451 2HG2 ILE 62 2HG2 ILE 62 -4.093 -14.476 2.530 452 3HG2 ILE 62 3HG2 ILE 62 -3.928 -14.022 0.819 453 1HD1 ILE 62 1HD1 ILE 62 -0.964 -14.608 0.345 454 2HD1 ILE 62 2HD1 ILE 62 0.292 -13.383 0.070 455 3HD1 ILE 62 3HD1 ILE 62 0.049 -14.044 1.703 456 H GLU 63 H GLU 63 -4.513 -12.705 4.552 457 HA GLU 63 HA GLU 63 -6.908 -13.974 3.519 458 1HB GLU 63 1HB GLU 63 -6.444 -13.060 6.407 459 2HB GLU 63 2HB GLU 63 -5.796 -14.529 5.706 460 1HG GLU 63 1HG GLU 63 -8.809 -14.178 5.515 461 2HG GLU 63 2HG GLU 63 -8.149 -14.407 7.126 462 H GLU 64 H GLU 64 -6.294 -10.695 4.614 463 HA GLU 64 HA GLU 64 -9.221 -9.956 4.726 464 1HB GLU 64 1HB GLU 64 -6.820 -8.130 5.256 465 2HB GLU 64 2HB GLU 64 -7.502 -9.204 6.463 466 1HG GLU 64 1HG GLU 64 -8.289 -6.782 6.617 467 2HG GLU 64 2HG GLU 64 -9.083 -6.952 5.061 468 H VAL 65 H VAL 65 -6.476 -9.663 2.591 469 HA VAL 65 HA VAL 65 -7.998 -7.740 0.747 470 HB VAL 65 HB VAL 65 -5.638 -7.142 2.000 471 1HG1 VAL 65 1HG1 VAL 65 -6.384 -6.010 -0.776 472 2HG1 VAL 65 2HG1 VAL 65 -7.248 -5.598 0.717 473 3HG1 VAL 65 3HG1 VAL 65 -5.527 -5.175 0.544 474 1HG2 VAL 65 1HG2 VAL 65 -3.721 -7.204 0.486 475 2HG2 VAL 65 2HG2 VAL 65 -4.345 -8.869 0.576 476 3HG2 VAL 65 3HG2 VAL 65 -4.694 -7.875 -0.846 477 H ASP 66 H ASP 66 -7.787 -10.799 1.011 478 HA ASP 66 HA ASP 66 -7.620 -11.413 -1.918 479 1HB ASP 66 1HB ASP 66 -5.643 -12.997 -0.219 480 2HB ASP 66 2HB ASP 66 -5.169 -11.455 -0.894 481 H GLU 67 H GLU 67 -9.575 -11.469 0.143 482 HA GLU 67 HA GLU 67 -10.287 -14.038 1.247 483 1HB GLU 67 1HB GLU 67 -11.791 -12.450 1.928 484 2HB GLU 67 2HB GLU 67 -11.884 -11.656 0.368 485 1HG GLU 67 1HG GLU 67 -13.618 -13.046 -0.414 486 2HG GLU 67 2HG GLU 67 -13.095 -14.437 0.520 487 H ASP 68 H ASP 68 -11.873 -12.849 -1.706 488 HA ASP 68 HA ASP 68 -12.127 -15.636 -2.800 489 1HB ASP 68 1HB ASP 68 -13.166 -12.994 -3.976 490 2HB ASP 68 2HB ASP 68 -14.059 -14.052 -2.908 491 H GLY 69 H GLY 69 -11.047 -12.540 -4.261 492 1HA GLY 69 1HA GLY 69 -8.387 -13.413 -5.169 493 2HA GLY 69 2HA GLY 69 -9.548 -13.753 -6.458 494 H SER 70 H SER 70 -7.340 -11.798 -6.248 495 HA SER 70 HA SER 70 -8.536 -9.553 -7.717 496 1HB SER 70 1HB SER 70 -9.476 -8.671 -5.744 497 2HB SER 70 2HB SER 70 -8.008 -7.719 -5.978 498 HG SER 70 HG SER 70 -6.987 -8.908 -4.429 499 H GLY 71 H GLY 71 -6.787 -7.601 -7.547 500 1HA GLY 71 1HA GLY 71 -4.641 -7.038 -8.604 501 2HA GLY 71 2HA GLY 71 -4.253 -8.761 -8.642 502 H THR 72 H THR 72 -2.432 -6.810 -7.912 503 HA THR 72 HA THR 72 -1.638 -7.696 -5.150 504 HB THR 72 HB THR 72 0.532 -6.753 -5.490 505 HG1 THR 72 HG1 THR 72 1.025 -5.552 -7.277 506 1HG2 THR 72 1HG2 THR 72 -0.445 -8.365 -7.889 507 2HG2 THR 72 2HG2 THR 72 1.200 -7.691 -7.894 508 3HG2 THR 72 3HG2 THR 72 0.706 -8.833 -6.617 509 H ILE 73 H ILE 73 -0.174 -5.245 -4.551 510 HA ILE 73 HA ILE 73 -2.520 -3.677 -3.431 511 HB ILE 73 HB ILE 73 -0.612 -4.880 -1.973 512 1HG1 ILE 73 1HG1 ILE 73 -2.813 -3.350 -1.437 513 2HG1 ILE 73 2HG1 ILE 73 -1.772 -4.066 -0.219 514 1HG2 ILE 73 1HG2 ILE 73 1.077 -3.345 -1.036 515 2HG2 ILE 73 2HG2 ILE 73 1.312 -3.453 -2.786 516 3HG2 ILE 73 3HG2 ILE 73 0.532 -2.015 -2.084 517 1HD1 ILE 73 1HD1 ILE 73 -2.054 -1.794 0.506 518 2HD1 ILE 73 2HD1 ILE 73 -0.420 -1.842 -0.190 519 3HD1 ILE 73 3HD1 ILE 73 -1.758 -1.134 -1.126 520 H ASP 74 H ASP 74 -2.740 -1.554 -3.770 521 HA ASP 74 HA ASP 74 -0.838 -0.187 -5.726 522 1HB ASP 74 1HB ASP 74 -3.173 1.398 -5.419 523 2HB ASP 74 2HB ASP 74 -3.678 -0.302 -5.642 524 H PHE 75 H PHE 75 -1.134 2.373 -5.335 525 HA PHE 75 HA PHE 75 0.389 2.878 -2.809 526 1HB PHE 75 1HB PHE 75 1.081 3.909 -4.976 527 2HB PHE 75 2HB PHE 75 -0.417 4.796 -5.079 528 HD1 PHE 75 HD1 PHE 75 -0.687 6.912 -3.852 529 HD2 PHE 75 HD2 PHE 75 2.744 4.436 -3.067 530 HE1 PHE 75 HE1 PHE 75 0.409 8.782 -2.686 531 HE2 PHE 75 HE2 PHE 75 3.780 6.289 -1.817 532 HZ PHE 75 HZ PHE 75 2.616 8.458 -1.620 533 H GLU 76 H GLU 76 -2.801 3.502 -4.157 534 HA GLU 76 HA GLU 76 -3.822 5.431 -2.193 535 1HB GLU 76 1HB GLU 76 -5.716 5.420 -3.379 536 2HB GLU 76 2HB GLU 76 -5.956 3.694 -3.193 537 1HG GLU 76 1HG GLU 76 -4.462 3.244 -5.173 538 2HG GLU 76 2HG GLU 76 -4.123 4.959 -5.331 539 H GLU 77 H GLU 77 -4.015 1.883 -2.439 540 HA GLU 77 HA GLU 77 -5.464 1.416 0.106 541 1HB GLU 77 1HB GLU 77 -3.715 -0.717 -1.169 542 2HB GLU 77 2HB GLU 77 -5.151 -0.167 -2.011 543 1HG GLU 77 1HG GLU 77 -4.932 -1.758 0.573 544 2HG GLU 77 2HG GLU 77 -6.309 -0.679 0.424 545 H PHE 78 H PHE 78 -2.106 1.741 -0.878 546 HA PHE 78 HA PHE 78 -0.730 0.727 1.462 547 1HB PHE 78 1HB PHE 78 0.278 1.449 -0.819 548 2HB PHE 78 2HB PHE 78 0.265 3.091 -0.232 549 HD1 PHE 78 HD1 PHE 78 0.956 0.227 2.094 550 HD2 PHE 78 HD2 PHE 78 2.730 3.289 -0.353 551 HE1 PHE 78 HE1 PHE 78 3.135 -0.156 3.176 552 HE2 PHE 78 HE2 PHE 78 4.904 2.878 0.725 553 HZ PHE 78 HZ PHE 78 5.112 1.157 2.486 554 H LEU 79 H LEU 79 -2.167 3.881 0.733 555 HA LEU 79 HA LEU 79 -1.251 5.303 3.159 556 1HB LEU 79 1HB LEU 79 -3.690 6.009 1.427 557 2HB LEU 79 2HB LEU 79 -2.852 7.070 2.538 558 HG LEU 79 HG LEU 79 -1.104 5.921 0.368 559 1HD1 LEU 79 1HD1 LEU 79 -1.976 7.443 -1.412 560 2HD1 LEU 79 2HD1 LEU 79 -3.214 6.264 -0.938 561 3HD1 LEU 79 3HD1 LEU 79 -3.324 7.945 -0.360 562 1HD2 LEU 79 1HD2 LEU 79 -1.509 8.795 1.436 563 2HD2 LEU 79 2HD2 LEU 79 -0.215 7.669 1.915 564 3HD2 LEU 79 3HD2 LEU 79 -0.269 8.292 0.259 565 H VAL 80 H VAL 80 -4.040 3.340 2.287 566 HA VAL 80 HA VAL 80 -5.789 4.046 4.542 567 HB VAL 80 HB VAL 80 -5.847 1.875 2.444 568 1HG1 VAL 80 1HG1 VAL 80 -8.064 3.829 3.322 569 2HG1 VAL 80 2HG1 VAL 80 -6.856 4.230 2.095 570 3HG1 VAL 80 3HG1 VAL 80 -7.976 2.876 1.818 571 1HG2 VAL 80 1HG2 VAL 80 -7.813 0.750 3.384 572 2HG2 VAL 80 2HG2 VAL 80 -6.531 0.671 4.615 573 3HG2 VAL 80 3HG2 VAL 80 -7.850 1.839 4.792 574 H MET 81 H MET 81 -3.289 1.621 3.985 575 HA MET 81 HA MET 81 -3.835 -0.027 6.411 576 1HB MET 81 1HB MET 81 -2.266 -1.501 5.635 577 2HB MET 81 2HB MET 81 -2.594 -0.672 4.124 578 1HG MET 81 1HG MET 81 -0.281 0.278 5.908 579 2HG MET 81 2HG MET 81 -0.523 0.552 4.175 580 1HE MET 81 1HE MET 81 0.724 -3.430 6.228 581 2HE MET 81 2HE MET 81 -0.185 -2.071 6.953 582 3HE MET 81 3HE MET 81 -1.033 -3.259 5.922 583 H MET 82 H MET 82 -1.719 2.642 5.504 584 HA MET 82 HA MET 82 0.144 2.587 7.755 585 1HB MET 82 1HB MET 82 0.660 4.983 7.189 586 2HB MET 82 2HB MET 82 -0.698 5.020 6.080 587 1HG MET 82 1HG MET 82 0.862 4.473 4.478 588 2HG MET 82 2HG MET 82 0.700 2.815 5.080 589 1HE MET 82 1HE MET 82 4.389 2.313 5.098 590 2HE MET 82 2HE MET 82 3.067 1.463 5.952 591 3HE MET 82 3HE MET 82 2.811 2.062 4.286 592 H VAL 83 H VAL 83 -2.643 4.758 7.159 593 HA VAL 83 HA VAL 83 -2.849 6.085 9.664 594 HB VAL 83 HB VAL 83 -4.857 5.455 7.525 595 1HG1 VAL 83 1HG1 VAL 83 -6.772 6.447 8.791 596 2HG1 VAL 83 2HG1 VAL 83 -6.242 4.938 9.546 597 3HG1 VAL 83 3HG1 VAL 83 -5.793 6.496 10.279 598 1HG2 VAL 83 1HG2 VAL 83 -4.123 8.097 8.954 599 2HG2 VAL 83 2HG2 VAL 83 -3.499 7.560 7.377 600 3HG2 VAL 83 3HG2 VAL 83 -5.219 7.931 7.558 601 NH1 ARG 84 NH1 ARG 84 -9.598 -0.972 9.112 602 NH2 ARG 84 NH2 ARG 84 -8.651 -1.488 7.112 603 H ARG 84 H ARG 84 -3.801 2.813 8.790 604 HA ARG 84 HA ARG 84 -5.408 2.013 11.080 605 1HB ARG 84 1HB ARG 84 -4.640 0.723 8.794 606 2HB ARG 84 2HB ARG 84 -3.491 -0.007 9.907 607 1HG ARG 84 1HG ARG 84 -5.368 -1.487 9.891 608 2HG ARG 84 2HG ARG 84 -5.430 -0.660 11.449 609 1HD ARG 84 1HD ARG 84 -7.689 -0.519 10.767 610 2HD ARG 84 2HD ARG 84 -7.078 1.053 10.257 611 HE ARG 84 HE ARG 84 -6.803 -0.044 7.875 612 1HH1 ARG 84 1HH1 ARG 84 -10.448 -1.402 8.730 613 2HH1 ARG 84 2HH1 ARG 84 -9.482 -0.561 10.044 614 1HH2 ARG 84 1HH2 ARG 84 -7.838 -1.408 6.491 615 2HH2 ARG 84 2HH2 ARG 84 -9.545 -1.944 6.897 616 H GLN 85 H GLN 85 -1.928 1.326 10.534 617 HA GLN 85 HA GLN 85 -1.368 0.179 13.145 618 1HB GLN 85 1HB GLN 85 0.908 1.631 11.807 619 2HB GLN 85 2HB GLN 85 0.069 0.456 10.811 620 1HG GLN 85 1HG GLN 85 0.555 -1.378 12.351 621 2HG GLN 85 2HG GLN 85 1.115 -0.289 13.603 622 1HE2 GLN 85 1HE2 GLN 85 4.090 -1.777 11.715 623 2HE2 GLN 85 2HE2 GLN 85 2.659 -2.422 12.665 624 H MET 86 H MET 86 -0.717 3.465 11.908 625 HA MET 86 HA MET 86 0.615 4.711 14.060 626 1HB MET 86 1HB MET 86 -1.233 5.772 11.923 627 2HB MET 86 2HB MET 86 -0.957 6.827 13.297 628 1HG MET 86 1HG MET 86 1.517 6.772 12.912 629 2HG MET 86 2HG MET 86 1.308 5.610 11.592 630 1HE MET 86 1HE MET 86 2.416 8.291 9.516 631 2HE MET 86 2HE MET 86 2.382 9.355 10.953 632 3HE MET 86 3HE MET 86 2.948 7.666 11.109 633 H LYS 87 H LYS 87 -2.843 4.052 13.751 634 HA LYS 87 HA LYS 87 -3.832 5.523 16.103 635 1HB LYS 87 1HB LYS 87 -5.556 4.876 14.637 636 2HB LYS 87 2HB LYS 87 -4.949 3.249 14.416 637 1HG LYS 87 1HG LYS 87 -6.439 2.499 15.933 638 2HG LYS 87 2HG LYS 87 -5.620 3.395 17.196 639 1HD LYS 87 1HD LYS 87 -7.206 5.408 16.005 640 2HD LYS 87 2HD LYS 87 -8.195 3.973 15.788 641 1HE LYS 87 1HE LYS 87 -8.529 3.618 18.096 642 2HE LYS 87 2HE LYS 87 -7.043 4.441 18.575 643 1HZ LYS 87 1HZ LYS 87 -8.088 6.444 18.558 644 2HZ LYS 87 2HZ LYS 87 -9.035 6.115 17.244 645 3HZ LYS 87 3HZ LYS 87 -9.462 5.543 18.734 646 H GLU 88 H GLU 88 -3.096 2.044 15.629 647 HA GLU 88 HA GLU 88 -2.490 0.292 17.157 648 1HB GLU 88 1HB GLU 88 -0.654 2.394 17.429 649 2HB GLU 88 2HB GLU 88 -1.107 2.071 19.091 650 1HG GLU 88 1HG GLU 88 -0.647 -0.534 18.125 651 2HG GLU 88 2HG GLU 88 0.502 0.400 17.184 652 H ASP 89 H ASP 89 -4.588 -0.129 17.810 653 HA ASP 89 HA ASP 89 -5.665 1.124 20.358 654 1HB ASP 89 1HB ASP 89 -7.775 0.138 19.923 655 2HB ASP 89 2HB ASP 89 -7.209 0.740 18.383 656 H ALA 90 H ALA 90 -4.712 0.381 22.094 657 HA ALA 90 HA ALA 90 -3.938 -1.099 23.835 658 1HB ALA 90 1HB ALA 90 -6.092 -2.178 23.894 659 2HB ALA 90 2HB ALA 90 -5.869 -2.947 22.310 660 3HB ALA 90 3HB ALA 90 -4.950 -3.534 23.718 Start of MODEL 38 Raw file had 660 H/Q atoms Start of MODEL 38 1 1H ALA 1 1H ALA 1 -21.558 7.704 9.549 2 2H ALA 1 2H ALA 1 -20.201 7.264 10.439 3 3H ALA 1 3H ALA 1 -20.023 8.121 9.003 4 HA ALA 1 HA ALA 1 -19.705 5.514 9.213 5 1HB ALA 1 1HB ALA 1 -21.781 4.637 9.717 6 2HB ALA 1 2HB ALA 1 -22.672 6.033 9.083 7 3HB ALA 1 3HB ALA 1 -22.071 4.780 7.967 8 H SER 2 H SER 2 -18.214 6.543 7.784 9 HA SER 2 HA SER 2 -19.149 6.693 4.866 10 1HB SER 2 1HB SER 2 -17.337 8.549 4.601 11 2HB SER 2 2HB SER 2 -18.893 8.976 5.318 12 HG SER 2 HG SER 2 -16.853 9.640 6.380 13 H MET 3 H MET 3 -18.283 4.362 5.714 14 HA MET 3 HA MET 3 -15.320 3.947 5.547 15 1HB MET 3 1HB MET 3 -17.643 2.283 6.236 16 2HB MET 3 2HB MET 3 -15.953 2.143 6.696 17 1HG MET 3 1HG MET 3 -15.760 1.156 4.124 18 2HG MET 3 2HG MET 3 -16.065 0.154 5.551 19 1HE MET 3 1HE MET 3 -17.384 -1.729 3.591 20 2HE MET 3 2HE MET 3 -17.508 -1.591 5.369 21 3HE MET 3 3HE MET 3 -18.991 -1.753 4.383 22 H THR 4 H THR 4 -18.091 3.940 3.396 23 HA THR 4 HA THR 4 -16.887 2.824 0.974 24 HB THR 4 HB THR 4 -19.385 3.518 1.458 25 HG1 THR 4 HG1 THR 4 -19.713 3.278 -0.649 26 1HG2 THR 4 1HG2 THR 4 -20.162 5.531 0.264 27 2HG2 THR 4 2HG2 THR 4 -19.106 6.024 1.606 28 3HG2 THR 4 3HG2 THR 4 -18.498 6.055 -0.069 29 H ASP 5 H ASP 5 -16.105 5.595 2.811 30 HA ASP 5 HA ASP 5 -14.297 6.624 0.577 31 1HB ASP 5 1HB ASP 5 -16.592 8.045 1.435 32 2HB ASP 5 2HB ASP 5 -15.285 8.821 2.300 33 H GLN 6 H GLN 6 -13.534 4.854 2.487 34 HA GLN 6 HA GLN 6 -12.031 6.288 4.697 35 1HB GLN 6 1HB GLN 6 -11.095 3.987 5.206 36 2HB GLN 6 2HB GLN 6 -12.834 4.158 5.371 37 1HG GLN 6 1HG GLN 6 -13.137 2.352 4.059 38 2HG GLN 6 2HG GLN 6 -12.499 3.235 2.688 39 1HE2 GLN 6 1HE2 GLN 6 -9.876 0.713 4.746 40 2HE2 GLN 6 2HE2 GLN 6 -11.056 1.774 5.668 41 H GLN 7 H GLN 7 -11.526 4.787 1.545 42 HA GLN 7 HA GLN 7 -8.672 4.657 1.299 43 1HB GLN 7 1HB GLN 7 -10.840 5.228 -0.776 44 2HB GLN 7 2HB GLN 7 -9.147 5.341 -1.222 45 1HG GLN 7 1HG GLN 7 -8.727 3.000 -0.771 46 2HG GLN 7 2HG GLN 7 -10.221 2.800 0.121 47 1HE2 GLN 7 1HE2 GLN 7 -10.799 3.309 -3.977 48 2HE2 GLN 7 2HE2 GLN 7 -9.629 4.386 -3.062 49 H ALA 8 H ALA 8 -10.846 7.434 0.719 50 HA ALA 8 HA ALA 8 -8.654 9.312 -0.045 51 1HB ALA 8 1HB ALA 8 -10.699 11.013 0.200 52 2HB ALA 8 2HB ALA 8 -10.623 9.873 -1.158 53 3HB ALA 8 3HB ALA 8 -11.680 9.529 0.234 54 H GLU 9 H GLU 9 -10.489 8.505 2.846 55 HA GLU 9 HA GLU 9 -9.850 10.709 4.625 56 1HB GLU 9 1HB GLU 9 -11.326 8.461 4.949 57 2HB GLU 9 2HB GLU 9 -9.884 7.920 5.784 58 1HG GLU 9 1HG GLU 9 -11.138 10.623 6.522 59 2HG GLU 9 2HG GLU 9 -10.069 9.621 7.488 60 H ALA 10 H ALA 10 -7.994 7.921 3.531 61 HA ALA 10 HA ALA 10 -5.850 7.789 5.430 62 1HB ALA 10 1HB ALA 10 -4.519 6.675 3.645 63 2HB ALA 10 2HB ALA 10 -6.187 6.071 3.681 64 3HB ALA 10 3HB ALA 10 -5.680 7.207 2.405 65 NH1 ARG 11 NH1 ARG 11 -6.885 15.759 -0.776 66 NH2 ARG 11 NH2 ARG 11 -8.953 14.845 -0.556 67 H ARG 11 H ARG 11 -5.751 9.442 2.252 68 HA ARG 11 HA ARG 11 -3.148 10.788 2.672 69 1HB ARG 11 1HB ARG 11 -4.040 10.263 0.391 70 2HB ARG 11 2HB ARG 11 -3.539 11.936 0.591 71 1HG ARG 11 1HG ARG 11 -5.916 11.204 -0.561 72 2HG ARG 11 2HG ARG 11 -6.473 11.396 1.103 73 1HD ARG 11 1HD ARG 11 -5.044 13.722 0.935 74 2HD ARG 11 2HD ARG 11 -5.352 13.512 -0.787 75 HE ARG 11 HE ARG 11 -7.736 13.373 1.101 76 1HH1 ARG 11 1HH1 ARG 11 -9.292 15.697 -1.017 77 2HH1 ARG 11 2HH1 ARG 11 -9.516 14.041 -0.259 78 1HH2 ARG 11 1HH2 ARG 11 -5.871 15.638 -0.678 79 2HH2 ARG 11 2HH2 ARG 11 -7.371 16.565 -1.185 80 H ALA 12 H ALA 12 -6.546 11.707 3.039 81 HA ALA 12 HA ALA 12 -6.472 14.512 3.492 82 1HB ALA 12 1HB ALA 12 -8.481 14.251 4.935 83 2HB ALA 12 2HB ALA 12 -8.590 13.227 3.489 84 3HB ALA 12 3HB ALA 12 -8.197 12.498 5.066 85 H PHE 13 H PHE 13 -5.447 11.901 5.633 86 HA PHE 13 HA PHE 13 -5.218 13.499 8.118 87 1HB PHE 13 1HB PHE 13 -4.102 10.731 7.381 88 2HB PHE 13 2HB PHE 13 -5.598 11.059 8.214 89 HD1 PHE 13 HD1 PHE 13 -4.651 13.199 10.216 90 HD2 PHE 13 HD2 PHE 13 -2.828 9.501 8.978 91 HE1 PHE 13 HE1 PHE 13 -3.413 13.085 12.340 92 HE2 PHE 13 HE2 PHE 13 -1.600 9.406 11.108 93 HZ PHE 13 HZ PHE 13 -1.904 11.182 12.799 94 H LEU 14 H LEU 14 -2.849 12.105 5.832 95 HA LEU 14 HA LEU 14 -0.508 13.533 7.024 96 1HB LEU 14 1HB LEU 14 -0.504 12.114 4.311 97 2HB LEU 14 2HB LEU 14 0.853 12.425 5.371 98 HG LEU 14 HG LEU 14 -1.446 10.481 6.033 99 1HD1 LEU 14 1HD1 LEU 14 1.263 10.808 7.473 100 2HD1 LEU 14 2HD1 LEU 14 -0.268 11.482 8.063 101 3HD1 LEU 14 3HD1 LEU 14 -0.069 9.716 7.933 102 1HD2 LEU 14 1HD2 LEU 14 0.076 8.632 5.471 103 2HD2 LEU 14 2HD2 LEU 14 0.037 9.731 4.070 104 3HD2 LEU 14 3HD2 LEU 14 1.426 9.756 5.167 105 H SER 15 H SER 15 0.859 14.948 5.727 106 HA SER 15 HA SER 15 -0.663 17.251 4.655 107 1HB SER 15 1HB SER 15 1.588 18.324 4.388 108 2HB SER 15 2HB SER 15 2.370 16.798 4.808 109 HG SER 15 HG SER 15 0.650 17.088 6.682 110 H GLU 16 H GLU 16 0.593 18.309 2.616 111 HA GLU 16 HA GLU 16 -0.071 16.560 0.266 112 1HB GLU 16 1HB GLU 16 -0.591 19.143 0.627 113 2HB GLU 16 2HB GLU 16 1.021 19.382 -0.017 114 1HG GLU 16 1HG GLU 16 0.439 18.597 -2.188 115 2HG GLU 16 2HG GLU 16 -0.987 19.486 -1.678 116 H GLU 17 H GLU 17 2.731 18.019 1.810 117 HA GLU 17 HA GLU 17 4.689 17.251 -0.347 118 1HB GLU 17 1HB GLU 17 5.336 18.347 2.438 119 2HB GLU 17 2HB GLU 17 6.439 18.203 1.083 120 1HG GLU 17 1HG GLU 17 4.006 20.093 1.264 121 2HG GLU 17 2HG GLU 17 5.698 20.549 1.369 122 H MET 18 H MET 18 3.586 16.130 2.805 123 HA MET 18 HA MET 18 5.550 14.151 3.535 124 1HB MET 18 1HB MET 18 2.548 13.679 3.928 125 2HB MET 18 2HB MET 18 3.417 14.899 4.841 126 1HG MET 18 1HG MET 18 4.551 12.064 4.845 127 2HG MET 18 2HG MET 18 3.096 12.404 5.795 128 1HE MET 18 1HE MET 18 5.050 12.045 8.474 129 2HE MET 18 2HE MET 18 5.416 11.259 6.909 130 3HE MET 18 3HE MET 18 6.664 12.247 7.723 131 H ILE 19 H ILE 19 2.704 13.874 1.408 132 HA ILE 19 HA ILE 19 2.892 11.124 0.564 133 HB ILE 19 HB ILE 19 1.739 13.593 -0.721 134 1HG1 ILE 19 1HG1 ILE 19 -0.354 12.185 -0.799 135 2HG1 ILE 19 2HG1 ILE 19 0.525 10.803 -0.181 136 1HG2 ILE 19 1HG2 ILE 19 1.132 12.391 -2.833 137 2HG2 ILE 19 2HG2 ILE 19 2.884 12.509 -2.679 138 3HG2 ILE 19 3HG2 ILE 19 2.072 10.968 -2.320 139 1HD1 ILE 19 1HD1 ILE 19 0.000 13.373 1.424 140 2HD1 ILE 19 2HD1 ILE 19 -0.738 11.775 1.655 141 3HD1 ILE 19 3HD1 ILE 19 0.994 12.004 1.992 142 H ALA 20 H ALA 20 4.404 14.032 -0.874 143 HA ALA 20 HA ALA 20 5.817 12.972 -3.073 144 1HB ALA 20 1HB ALA 20 7.325 14.983 -1.385 145 2HB ALA 20 2HB ALA 20 7.012 14.967 -3.131 146 3HB ALA 20 3HB ALA 20 5.723 15.451 -2.000 147 H GLU 21 H GLU 21 6.718 12.824 0.350 148 HA GLU 21 HA GLU 21 9.454 11.743 -0.078 149 1HB GLU 21 1HB GLU 21 9.822 12.135 2.103 150 2HB GLU 21 2HB GLU 21 8.353 13.084 1.996 151 1HG GLU 21 1HG GLU 21 8.646 10.241 3.146 152 2HG GLU 21 2HG GLU 21 7.072 10.939 2.801 153 H PHE 22 H PHE 22 6.290 10.429 0.846 154 HA PHE 22 HA PHE 22 7.083 7.728 1.585 155 1HB PHE 22 1HB PHE 22 4.449 8.977 0.726 156 2HB PHE 22 2HB PHE 22 4.548 7.236 0.740 157 HD1 PHE 22 HD1 PHE 22 6.698 7.391 3.241 158 HD2 PHE 22 HD2 PHE 22 2.700 8.826 2.541 159 HE1 PHE 22 HE1 PHE 22 6.360 7.664 5.662 160 HE2 PHE 22 HE2 PHE 22 2.379 9.082 4.967 161 HZ PHE 22 HZ PHE 22 4.198 8.489 6.531 162 H LYS 23 H LYS 23 6.406 9.268 -1.501 163 HA LYS 23 HA LYS 23 6.053 6.921 -3.210 164 1HB LYS 23 1HB LYS 23 7.366 9.304 -4.489 165 2HB LYS 23 2HB LYS 23 5.987 8.363 -5.018 166 1HG LYS 23 1HG LYS 23 4.811 9.585 -2.881 167 2HG LYS 23 2HG LYS 23 6.092 10.753 -3.142 168 1HD LYS 23 1HD LYS 23 3.723 10.073 -4.942 169 2HD LYS 23 2HD LYS 23 4.298 11.634 -4.380 170 1HE LYS 23 1HE LYS 23 5.017 11.815 -6.571 171 2HE LYS 23 2HE LYS 23 6.468 11.057 -5.910 172 1HZ LYS 23 1HZ LYS 23 5.126 10.105 -8.003 173 2HZ LYS 23 2HZ LYS 23 6.027 9.135 -7.015 174 3HZ LYS 23 3HZ LYS 23 4.389 9.216 -6.822 175 H ALA 24 H ALA 24 8.900 8.825 -2.257 176 HA ALA 24 HA ALA 24 10.946 7.824 -3.968 177 1HB ALA 24 1HB ALA 24 12.577 8.421 -2.187 178 2HB ALA 24 2HB ALA 24 11.335 9.675 -2.365 179 3HB ALA 24 3HB ALA 24 11.269 8.547 -0.986 180 H ALA 25 H ALA 25 9.537 6.352 -1.076 181 HA ALA 25 HA ALA 25 11.493 4.083 -0.932 182 1HB ALA 25 1HB ALA 25 10.139 3.330 1.015 183 2HB ALA 25 2HB ALA 25 10.570 5.045 1.156 184 3HB ALA 25 3HB ALA 25 8.915 4.581 0.688 185 H PHE 26 H PHE 26 8.227 4.684 -2.098 186 HA PHE 26 HA PHE 26 7.261 1.946 -2.456 187 1HB PHE 26 1HB PHE 26 5.868 4.103 -2.539 188 2HB PHE 26 2HB PHE 26 6.469 4.389 -4.152 189 HD1 PHE 26 HD1 PHE 26 4.625 4.020 -5.622 190 HD2 PHE 26 HD2 PHE 26 5.338 1.147 -2.501 191 HE1 PHE 26 HE1 PHE 26 2.809 2.604 -6.495 192 HE2 PHE 26 HE2 PHE 26 3.505 -0.245 -3.375 193 HZ PHE 26 HZ PHE 26 2.273 0.455 -5.399 194 H ASP 27 H ASP 27 9.309 4.085 -4.362 195 HA ASP 27 HA ASP 27 9.260 2.515 -6.874 196 1HB ASP 27 1HB ASP 27 11.003 4.849 -5.945 197 2HB ASP 27 2HB ASP 27 9.701 4.857 -7.111 198 H MET 28 H MET 28 11.197 2.527 -3.961 199 HA MET 28 HA MET 28 13.620 1.220 -4.610 200 1HB MET 28 1HB MET 28 12.018 0.261 -2.183 201 2HB MET 28 2HB MET 28 12.706 1.874 -2.247 202 1HG MET 28 1HG MET 28 14.161 0.169 -1.038 203 2HG MET 28 2HG MET 28 14.384 -0.694 -2.569 204 1HE MET 28 1HE MET 28 16.655 -0.723 -2.682 205 2HE MET 28 2HE MET 28 16.711 0.130 -4.252 206 3HE MET 28 3HE MET 28 17.795 0.637 -2.924 207 H PHE 29 H PHE 29 10.419 -0.279 -4.186 208 HA PHE 29 HA PHE 29 11.455 -3.004 -5.090 209 1HB PHE 29 1HB PHE 29 9.214 -3.892 -4.430 210 2HB PHE 29 2HB PHE 29 8.637 -2.285 -4.087 211 HD1 PHE 29 HD1 PHE 29 11.769 -1.790 -2.859 212 HD2 PHE 29 HD2 PHE 29 8.353 -4.256 -1.975 213 HE1 PHE 29 HE1 PHE 29 12.510 -1.999 -0.521 214 HE2 PHE 29 HE2 PHE 29 9.111 -4.448 0.359 215 HZ PHE 29 HZ PHE 29 11.179 -3.317 1.091 216 H ASP 30 H ASP 30 9.290 -0.365 -5.981 217 HA ASP 30 HA ASP 30 8.423 -1.669 -8.556 218 1HB ASP 30 1HB ASP 30 7.787 1.141 -7.489 219 2HB ASP 30 2HB ASP 30 6.796 -0.283 -7.269 220 H ALA 31 H ALA 31 10.717 -1.912 -9.159 221 HA ALA 31 HA ALA 31 12.614 0.172 -9.786 222 1HB ALA 31 1HB ALA 31 13.637 -1.466 -11.370 223 2HB ALA 31 2HB ALA 31 13.207 -2.228 -9.827 224 3HB ALA 31 3HB ALA 31 12.198 -2.508 -11.270 225 H ASP 32 H ASP 32 9.723 -0.894 -11.452 226 HA ASP 32 HA ASP 32 10.328 0.380 -14.087 227 1HB ASP 32 1HB ASP 32 8.763 -1.638 -13.805 228 2HB ASP 32 2HB ASP 32 7.558 -0.546 -13.161 229 H GLY 33 H GLY 33 7.792 1.051 -11.638 230 1HA GLY 33 1HA GLY 33 7.451 3.394 -10.683 231 2HA GLY 33 2HA GLY 33 8.045 4.045 -12.213 232 H GLY 34 H GLY 34 5.755 1.362 -11.862 233 1HA GLY 34 1HA GLY 34 3.711 2.680 -13.643 234 2HA GLY 34 2HA GLY 34 3.601 1.052 -12.965 235 H GLY 35 H GLY 35 4.182 1.878 -10.236 236 1HA GLY 35 1HA GLY 35 3.095 3.280 -8.403 237 2HA GLY 35 2HA GLY 35 1.701 3.494 -9.466 238 H ASP 36 H ASP 36 3.417 0.455 -8.962 239 HA ASP 36 HA ASP 36 1.377 -0.733 -7.103 240 1HB ASP 36 1HB ASP 36 0.436 -2.407 -8.562 241 2HB ASP 36 2HB ASP 36 0.142 -0.831 -9.258 242 H ILE 37 H ILE 37 2.053 -2.669 -6.242 243 HA ILE 37 HA ILE 37 4.638 -3.996 -7.136 244 HB ILE 37 HB ILE 37 5.767 -3.844 -5.015 245 1HG1 ILE 37 1HG1 ILE 37 4.382 -1.716 -3.588 246 2HG1 ILE 37 2HG1 ILE 37 3.196 -2.963 -3.911 247 1HG2 ILE 37 1HG2 ILE 37 6.456 -1.444 -5.052 248 2HG2 ILE 37 2HG2 ILE 37 6.204 -2.032 -6.702 249 3HG2 ILE 37 3HG2 ILE 37 4.976 -0.995 -5.936 250 1HD1 ILE 37 1HD1 ILE 37 5.827 -3.436 -2.394 251 2HD1 ILE 37 2HD1 ILE 37 4.179 -3.404 -1.731 252 3HD1 ILE 37 3HD1 ILE 37 4.662 -4.714 -2.833 253 H SER 38 H SER 38 4.896 -6.065 -6.101 254 HA SER 38 HA SER 38 2.494 -7.688 -5.803 255 1HB SER 38 1HB SER 38 3.993 -9.326 -6.051 256 2HB SER 38 2HB SER 38 4.676 -8.994 -4.444 257 HG SER 38 HG SER 38 5.451 -8.040 -6.965 258 H THR 39 H THR 39 1.681 -8.720 -3.945 259 HA THR 39 HA THR 39 1.469 -6.963 -1.522 260 HB THR 39 HB THR 39 -0.517 -8.141 -2.585 261 HG1 THR 39 HG1 THR 39 -1.359 -8.659 -0.476 262 1HG2 THR 39 1HG2 THR 39 -1.111 -10.418 -1.884 263 2HG2 THR 39 2HG2 THR 39 0.416 -10.485 -2.794 264 3HG2 THR 39 3HG2 THR 39 0.428 -10.619 -1.015 265 H LYS 40 H LYS 40 2.988 -9.983 -2.482 266 HA LYS 40 HA LYS 40 3.522 -11.193 0.103 267 1HB LYS 40 1HB LYS 40 4.724 -11.478 -2.661 268 2HB LYS 40 2HB LYS 40 3.900 -12.668 -1.676 269 1HG LYS 40 1HG LYS 40 6.570 -11.753 -0.603 270 2HG LYS 40 2HG LYS 40 5.846 -13.348 -0.594 271 1HD LYS 40 1HD LYS 40 6.771 -12.185 -3.274 272 2HD LYS 40 2HD LYS 40 7.974 -12.736 -2.120 273 1HE LYS 40 1HE LYS 40 6.850 -14.389 -3.995 274 2HE LYS 40 2HE LYS 40 5.724 -14.697 -2.673 275 1HZ LYS 40 1HZ LYS 40 8.599 -15.283 -2.827 276 2HZ LYS 40 2HZ LYS 40 7.973 -14.958 -1.333 277 3HZ LYS 40 3HZ LYS 40 7.368 -16.208 -2.228 278 H GLU 41 H GLU 41 5.188 -8.702 -1.753 279 HA GLU 41 HA GLU 41 7.476 -8.533 0.236 280 1HB GLU 41 1HB GLU 41 7.085 -7.443 -2.578 281 2HB GLU 41 2HB GLU 41 8.301 -6.743 -1.528 282 1HG GLU 41 1HG GLU 41 9.377 -9.048 -1.274 283 2HG GLU 41 2HG GLU 41 8.172 -9.712 -2.365 284 H LEU 42 H LEU 42 4.703 -6.740 -0.980 285 HA LEU 42 HA LEU 42 4.943 -4.108 -0.165 286 1HB LEU 42 1HB LEU 42 2.875 -4.649 -1.135 287 2HB LEU 42 2HB LEU 42 2.579 -6.004 -0.066 288 HG LEU 42 HG LEU 42 2.551 -3.780 1.704 289 1HD1 LEU 42 1HD1 LEU 42 0.952 -2.149 0.660 290 2HD1 LEU 42 2HD1 LEU 42 2.503 -2.164 -0.193 291 3HD1 LEU 42 3HD1 LEU 42 1.094 -2.989 -0.905 292 1HD2 LEU 42 1HD2 LEU 42 0.140 -5.177 0.358 293 2HD2 LEU 42 2HD2 LEU 42 0.995 -5.740 1.815 294 3HD2 LEU 42 3HD2 LEU 42 0.090 -4.216 1.859 295 H GLY 43 H GLY 43 4.240 -6.865 1.976 296 1HA GLY 43 1HA GLY 43 4.013 -5.611 4.574 297 2HA GLY 43 2HA GLY 43 4.695 -7.221 4.315 298 H THR 44 H THR 44 6.966 -7.103 3.206 299 HA THR 44 HA THR 44 8.967 -6.329 4.948 300 HB THR 44 HB THR 44 9.054 -6.634 1.941 301 HG1 THR 44 HG1 THR 44 9.488 -8.074 4.186 302 1HG2 THR 44 1HG2 THR 44 11.552 -6.514 1.959 303 2HG2 THR 44 2HG2 THR 44 10.830 -4.927 2.303 304 3HG2 THR 44 3HG2 THR 44 11.524 -5.895 3.630 305 H VAL 45 H VAL 45 7.702 -4.302 2.305 306 HA VAL 45 HA VAL 45 9.500 -2.067 2.402 307 HB VAL 45 HB VAL 45 7.510 -2.572 0.750 308 1HG1 VAL 45 1HG1 VAL 45 8.172 0.377 1.361 309 2HG1 VAL 45 2HG1 VAL 45 9.288 -0.719 0.536 310 3HG1 VAL 45 3HG1 VAL 45 7.720 -0.337 -0.210 311 1HG2 VAL 45 1HG2 VAL 45 5.496 -1.207 0.966 312 2HG2 VAL 45 2HG2 VAL 45 5.637 -2.133 2.479 313 3HG2 VAL 45 3HG2 VAL 45 6.093 -0.423 2.452 314 H MET 46 H MET 46 6.473 -2.610 4.222 315 HA MET 46 HA MET 46 6.210 -0.227 5.742 316 1HB MET 46 1HB MET 46 5.014 -1.495 7.469 317 2HB MET 46 2HB MET 46 5.744 -3.005 6.955 318 1HG MET 46 1HG MET 46 4.551 -2.517 4.607 319 2HG MET 46 2HG MET 46 3.624 -3.174 5.965 320 1HE MET 46 1HE MET 46 1.726 -2.310 6.971 321 2HE MET 46 2HE MET 46 2.430 -0.965 7.917 322 3HE MET 46 3HE MET 46 1.030 -0.664 6.846 323 NH1 ARG 47 NH1 ARG 47 13.168 -6.066 11.588 324 NH2 ARG 47 NH2 ARG 47 14.035 -7.570 10.123 325 H ARG 47 H ARG 47 8.167 -3.100 6.570 326 HA ARG 47 HA ARG 47 9.259 -2.098 9.114 327 1HB ARG 47 1HB ARG 47 9.191 -4.575 8.048 328 2HB ARG 47 2HB ARG 47 10.780 -4.130 7.445 329 1HG ARG 47 1HG ARG 47 10.098 -3.813 10.419 330 2HG ARG 47 2HG ARG 47 11.695 -3.795 9.669 331 1HD ARG 47 1HD ARG 47 10.082 -6.317 9.201 332 2HD ARG 47 2HD ARG 47 10.581 -6.037 10.868 333 HE ARG 47 HE ARG 47 12.515 -6.321 8.521 334 1HH1 ARG 47 1HH1 ARG 47 14.757 -7.728 10.834 335 2HH1 ARG 47 2HH1 ARG 47 13.949 -8.045 9.217 336 1HH2 ARG 47 1HH2 ARG 47 12.394 -5.435 11.823 337 2HH2 ARG 47 2HH2 ARG 47 13.981 -6.288 12.175 338 H MET 48 H MET 48 10.271 -1.868 5.750 339 HA MET 48 HA MET 48 13.035 -0.869 6.326 340 1HB MET 48 1HB MET 48 12.662 -0.274 3.646 341 2HB MET 48 2HB MET 48 11.476 -1.551 3.851 342 1HG MET 48 1HG MET 48 13.338 -2.835 3.256 343 2HG MET 48 2HG MET 48 13.515 -2.879 5.017 344 1HE MET 48 1HE MET 48 16.113 -1.094 1.811 345 2HE MET 48 2HE MET 48 16.394 -2.745 2.438 346 3HE MET 48 3HE MET 48 14.792 -2.303 1.780 347 H LEU 49 H LEU 49 10.111 0.583 6.744 348 HA LEU 49 HA LEU 49 10.925 3.364 5.829 349 1HB LEU 49 1HB LEU 49 8.644 3.916 7.094 350 2HB LEU 49 2HB LEU 49 8.367 2.190 7.014 351 HG LEU 49 HG LEU 49 8.372 2.196 4.558 352 1HD1 LEU 49 1HD1 LEU 49 6.393 3.652 4.096 353 2HD1 LEU 49 2HD1 LEU 49 6.215 2.834 5.659 354 3HD1 LEU 49 3HD1 LEU 49 6.671 4.555 5.607 355 1HD2 LEU 49 1HD2 LEU 49 9.118 5.195 4.684 356 2HD2 LEU 49 2HD2 LEU 49 10.159 3.878 4.091 357 3HD2 LEU 49 3HD2 LEU 49 8.683 4.295 3.209 358 H GLY 50 H GLY 50 10.481 1.366 8.707 359 1HA GLY 50 1HA GLY 50 12.520 2.001 10.391 360 2HA GLY 50 2HA GLY 50 11.653 3.535 10.514 361 H GLN 51 H GLN 51 10.533 0.151 10.388 362 HA GLN 51 HA GLN 51 9.009 0.532 13.031 363 1HB GLN 51 1HB GLN 51 7.960 -0.548 10.369 364 2HB GLN 51 2HB GLN 51 7.281 -1.109 11.886 365 1HG GLN 51 1HG GLN 51 6.932 1.446 12.469 366 2HG GLN 51 2HG GLN 51 7.228 1.746 10.768 367 1HE2 GLN 51 1HE2 GLN 51 3.622 1.374 10.586 368 2HE2 GLN 51 2HE2 GLN 51 4.957 2.582 10.940 369 H ASN 52 H ASN 52 8.235 -1.739 13.756 370 HA ASN 52 HA ASN 52 10.394 -3.831 13.347 371 1HB ASN 52 1HB ASN 52 9.640 -2.751 16.117 372 2HB ASN 52 2HB ASN 52 11.088 -2.305 15.240 373 1HD2 ASN 52 1HD2 ASN 52 11.637 -5.213 17.735 374 2HD2 ASN 52 2HD2 ASN 52 10.949 -3.514 17.831 375 HA PRO 53 HA PRO 53 5.954 -5.525 14.232 376 1HB PRO 53 1HB PRO 53 5.039 -6.302 11.763 377 2HB PRO 53 2HB PRO 53 5.011 -4.626 12.332 378 1HG PRO 53 1HG PRO 53 6.998 -5.917 10.419 379 2HG PRO 53 2HG PRO 53 6.244 -4.311 10.305 380 1HD PRO 53 1HD PRO 53 7.917 -3.359 11.682 381 2HD PRO 53 2HD PRO 53 8.830 -4.865 11.362 382 H THR 54 H THR 54 5.109 -7.830 12.894 383 HA THR 54 HA THR 54 7.388 -9.854 13.207 384 HB THR 54 HB THR 54 5.009 -9.720 14.772 385 HG1 THR 54 HG1 THR 54 6.186 -12.025 15.078 386 1HG2 THR 54 1HG2 THR 54 4.011 -11.968 14.513 387 2HG2 THR 54 2HG2 THR 54 3.770 -11.030 13.021 388 3HG2 THR 54 3HG2 THR 54 5.019 -12.300 13.084 389 H LYS 55 H LYS 55 7.145 -11.778 11.924 390 HA LYS 55 HA LYS 55 6.464 -11.124 9.089 391 1HB LYS 55 1HB LYS 55 7.156 -13.680 8.804 392 2HB LYS 55 2HB LYS 55 7.720 -13.557 10.457 393 1HG LYS 55 1HG LYS 55 8.789 -12.229 7.946 394 2HG LYS 55 2HG LYS 55 9.652 -13.133 9.174 395 1HD LYS 55 1HD LYS 55 8.553 -10.265 9.534 396 2HD LYS 55 2HD LYS 55 9.361 -11.196 10.784 397 1HE LYS 55 1HE LYS 55 10.581 -9.968 8.276 398 2HE LYS 55 2HE LYS 55 11.124 -9.834 9.950 399 1HZ LYS 55 1HZ LYS 55 11.621 -11.966 8.010 400 2HZ LYS 55 2HZ LYS 55 12.617 -11.346 9.174 401 3HZ LYS 55 3HZ LYS 55 11.454 -12.446 9.582 402 H GLU 56 H GLU 56 5.173 -13.096 11.712 403 HA GLU 56 HA GLU 56 3.092 -14.570 10.313 404 1HB GLU 56 1HB GLU 56 3.969 -14.496 12.925 405 2HB GLU 56 2HB GLU 56 2.432 -13.671 13.096 406 1HG GLU 56 1HG GLU 56 2.161 -16.087 13.538 407 2HG GLU 56 2HG GLU 56 1.214 -15.630 12.132 408 H GLU 57 H GLU 57 3.270 -11.280 11.556 409 HA GLU 57 HA GLU 57 0.392 -10.589 11.314 410 1HB GLU 57 1HB GLU 57 1.069 -8.247 11.660 411 2HB GLU 57 2HB GLU 57 2.758 -8.646 11.417 412 1HG GLU 57 1HG GLU 57 2.485 -10.260 13.504 413 2HG GLU 57 2HG GLU 57 2.630 -8.529 13.760 414 H LEU 58 H LEU 58 3.265 -10.352 9.267 415 HA LEU 58 HA LEU 58 2.253 -8.695 7.079 416 1HB LEU 58 1HB LEU 58 4.605 -9.077 7.109 417 2HB LEU 58 2HB LEU 58 4.440 -10.812 7.273 418 HG LEU 58 HG LEU 58 3.552 -9.370 4.708 419 1HD1 LEU 58 1HD1 LEU 58 4.480 -12.285 5.100 420 2HD1 LEU 58 2HD1 LEU 58 2.781 -11.789 5.128 421 3HD1 LEU 58 3HD1 LEU 58 3.740 -11.572 3.644 422 1HD2 LEU 58 1HD2 LEU 58 5.767 -9.796 3.700 423 2HD2 LEU 58 2HD2 LEU 58 6.006 -8.839 5.182 424 3HD2 LEU 58 3HD2 LEU 58 6.351 -10.578 5.190 425 H ASP 59 H ASP 59 1.962 -12.112 7.889 426 HA ASP 59 HA ASP 59 0.789 -13.067 5.374 427 1HB ASP 59 1HB ASP 59 0.627 -14.316 8.176 428 2HB ASP 59 2HB ASP 59 0.013 -15.076 6.727 429 H ALA 60 H ALA 60 -0.547 -11.748 8.369 430 HA ALA 60 HA ALA 60 -3.364 -12.387 7.976 431 1HB ALA 60 1HB ALA 60 -3.810 -10.667 9.722 432 2HB ALA 60 2HB ALA 60 -2.460 -11.723 10.182 433 3HB ALA 60 3HB ALA 60 -2.138 -10.068 9.604 434 H ILE 61 H ILE 61 -1.554 -9.355 7.353 435 HA ILE 61 HA ILE 61 -3.521 -7.688 6.220 436 HB ILE 61 HB ILE 61 -0.551 -7.856 5.812 437 1HG1 ILE 61 1HG1 ILE 61 -2.486 -5.605 6.665 438 2HG1 ILE 61 2HG1 ILE 61 -0.782 -5.328 6.376 439 1HG2 ILE 61 1HG2 ILE 61 -0.520 -6.056 4.066 440 2HG2 ILE 61 2HG2 ILE 61 -1.305 -7.508 3.449 441 3HG2 ILE 61 3HG2 ILE 61 -2.296 -6.117 3.946 442 1HD1 ILE 61 1HD1 ILE 61 -0.100 -6.838 8.220 443 2HD1 ILE 61 2HD1 ILE 61 -1.254 -5.618 8.800 444 3HD1 ILE 61 3HD1 ILE 61 -1.803 -7.286 8.514 445 H ILE 62 H ILE 62 -1.810 -10.445 4.854 446 HA ILE 62 HA ILE 62 -2.654 -10.131 2.033 447 HB ILE 62 HB ILE 62 -0.770 -11.715 3.313 448 1HG1 ILE 62 1HG1 ILE 62 -0.015 -12.337 1.143 449 2HG1 ILE 62 2HG1 ILE 62 -0.861 -10.831 0.858 450 1HG2 ILE 62 1HG2 ILE 62 -1.304 -14.115 2.823 451 2HG2 ILE 62 2HG2 ILE 62 -2.457 -13.454 3.980 452 3HG2 ILE 62 3HG2 ILE 62 -2.939 -13.662 2.281 453 1HD1 ILE 62 1HD1 ILE 62 -2.851 -11.981 -0.069 454 2HD1 ILE 62 2HD1 ILE 62 -1.376 -12.510 -0.904 455 3HD1 ILE 62 3HD1 ILE 62 -2.134 -13.573 0.304 456 H GLU 63 H GLU 63 -3.780 -12.103 4.784 457 HA GLU 63 HA GLU 63 -5.948 -13.544 3.608 458 1HB GLU 63 1HB GLU 63 -5.469 -14.181 5.796 459 2HB GLU 63 2HB GLU 63 -5.463 -12.545 6.422 460 1HG GLU 63 1HG GLU 63 -7.972 -12.443 6.281 461 2HG GLU 63 2HG GLU 63 -8.019 -14.033 5.538 462 H GLU 64 H GLU 64 -5.774 -10.183 4.663 463 HA GLU 64 HA GLU 64 -8.675 -9.590 4.311 464 1HB GLU 64 1HB GLU 64 -6.493 -7.469 4.543 465 2HB GLU 64 2HB GLU 64 -6.974 -8.430 5.927 466 1HG GLU 64 1HG GLU 64 -9.464 -7.591 5.261 467 2HG GLU 64 2HG GLU 64 -8.591 -6.334 4.402 468 H VAL 65 H VAL 65 -5.702 -9.219 2.456 469 HA VAL 65 HA VAL 65 -7.159 -7.864 0.148 470 HB VAL 65 HB VAL 65 -4.145 -8.296 0.243 471 1HG1 VAL 65 1HG1 VAL 65 -4.091 -6.308 -1.274 472 2HG1 VAL 65 2HG1 VAL 65 -5.101 -7.596 -1.958 473 3HG1 VAL 65 3HG1 VAL 65 -5.866 -6.174 -1.209 474 1HG2 VAL 65 1HG2 VAL 65 -5.618 -5.868 1.479 475 2HG2 VAL 65 2HG2 VAL 65 -4.659 -7.079 2.364 476 3HG2 VAL 65 3HG2 VAL 65 -3.862 -5.997 1.214 477 H ASP 66 H ASP 66 -7.677 -10.584 0.861 478 HA ASP 66 HA ASP 66 -7.161 -11.890 -1.800 479 1HB ASP 66 1HB ASP 66 -5.235 -12.568 -0.094 480 2HB ASP 66 2HB ASP 66 -6.448 -13.610 0.612 481 H GLU 67 H GLU 67 -9.374 -10.735 -0.507 482 HA GLU 67 HA GLU 67 -11.276 -12.634 0.678 483 1HB GLU 67 1HB GLU 67 -11.400 -9.954 0.229 484 2HB GLU 67 2HB GLU 67 -12.367 -10.484 -1.133 485 1HG GLU 67 1HG GLU 67 -13.940 -10.055 0.622 486 2HG GLU 67 2HG GLU 67 -13.847 -11.806 0.530 487 H ASP 68 H ASP 68 -11.539 -11.318 -2.625 488 HA ASP 68 HA ASP 68 -12.550 -14.015 -3.623 489 1HB ASP 68 1HB ASP 68 -14.203 -12.416 -4.123 490 2HB ASP 68 2HB ASP 68 -13.055 -11.165 -4.537 491 H GLY 69 H GLY 69 -11.082 -11.415 -5.530 492 1HA GLY 69 1HA GLY 69 -9.633 -12.770 -7.473 493 2HA GLY 69 2HA GLY 69 -8.565 -13.021 -6.088 494 H SER 70 H SER 70 -7.054 -11.593 -5.753 495 HA SER 70 HA SER 70 -6.813 -9.024 -7.272 496 1HB SER 70 1HB SER 70 -8.480 -8.378 -5.530 497 2HB SER 70 2HB SER 70 -7.344 -8.826 -4.254 498 HG SER 70 HG SER 70 -6.986 -6.860 -6.269 499 H GLY 71 H GLY 71 -4.842 -9.904 -7.878 500 1HA GLY 71 1HA GLY 71 -2.627 -11.058 -7.402 501 2HA GLY 71 2HA GLY 71 -2.743 -10.487 -5.734 502 H THR 72 H THR 72 -3.570 -7.819 -6.317 503 HA THR 72 HA THR 72 -0.936 -6.572 -7.064 504 HB THR 72 HB THR 72 -1.806 -5.017 -8.731 505 HG1 THR 72 HG1 THR 72 -3.812 -5.129 -9.468 506 1HG2 THR 72 1HG2 THR 72 -0.816 -7.028 -9.758 507 2HG2 THR 72 2HG2 THR 72 -2.338 -7.931 -9.588 508 3HG2 THR 72 3HG2 THR 72 -2.241 -6.542 -10.702 509 H ILE 73 H ILE 73 -0.704 -4.470 -6.287 510 HA ILE 73 HA ILE 73 -2.953 -3.268 -4.683 511 HB ILE 73 HB ILE 73 -1.397 -4.755 -3.204 512 1HG1 ILE 73 1HG1 ILE 73 -3.276 -2.944 -2.613 513 2HG1 ILE 73 2HG1 ILE 73 -1.919 -2.005 -2.018 514 1HG2 ILE 73 1HG2 ILE 73 0.536 -3.679 -2.111 515 2HG2 ILE 73 2HG2 ILE 73 0.829 -3.744 -3.855 516 3HG2 ILE 73 3HG2 ILE 73 0.346 -2.209 -3.094 517 1HD1 ILE 73 1HD1 ILE 73 -2.510 -3.111 -0.041 518 2HD1 ILE 73 2HD1 ILE 73 -3.044 -4.578 -0.888 519 3HD1 ILE 73 3HD1 ILE 73 -1.305 -4.272 -0.663 520 H ASP 74 H ASP 74 -2.295 -1.005 -3.927 521 HA ASP 74 HA ASP 74 -0.598 0.410 -6.037 522 1HB ASP 74 1HB ASP 74 -2.538 2.197 -6.111 523 2HB ASP 74 2HB ASP 74 -2.575 0.785 -7.141 524 H PHE 75 H PHE 75 -0.691 2.891 -5.438 525 HA PHE 75 HA PHE 75 0.668 3.060 -2.777 526 1HB PHE 75 1HB PHE 75 0.192 5.308 -4.821 527 2HB PHE 75 2HB PHE 75 1.510 4.171 -4.933 528 HD1 PHE 75 HD1 PHE 75 2.394 3.985 -2.009 529 HD2 PHE 75 HD2 PHE 75 1.110 7.413 -4.271 530 HE1 PHE 75 HE1 PHE 75 3.913 5.423 -0.712 531 HE2 PHE 75 HE2 PHE 75 2.642 8.833 -2.967 532 HZ PHE 75 HZ PHE 75 4.003 7.853 -1.155 533 H GLU 76 H GLU 76 -2.442 3.841 -4.160 534 HA GLU 76 HA GLU 76 -3.391 5.775 -2.153 535 1HB GLU 76 1HB GLU 76 -4.846 5.996 -3.839 536 2HB GLU 76 2HB GLU 76 -4.514 4.403 -4.488 537 1HG GLU 76 1HG GLU 76 -6.096 3.593 -2.421 538 2HG GLU 76 2HG GLU 76 -6.740 4.074 -3.981 539 H GLU 77 H GLU 77 -4.137 2.311 -2.632 540 HA GLU 77 HA GLU 77 -5.370 1.786 -0.014 541 1HB GLU 77 1HB GLU 77 -4.596 -0.680 -0.532 542 2HB GLU 77 2HB GLU 77 -4.119 -0.052 -2.096 543 1HG GLU 77 1HG GLU 77 -6.979 0.304 -1.001 544 2HG GLU 77 2HG GLU 77 -6.434 0.597 -2.644 545 H PHE 78 H PHE 78 -2.064 1.916 -1.193 546 HA PHE 78 HA PHE 78 -0.621 0.598 0.934 547 1HB PHE 78 1HB PHE 78 0.215 2.903 -0.910 548 2HB PHE 78 2HB PHE 78 0.490 1.199 -1.153 549 HD1 PHE 78 HD1 PHE 78 1.112 3.203 2.037 550 HD2 PHE 78 HD2 PHE 78 2.868 1.104 -1.283 551 HE1 PHE 78 HE1 PHE 78 3.321 3.308 3.122 552 HE2 PHE 78 HE2 PHE 78 5.092 1.387 -0.271 553 HZ PHE 78 HZ PHE 78 5.319 2.442 1.952 554 H LEU 79 H LEU 79 -1.685 3.986 0.609 555 HA LEU 79 HA LEU 79 -0.582 4.976 3.184 556 1HB LEU 79 1HB LEU 79 -2.993 6.237 1.792 557 2HB LEU 79 2HB LEU 79 -1.790 7.005 2.805 558 HG LEU 79 HG LEU 79 -1.714 6.392 -0.138 559 1HD1 LEU 79 1HD1 LEU 79 -0.441 8.542 -0.208 560 2HD1 LEU 79 2HD1 LEU 79 -1.936 8.731 0.726 561 3HD1 LEU 79 3HD1 LEU 79 -0.375 8.592 1.572 562 1HD2 LEU 79 1HD2 LEU 79 0.893 6.219 1.520 563 2HD2 LEU 79 2HD2 LEU 79 0.164 4.901 0.570 564 3HD2 LEU 79 3HD2 LEU 79 0.801 6.331 -0.256 565 H VAL 80 H VAL 80 -3.556 3.432 2.113 566 HA VAL 80 HA VAL 80 -5.269 4.027 4.400 567 HB VAL 80 HB VAL 80 -5.409 1.939 2.210 568 1HG1 VAL 80 1HG1 VAL 80 -7.484 4.059 3.044 569 2HG1 VAL 80 2HG1 VAL 80 -6.200 4.376 1.869 570 3HG1 VAL 80 3HG1 VAL 80 -7.419 3.127 1.526 571 1HG2 VAL 80 1HG2 VAL 80 -7.495 0.969 3.056 572 2HG2 VAL 80 2HG2 VAL 80 -6.272 0.763 4.332 573 3HG2 VAL 80 3HG2 VAL 80 -7.494 2.035 4.482 574 H MET 81 H MET 81 -2.874 1.528 3.732 575 HA MET 81 HA MET 81 -3.504 -0.292 5.962 576 1HB MET 81 1HB MET 81 -1.363 -1.411 5.477 577 2HB MET 81 2HB MET 81 -0.805 -0.049 4.521 578 1HG MET 81 1HG MET 81 -3.187 -0.691 3.181 579 2HG MET 81 2HG MET 81 -1.564 -1.221 2.712 580 1HE MET 81 1HE MET 81 -4.682 -2.374 5.217 581 2HE MET 81 2HE MET 81 -5.006 -2.152 3.473 582 3HE MET 81 3HE MET 81 -5.019 -3.794 4.178 583 H MET 82 H MET 82 -0.972 2.185 5.488 584 HA MET 82 HA MET 82 0.378 1.876 8.052 585 1HB MET 82 1HB MET 82 1.469 4.044 7.617 586 2HB MET 82 2HB MET 82 0.271 4.467 6.408 587 1HG MET 82 1HG MET 82 1.262 2.044 5.367 588 2HG MET 82 2HG MET 82 1.767 3.668 4.874 589 1HE MET 82 1HE MET 82 4.884 4.412 7.139 590 2HE MET 82 2HE MET 82 3.389 5.098 6.437 591 3HE MET 82 3HE MET 82 3.363 4.406 8.085 592 H VAL 83 H VAL 83 -2.297 3.954 7.004 593 HA VAL 83 HA VAL 83 -2.601 5.550 9.435 594 HB VAL 83 HB VAL 83 -4.387 5.003 7.065 595 1HG1 VAL 83 1HG1 VAL 83 -3.578 7.683 8.356 596 2HG1 VAL 83 2HG1 VAL 83 -2.610 6.875 7.115 597 3HG1 VAL 83 3HG1 VAL 83 -4.261 7.414 6.732 598 1HG2 VAL 83 1HG2 VAL 83 -6.309 6.220 7.950 599 2HG2 VAL 83 2HG2 VAL 83 -5.969 4.913 9.108 600 3HG2 VAL 83 3HG2 VAL 83 -5.479 6.570 9.488 601 NH1 ARG 84 NH1 ARG 84 -10.119 -0.849 9.302 602 NH2 ARG 84 NH2 ARG 84 -9.795 -1.574 7.174 603 H ARG 84 H ARG 84 -3.990 2.459 8.358 604 HA ARG 84 HA ARG 84 -5.881 1.830 10.420 605 1HB ARG 84 1HB ARG 84 -4.671 0.395 8.294 606 2HB ARG 84 2HB ARG 84 -4.203 -0.511 9.726 607 1HG ARG 84 1HG ARG 84 -6.377 -1.284 8.646 608 2HG ARG 84 2HG ARG 84 -6.469 -0.974 10.381 609 1HD ARG 84 1HD ARG 84 -8.096 0.610 10.105 610 2HD ARG 84 2HD ARG 84 -7.111 1.519 8.961 611 HE ARG 84 HE ARG 84 -8.265 0.447 7.114 612 1HH1 ARG 84 1HH1 ARG 84 -10.562 -2.229 7.365 613 2HH1 ARG 84 2HH1 ARG 84 -9.294 -1.456 6.287 614 1HH2 ARG 84 1HH2 ARG 84 -9.753 -0.317 10.100 615 2HH2 ARG 84 2HH2 ARG 84 -10.975 -1.415 9.281 616 H GLN 85 H GLN 85 -2.382 1.039 10.386 617 HA GLN 85 HA GLN 85 -2.359 -0.148 13.108 618 1HB GLN 85 1HB GLN 85 0.289 0.757 12.096 619 2HB GLN 85 2HB GLN 85 -0.613 -0.146 10.892 620 1HG GLN 85 1HG GLN 85 -0.684 -2.142 12.197 621 2HG GLN 85 2HG GLN 85 -0.388 -1.309 13.709 622 1HE2 GLN 85 1HE2 GLN 85 2.858 -2.936 12.913 623 2HE2 GLN 85 2HE2 GLN 85 1.196 -3.282 13.609 624 H MET 86 H MET 86 -1.801 3.038 11.750 625 HA MET 86 HA MET 86 -0.210 4.266 13.877 626 1HB MET 86 1HB MET 86 -1.987 6.217 12.558 627 2HB MET 86 2HB MET 86 -1.286 5.123 11.380 628 1HG MET 86 1HG MET 86 0.494 6.571 11.385 629 2HG MET 86 2HG MET 86 0.986 5.742 12.870 630 1HE MET 86 1HE MET 86 1.539 8.498 11.627 631 2HE MET 86 2HE MET 86 0.727 9.921 12.344 632 3HE MET 86 3HE MET 86 2.038 9.099 13.239 633 H LYS 87 H LYS 87 -3.696 3.949 13.329 634 HA LYS 87 HA LYS 87 -4.673 5.641 15.534 635 1HB LYS 87 1HB LYS 87 -5.911 4.205 13.472 636 2HB LYS 87 2HB LYS 87 -6.377 3.263 14.873 637 1HG LYS 87 1HG LYS 87 -7.734 4.942 15.747 638 2HG LYS 87 2HG LYS 87 -7.908 5.237 14.029 639 1HD LYS 87 1HD LYS 87 -6.128 6.835 15.984 640 2HD LYS 87 2HD LYS 87 -6.065 7.032 14.240 641 1HE LYS 87 1HE LYS 87 -7.594 8.658 15.688 642 2HE LYS 87 2HE LYS 87 -8.141 8.128 14.096 643 1HZ LYS 87 1HZ LYS 87 -9.594 6.551 15.100 644 2HZ LYS 87 2HZ LYS 87 -8.905 6.698 16.594 645 3HZ LYS 87 3HZ LYS 87 -9.793 7.943 15.968 646 H GLU 88 H GLU 88 -4.177 2.104 15.249 647 HA GLU 88 HA GLU 88 -3.580 0.437 16.879 648 1HB GLU 88 1HB GLU 88 -2.036 2.397 17.649 649 2HB GLU 88 2HB GLU 88 -3.199 2.664 18.932 650 1HG GLU 88 1HG GLU 88 -1.297 1.279 19.726 651 2HG GLU 88 2HG GLU 88 -2.804 0.389 19.855 652 H ASP 89 H ASP 89 -4.415 -0.468 18.948 653 HA ASP 89 HA ASP 89 -6.285 -1.320 20.182 654 1HB ASP 89 1HB ASP 89 -7.421 1.511 20.328 655 2HB ASP 89 2HB ASP 89 -7.605 0.194 21.464 656 H ALA 90 H ALA 90 -7.133 -2.534 18.565 657 HA ALA 90 HA ALA 90 -8.922 -1.449 16.412 658 1HB ALA 90 1HB ALA 90 -9.327 -4.117 16.143 659 2HB ALA 90 2HB ALA 90 -7.838 -3.349 15.558 660 3HB ALA 90 3HB ALA 90 -7.836 -4.218 17.112 Start of MODEL 39 Raw file had 660 H/Q atoms Start of MODEL 39 1 1H ALA 1 1H ALA 1 -22.971 9.489 10.802 2 2H ALA 1 2H ALA 1 -23.644 8.456 9.659 3 3H ALA 1 3H ALA 1 -23.037 7.835 11.099 4 HA ALA 1 HA ALA 1 -21.318 9.355 9.267 5 1HB ALA 1 1HB ALA 1 -20.885 7.355 11.552 6 2HB ALA 1 2HB ALA 1 -19.593 7.688 10.383 7 3HB ALA 1 3HB ALA 1 -20.242 9.007 11.391 8 H SER 2 H SER 2 -20.172 8.187 7.676 9 HA SER 2 HA SER 2 -21.071 5.363 6.943 10 1HB SER 2 1HB SER 2 -22.492 6.150 5.385 11 2HB SER 2 2HB SER 2 -21.893 7.806 5.519 12 HG SER 2 HG SER 2 -21.387 7.147 3.530 13 H MET 3 H MET 3 -19.357 4.187 6.516 14 HA MET 3 HA MET 3 -16.694 5.494 5.724 15 1HB MET 3 1HB MET 3 -15.778 3.121 6.517 16 2HB MET 3 2HB MET 3 -17.298 3.010 7.383 17 1HG MET 3 1HG MET 3 -15.200 5.245 7.756 18 2HG MET 3 2HG MET 3 -15.484 3.882 8.850 19 1HE MET 3 1HE MET 3 -16.426 6.089 11.176 20 2HE MET 3 2HE MET 3 -15.216 6.393 9.894 21 3HE MET 3 3HE MET 3 -16.583 7.524 10.115 22 H THR 4 H THR 4 -18.637 5.177 3.825 23 HA THR 4 HA THR 4 -18.062 2.729 2.170 24 HB THR 4 HB THR 4 -19.522 3.823 0.428 25 HG1 THR 4 HG1 THR 4 -19.556 5.881 0.774 26 1HG2 THR 4 1HG2 THR 4 -21.689 3.513 1.564 27 2HG2 THR 4 2HG2 THR 4 -20.588 2.205 2.049 28 3HG2 THR 4 3HG2 THR 4 -20.927 3.550 3.169 29 H ASP 5 H ASP 5 -16.078 5.044 2.944 30 HA ASP 5 HA ASP 5 -14.334 4.831 0.591 31 1HB ASP 5 1HB ASP 5 -16.367 6.742 0.159 32 2HB ASP 5 2HB ASP 5 -15.015 7.719 0.684 33 H GLN 6 H GLN 6 -14.182 4.438 3.340 34 HA GLN 6 HA GLN 6 -12.971 6.547 4.969 35 1HB GLN 6 1HB GLN 6 -12.897 4.938 6.536 36 2HB GLN 6 2HB GLN 6 -13.609 3.851 5.357 37 1HG GLN 6 1HG GLN 6 -11.477 2.882 4.751 38 2HG GLN 6 2HG GLN 6 -10.561 4.170 5.507 39 1HE2 GLN 6 1HE2 GLN 6 -12.315 1.338 8.034 40 2HE2 GLN 6 2HE2 GLN 6 -13.173 1.873 6.502 41 H GLN 7 H GLN 7 -11.754 4.508 2.383 42 HA GLN 7 HA GLN 7 -8.935 4.535 2.572 43 1HB GLN 7 1HB GLN 7 -8.782 4.277 0.220 44 2HB GLN 7 2HB GLN 7 -10.328 3.577 0.664 45 1HG GLN 7 1HG GLN 7 -11.438 5.822 -0.031 46 2HG GLN 7 2HG GLN 7 -9.887 6.305 -0.688 47 1HE2 GLN 7 1HE2 GLN 7 -12.174 3.489 -2.693 48 2HE2 GLN 7 2HE2 GLN 7 -12.423 3.789 -0.900 49 H ALA 8 H ALA 8 -11.025 7.194 1.423 50 HA ALA 8 HA ALA 8 -8.945 9.075 0.642 51 1HB ALA 8 1HB ALA 8 -11.709 9.936 1.639 52 2HB ALA 8 2HB ALA 8 -10.687 10.705 0.410 53 3HB ALA 8 3HB ALA 8 -11.480 9.149 0.059 54 H GLU 9 H GLU 9 -10.712 8.609 3.693 55 HA GLU 9 HA GLU 9 -9.913 10.802 5.299 56 1HB GLU 9 1HB GLU 9 -11.439 8.841 5.954 57 2HB GLU 9 2HB GLU 9 -9.998 7.947 6.396 58 1HG GLU 9 1HG GLU 9 -9.424 9.897 8.034 59 2HG GLU 9 2HG GLU 9 -11.013 10.556 7.685 60 H ALA 10 H ALA 10 -8.026 8.003 4.297 61 HA ALA 10 HA ALA 10 -5.795 8.051 6.099 62 1HB ALA 10 1HB ALA 10 -4.509 6.868 4.325 63 2HB ALA 10 2HB ALA 10 -6.153 6.219 4.475 64 3HB ALA 10 3HB ALA 10 -5.740 7.288 3.110 65 NH1 ARG 11 NH1 ARG 11 -5.952 13.636 -2.768 66 NH2 ARG 11 NH2 ARG 11 -3.796 13.812 -2.076 67 H ARG 11 H ARG 11 -6.070 9.651 2.908 68 HA ARG 11 HA ARG 11 -3.444 11.054 3.039 69 1HB ARG 11 1HB ARG 11 -4.319 12.308 0.992 70 2HB ARG 11 2HB ARG 11 -4.181 10.562 0.849 71 1HG ARG 11 1HG ARG 11 -6.559 10.199 0.972 72 2HG ARG 11 2HG ARG 11 -6.876 11.819 1.597 73 1HD ARG 11 1HD ARG 11 -7.111 12.659 -0.515 74 2HD ARG 11 2HD ARG 11 -6.977 11.015 -1.138 75 HE ARG 11 HE ARG 11 -4.321 11.555 -1.050 76 1HH1 ARG 11 1HH1 ARG 11 -3.754 14.643 -2.675 77 2HH1 ARG 11 2HH1 ARG 11 -3.026 13.406 -1.532 78 1HH2 ARG 11 1HH2 ARG 11 -6.870 13.197 -2.640 79 2HH2 ARG 11 2HH2 ARG 11 -5.713 14.380 -3.434 80 H ALA 12 H ALA 12 -6.803 11.812 3.781 81 HA ALA 12 HA ALA 12 -6.724 14.681 4.098 82 1HB ALA 12 1HB ALA 12 -8.700 14.446 5.587 83 2HB ALA 12 2HB ALA 12 -8.845 13.398 4.162 84 3HB ALA 12 3HB ALA 12 -8.418 12.695 5.743 85 H PHE 13 H PHE 13 -5.435 12.136 6.131 86 HA PHE 13 HA PHE 13 -5.241 13.665 8.663 87 1HB PHE 13 1HB PHE 13 -5.335 11.120 8.479 88 2HB PHE 13 2HB PHE 13 -3.702 11.121 7.867 89 HD1 PHE 13 HD1 PHE 13 -5.711 10.949 10.826 90 HD2 PHE 13 HD2 PHE 13 -1.891 12.390 9.463 91 HE1 PHE 13 HE1 PHE 13 -4.871 10.945 13.139 92 HE2 PHE 13 HE2 PHE 13 -1.070 12.377 11.781 93 HZ PHE 13 HZ PHE 13 -2.560 11.674 13.624 94 H LEU 14 H LEU 14 -2.707 12.397 6.475 95 HA LEU 14 HA LEU 14 -0.627 14.277 7.542 96 1HB LEU 14 1HB LEU 14 0.790 13.129 5.642 97 2HB LEU 14 2HB LEU 14 0.380 12.247 7.098 98 HG LEU 14 HG LEU 14 -1.308 10.911 5.971 99 1HD1 LEU 14 1HD1 LEU 14 -2.018 11.270 3.601 100 2HD1 LEU 14 2HD1 LEU 14 -2.395 12.692 4.591 101 3HD1 LEU 14 3HD1 LEU 14 -0.997 12.726 3.487 102 1HD2 LEU 14 1HD2 LEU 14 1.129 11.183 4.084 103 2HD2 LEU 14 2HD2 LEU 14 1.027 10.138 5.522 104 3HD2 LEU 14 3HD2 LEU 14 -0.006 9.811 4.122 105 H SER 15 H SER 15 0.731 15.486 5.945 106 HA SER 15 HA SER 15 -1.004 17.216 4.158 107 1HB SER 15 1HB SER 15 0.889 17.964 5.933 108 2HB SER 15 2HB SER 15 1.943 17.791 4.528 109 HG SER 15 HG SER 15 -0.296 19.451 4.901 110 H GLU 16 H GLU 16 0.466 18.033 2.183 111 HA GLU 16 HA GLU 16 0.661 15.758 0.272 112 1HB GLU 16 1HB GLU 16 0.892 18.752 0.067 113 2HB GLU 16 2HB GLU 16 1.743 17.824 -1.151 114 1HG GLU 16 1HG GLU 16 -1.239 17.329 -0.557 115 2HG GLU 16 2HG GLU 16 -0.714 18.604 -1.645 116 H GLU 17 H GLU 17 2.855 17.789 2.111 117 HA GLU 17 HA GLU 17 5.381 17.231 0.763 118 1HB GLU 17 1HB GLU 17 4.792 18.095 3.618 119 2HB GLU 17 2HB GLU 17 6.423 17.645 3.163 120 1HG GLU 17 1HG GLU 17 4.916 19.733 1.493 121 2HG GLU 17 2HG GLU 17 6.650 19.487 1.625 122 H MET 18 H MET 18 3.815 15.617 3.536 123 HA MET 18 HA MET 18 5.852 13.634 4.142 124 1HB MET 18 1HB MET 18 2.814 13.431 4.576 125 2HB MET 18 2HB MET 18 3.977 14.129 5.688 126 1HG MET 18 1HG MET 18 3.339 11.238 5.183 127 2HG MET 18 2HG MET 18 5.066 11.577 5.374 128 1HE MET 18 1HE MET 18 5.072 10.040 7.116 129 2HE MET 18 2HE MET 18 5.666 10.997 8.504 130 3HE MET 18 3HE MET 18 4.142 10.074 8.647 131 H ILE 19 H ILE 19 3.143 13.651 1.863 132 HA ILE 19 HA ILE 19 3.190 10.835 1.028 133 HB ILE 19 HB ILE 19 2.250 13.242 -0.616 134 1HG1 ILE 19 1HG1 ILE 19 0.926 11.710 1.635 135 2HG1 ILE 19 2HG1 ILE 19 0.731 13.380 1.150 136 1HG2 ILE 19 1HG2 ILE 19 0.918 11.591 -1.948 137 2HG2 ILE 19 2HG2 ILE 19 2.637 11.215 -2.053 138 3HG2 ILE 19 3HG2 ILE 19 1.589 10.245 -0.993 139 1HD1 ILE 19 1HD1 ILE 19 -0.610 11.004 -0.268 140 2HD1 ILE 19 2HD1 ILE 19 -1.376 12.232 0.760 141 3HD1 ILE 19 3HD1 ILE 19 -0.700 12.700 -0.817 142 H ALA 20 H ALA 20 4.847 13.771 -0.099 143 HA ALA 20 HA ALA 20 6.130 12.887 -2.485 144 1HB ALA 20 1HB ALA 20 6.170 15.222 -1.148 145 2HB ALA 20 2HB ALA 20 7.759 14.637 -0.619 146 3HB ALA 20 3HB ALA 20 7.415 14.830 -2.357 147 H GLU 21 H GLU 21 7.034 12.327 0.890 148 HA GLU 21 HA GLU 21 9.700 11.115 0.336 149 1HB GLU 21 1HB GLU 21 9.169 12.337 2.462 150 2HB GLU 21 2HB GLU 21 8.067 11.057 2.929 151 1HG GLU 21 1HG GLU 21 9.912 9.427 3.140 152 2HG GLU 21 2HG GLU 21 11.055 10.529 2.392 153 H PHE 22 H PHE 22 6.422 9.977 1.030 154 HA PHE 22 HA PHE 22 6.916 7.137 1.446 155 1HB PHE 22 1HB PHE 22 4.437 8.597 0.379 156 2HB PHE 22 2HB PHE 22 4.465 6.866 0.582 157 HD1 PHE 22 HD1 PHE 22 6.293 9.148 2.951 158 HD2 PHE 22 HD2 PHE 22 2.748 6.786 2.332 159 HE1 PHE 22 HE1 PHE 22 5.609 9.546 5.279 160 HE2 PHE 22 HE2 PHE 22 2.105 7.157 4.678 161 HZ PHE 22 HZ PHE 22 3.548 8.505 6.163 162 H LYS 23 H LYS 23 6.593 9.129 -1.435 163 HA LYS 23 HA LYS 23 6.298 7.133 -3.515 164 1HB LYS 23 1HB LYS 23 7.904 9.732 -3.845 165 2HB LYS 23 2HB LYS 23 7.146 8.797 -5.116 166 1HG LYS 23 1HG LYS 23 4.990 9.416 -3.368 167 2HG LYS 23 2HG LYS 23 5.993 10.851 -3.300 168 1HD LYS 23 1HD LYS 23 4.651 9.622 -5.785 169 2HD LYS 23 2HD LYS 23 5.971 10.771 -5.933 170 1HE LYS 23 1HE LYS 23 3.424 11.431 -4.339 171 2HE LYS 23 2HE LYS 23 4.701 12.559 -4.797 172 1HZ LYS 23 1HZ LYS 23 2.595 11.372 -6.467 173 2HZ LYS 23 2HZ LYS 23 3.170 12.921 -6.442 174 3HZ LYS 23 3HZ LYS 23 4.029 11.733 -7.204 175 H ALA 24 H ALA 24 9.250 8.624 -2.151 176 HA ALA 24 HA ALA 24 11.292 7.448 -3.742 177 1HB ALA 24 1HB ALA 24 12.840 7.802 -1.827 178 2HB ALA 24 2HB ALA 24 11.755 9.189 -2.038 179 3HB ALA 24 3HB ALA 24 11.467 8.028 -0.716 180 H ALA 25 H ALA 25 9.716 6.086 -0.848 181 HA ALA 25 HA ALA 25 11.397 3.660 -0.641 182 1HB ALA 25 1HB ALA 25 9.753 2.919 1.075 183 2HB ALA 25 2HB ALA 25 10.249 4.601 1.343 184 3HB ALA 25 3HB ALA 25 8.651 4.247 0.638 185 H PHE 26 H PHE 26 8.237 4.418 -2.057 186 HA PHE 26 HA PHE 26 7.336 1.685 -2.649 187 1HB PHE 26 1HB PHE 26 6.490 4.239 -4.138 188 2HB PHE 26 2HB PHE 26 5.894 3.824 -2.552 189 HD1 PHE 26 HD1 PHE 26 4.925 1.212 -2.431 190 HD2 PHE 26 HD2 PHE 26 5.191 3.599 -6.001 191 HE1 PHE 26 HE1 PHE 26 3.176 -0.158 -3.492 192 HE2 PHE 26 HE2 PHE 26 3.413 2.243 -7.029 193 HZ PHE 26 HZ PHE 26 2.424 0.347 -5.792 194 H ASP 27 H ASP 27 9.454 3.976 -4.257 195 HA ASP 27 HA ASP 27 9.458 2.691 -6.931 196 1HB ASP 27 1HB ASP 27 11.104 4.921 -5.676 197 2HB ASP 27 2HB ASP 27 9.979 4.987 -7.012 198 H MET 28 H MET 28 11.331 2.412 -3.977 199 HA MET 28 HA MET 28 13.765 1.170 -4.818 200 1HB MET 28 1HB MET 28 12.152 0.753 -2.257 201 2HB MET 28 2HB MET 28 13.598 -0.191 -2.561 202 1HG MET 28 1HG MET 28 13.569 2.895 -2.543 203 2HG MET 28 2HG MET 28 13.989 1.886 -1.149 204 1HE MET 28 1HE MET 28 17.406 0.545 -1.661 205 2HE MET 28 2HE MET 28 16.879 2.005 -0.773 206 3HE MET 28 3HE MET 28 15.854 0.540 -0.767 207 H PHE 29 H PHE 29 10.568 -0.286 -4.305 208 HA PHE 29 HA PHE 29 11.548 -3.050 -5.152 209 1HB PHE 29 1HB PHE 29 9.177 -3.796 -4.517 210 2HB PHE 29 2HB PHE 29 8.831 -2.168 -4.004 211 HD1 PHE 29 HD1 PHE 29 8.315 -2.837 -1.698 212 HD2 PHE 29 HD2 PHE 29 12.216 -3.625 -3.341 213 HE1 PHE 29 HE1 PHE 29 9.192 -3.272 0.560 214 HE2 PHE 29 HE2 PHE 29 13.069 -4.060 -1.074 215 HZ PHE 29 HZ PHE 29 11.565 -3.887 0.875 216 H ASP 30 H ASP 30 9.415 -0.400 -6.085 217 HA ASP 30 HA ASP 30 8.061 -1.830 -8.318 218 1HB ASP 30 1HB ASP 30 6.871 -0.010 -7.156 219 2HB ASP 30 2HB ASP 30 8.096 1.153 -7.608 220 H ALA 31 H ALA 31 8.269 -1.270 -10.550 221 HA ALA 31 HA ALA 31 11.100 -0.918 -11.495 222 1HB ALA 31 1HB ALA 31 10.166 -1.424 -13.756 223 2HB ALA 31 2HB ALA 31 9.671 -2.633 -12.555 224 3HB ALA 31 3HB ALA 31 8.508 -1.401 -13.109 225 H ASP 32 H ASP 32 11.044 0.439 -13.724 226 HA ASP 32 HA ASP 32 10.518 3.321 -12.952 227 1HB ASP 32 1HB ASP 32 12.487 2.007 -14.663 228 2HB ASP 32 2HB ASP 32 12.491 3.612 -13.969 229 H GLY 33 H GLY 33 8.537 3.997 -13.274 230 1HA GLY 33 1HA GLY 33 6.463 4.586 -14.428 231 2HA GLY 33 2HA GLY 33 7.129 3.868 -15.898 232 H GLY 34 H GLY 34 6.035 2.836 -12.653 233 1HA GLY 34 1HA GLY 34 4.679 0.372 -13.903 234 2HA GLY 34 2HA GLY 34 5.379 0.363 -12.281 235 H GLY 35 H GLY 35 4.347 1.374 -10.585 236 1HA GLY 35 1HA GLY 35 1.405 2.165 -11.027 237 2HA GLY 35 2HA GLY 35 2.432 3.046 -9.892 238 H ASP 36 H ASP 36 2.429 -0.447 -10.448 239 HA ASP 36 HA ASP 36 1.472 -0.934 -7.578 240 1HB ASP 36 1HB ASP 36 0.036 -2.729 -8.212 241 2HB ASP 36 2HB ASP 36 -0.367 -1.374 -9.241 242 H ILE 37 H ILE 37 2.069 -3.100 -6.792 243 HA ILE 37 HA ILE 37 4.558 -4.365 -8.006 244 HB ILE 37 HB ILE 37 5.396 -4.387 -5.425 245 1HG1 ILE 37 1HG1 ILE 37 4.796 -1.433 -5.522 246 2HG1 ILE 37 2HG1 ILE 37 3.401 -2.431 -5.172 247 1HG2 ILE 37 1HG2 ILE 37 7.140 -2.743 -6.128 248 2HG2 ILE 37 2HG2 ILE 37 6.764 -3.841 -7.463 249 3HG2 ILE 37 3HG2 ILE 37 6.120 -2.182 -7.475 250 1HD1 ILE 37 1HD1 ILE 37 5.980 -2.421 -3.499 251 2HD1 ILE 37 2HD1 ILE 37 4.393 -1.753 -3.058 252 3HD1 ILE 37 3HD1 ILE 37 4.594 -3.512 -3.226 253 H SER 38 H SER 38 5.106 -6.239 -6.241 254 HA SER 38 HA SER 38 2.689 -8.019 -6.134 255 1HB SER 38 1HB SER 38 5.234 -8.634 -6.655 256 2HB SER 38 2HB SER 38 5.352 -8.805 -4.902 257 HG SER 38 HG SER 38 4.641 -10.645 -6.299 258 H THR 39 H THR 39 1.741 -8.811 -4.297 259 HA THR 39 HA THR 39 1.771 -7.041 -1.867 260 HB THR 39 HB THR 39 -0.242 -8.015 -1.170 261 HG1 THR 39 HG1 THR 39 -0.343 -10.053 -3.014 262 1HG2 THR 39 1HG2 THR 39 -1.788 -7.992 -3.078 263 2HG2 THR 39 2HG2 THR 39 -0.577 -6.710 -3.312 264 3HG2 THR 39 3HG2 THR 39 -0.460 -8.231 -4.237 265 H LYS 40 H LYS 40 3.787 -9.414 -2.776 266 HA LYS 40 HA LYS 40 3.920 -11.005 -0.208 267 1HB LYS 40 1HB LYS 40 4.963 -11.325 -2.948 268 2HB LYS 40 2HB LYS 40 6.264 -11.517 -1.791 269 1HG LYS 40 1HG LYS 40 5.571 -13.698 -1.820 270 2HG LYS 40 2HG LYS 40 4.472 -13.154 -0.568 271 1HD LYS 40 1HD LYS 40 3.019 -14.370 -1.984 272 2HD LYS 40 2HD LYS 40 2.751 -12.712 -2.500 273 1HE LYS 40 1HE LYS 40 4.275 -14.906 -3.981 274 2HE LYS 40 2HE LYS 40 4.647 -13.218 -4.336 275 1HZ LYS 40 1HZ LYS 40 2.957 -13.856 -5.821 276 2HZ LYS 40 2HZ LYS 40 2.043 -14.608 -4.668 277 3HZ LYS 40 3HZ LYS 40 2.148 -12.959 -4.694 278 H GLU 41 H GLU 41 5.577 -8.418 -1.938 279 HA GLU 41 HA GLU 41 7.775 -8.195 0.137 280 1HB GLU 41 1HB GLU 41 9.051 -7.014 -1.387 281 2HB GLU 41 2HB GLU 41 7.675 -6.297 -2.203 282 1HG GLU 41 1HG GLU 41 7.310 -8.975 -2.895 283 2HG GLU 41 2HG GLU 41 8.124 -7.777 -3.886 284 H LEU 42 H LEU 42 4.921 -6.527 -1.054 285 HA LEU 42 HA LEU 42 4.974 -3.908 -0.198 286 1HB LEU 42 1HB LEU 42 2.878 -4.232 -0.957 287 2HB LEU 42 2HB LEU 42 2.861 -5.922 -0.505 288 HG LEU 42 HG LEU 42 1.019 -4.446 0.485 289 1HD1 LEU 42 1HD1 LEU 42 3.174 -3.441 2.447 290 2HD1 LEU 42 2HD1 LEU 42 2.551 -2.477 1.100 291 3HD1 LEU 42 3HD1 LEU 42 1.450 -2.991 2.403 292 1HD2 LEU 42 1HD2 LEU 42 0.916 -5.628 2.636 293 2HD2 LEU 42 2HD2 LEU 42 1.636 -6.736 1.442 294 3HD2 LEU 42 3HD2 LEU 42 2.674 -5.925 2.629 295 H GLY 43 H GLY 43 4.069 -6.602 1.983 296 1HA GLY 43 1HA GLY 43 3.865 -5.412 4.532 297 2HA GLY 43 2HA GLY 43 4.629 -6.990 4.316 298 H THR 44 H THR 44 6.945 -6.897 3.501 299 HA THR 44 HA THR 44 8.770 -5.899 5.324 300 HB THR 44 HB THR 44 9.079 -6.641 2.434 301 HG1 THR 44 HG1 THR 44 10.301 -7.399 4.871 302 1HG2 THR 44 1HG2 THR 44 11.551 -6.265 2.469 303 2HG2 THR 44 2HG2 THR 44 10.668 -4.724 2.493 304 3HG2 THR 44 3HG2 THR 44 11.405 -5.351 3.990 305 H VAL 45 H VAL 45 7.446 -4.146 2.560 306 HA VAL 45 HA VAL 45 9.256 -1.862 2.481 307 HB VAL 45 HB VAL 45 7.224 -2.680 0.853 308 1HG1 VAL 45 1HG1 VAL 45 8.285 0.215 0.823 309 2HG1 VAL 45 2HG1 VAL 45 9.242 -1.176 0.296 310 3HG1 VAL 45 3HG1 VAL 45 7.743 -0.762 -0.567 311 1HG2 VAL 45 1HG2 VAL 45 5.418 -1.045 0.698 312 2HG2 VAL 45 2HG2 VAL 45 5.427 -1.622 2.380 313 3HG2 VAL 45 3HG2 VAL 45 6.114 -0.038 1.995 314 H MET 46 H MET 46 6.072 -2.301 4.057 315 HA MET 46 HA MET 46 5.711 0.240 5.316 316 1HB MET 46 1HB MET 46 4.585 -2.453 5.689 317 2HB MET 46 2HB MET 46 4.781 -1.661 7.241 318 1HG MET 46 1HG MET 46 2.824 -1.084 5.075 319 2HG MET 46 2HG MET 46 3.621 0.385 5.660 320 1HE MET 46 1HE MET 46 2.932 -3.027 7.062 321 2HE MET 46 2HE MET 46 2.746 -2.641 8.798 322 3HE MET 46 3HE MET 46 1.297 -2.838 7.769 323 NH1 ARG 47 NH1 ARG 47 11.777 -5.864 11.702 324 NH2 ARG 47 NH2 ARG 47 11.257 -7.850 10.729 325 H ARG 47 H ARG 47 7.813 -2.435 6.213 326 HA ARG 47 HA ARG 47 8.497 -1.443 8.955 327 1HB ARG 47 1HB ARG 47 8.505 -3.902 8.311 328 2HB ARG 47 2HB ARG 47 9.889 -3.600 7.271 329 1HG ARG 47 1HG ARG 47 9.783 -3.746 10.279 330 2HG ARG 47 2HG ARG 47 10.874 -2.524 9.623 331 1HD ARG 47 1HD ARG 47 12.365 -4.309 9.602 332 2HD ARG 47 2HD ARG 47 11.664 -4.570 8.007 333 HE ARG 47 HE ARG 47 10.304 -6.447 8.932 334 1HH1 ARG 47 1HH1 ARG 47 12.002 -6.421 12.534 335 2HH1 ARG 47 2HH1 ARG 47 11.846 -4.845 11.607 336 1HH2 ARG 47 1HH2 ARG 47 10.831 -8.338 9.933 337 2HH2 ARG 47 2HH2 ARG 47 11.615 -8.277 11.591 338 H MET 48 H MET 48 9.894 -1.342 5.716 339 HA MET 48 HA MET 48 12.556 -0.276 6.557 340 1HB MET 48 1HB MET 48 12.524 -1.636 4.558 341 2HB MET 48 2HB MET 48 11.269 -0.666 3.807 342 1HG MET 48 1HG MET 48 12.829 1.236 3.470 343 2HG MET 48 2HG MET 48 14.092 0.421 4.405 344 1HE MET 48 1HE MET 48 15.614 0.974 2.483 345 2HE MET 48 2HE MET 48 16.142 -0.700 2.826 346 3HE MET 48 3HE MET 48 15.900 -0.171 1.135 347 H LEU 49 H LEU 49 9.551 1.147 6.481 348 HA LEU 49 HA LEU 49 10.428 3.919 5.646 349 1HB LEU 49 1HB LEU 49 7.828 3.631 7.102 350 2HB LEU 49 2HB LEU 49 8.221 4.528 5.650 351 HG LEU 49 HG LEU 49 7.850 1.470 5.690 352 1HD1 LEU 49 1HD1 LEU 49 7.855 3.399 3.281 353 2HD1 LEU 49 2HD1 LEU 49 9.243 2.409 3.768 354 3HD1 LEU 49 3HD1 LEU 49 7.740 1.622 3.228 355 1HD2 LEU 49 1HD2 LEU 49 5.573 1.793 4.818 356 2HD2 LEU 49 2HD2 LEU 49 5.707 2.750 6.314 357 3HD2 LEU 49 3HD2 LEU 49 5.787 3.560 4.743 358 H GLY 50 H GLY 50 9.513 2.091 8.560 359 1HA GLY 50 1HA GLY 50 11.242 2.993 10.557 360 2HA GLY 50 2HA GLY 50 10.189 4.403 10.400 361 H GLN 51 H GLN 51 9.507 0.908 10.244 362 HA GLN 51 HA GLN 51 7.944 0.999 12.864 363 1HB GLN 51 1HB GLN 51 6.708 0.651 10.166 364 2HB GLN 51 2HB GLN 51 6.321 -0.645 11.284 365 1HG GLN 51 1HG GLN 51 4.628 0.687 11.994 366 2HG GLN 51 2HG GLN 51 5.843 1.524 12.939 367 1HE2 GLN 51 1HE2 GLN 51 3.894 4.027 10.814 368 2HE2 GLN 51 2HE2 GLN 51 3.386 2.622 11.879 369 H ASN 52 H ASN 52 7.432 -1.229 13.574 370 HA ASN 52 HA ASN 52 9.484 -3.280 12.650 371 1HB ASN 52 1HB ASN 52 9.121 -2.248 15.510 372 2HB ASN 52 2HB ASN 52 10.530 -2.049 14.490 373 1HD2 ASN 52 1HD2 ASN 52 11.173 -5.802 14.959 374 2HD2 ASN 52 2HD2 ASN 52 10.732 -4.760 13.515 375 HA PRO 53 HA PRO 53 5.203 -5.191 13.737 376 1HB PRO 53 1HB PRO 53 4.482 -6.327 11.339 377 2HB PRO 53 2HB PRO 53 4.296 -4.604 11.702 378 1HG PRO 53 1HG PRO 53 5.578 -4.417 9.741 379 2HG PRO 53 2HG PRO 53 6.505 -5.909 10.023 380 1HD PRO 53 1HD PRO 53 6.947 -3.111 11.100 381 2HD PRO 53 2HD PRO 53 8.131 -4.440 10.912 382 H THR 54 H THR 54 4.571 -7.688 12.723 383 HA THR 54 HA THR 54 6.913 -9.485 13.542 384 HB THR 54 HB THR 54 5.682 -10.660 14.981 385 HG1 THR 54 HG1 THR 54 3.694 -11.436 14.561 386 1HG2 THR 54 1HG2 THR 54 3.781 -9.540 16.100 387 2HG2 THR 54 2HG2 THR 54 5.054 -8.349 15.745 388 3HG2 THR 54 3HG2 THR 54 3.586 -8.412 14.737 389 H LYS 55 H LYS 55 6.430 -11.820 12.757 390 HA LYS 55 HA LYS 55 6.472 -11.682 9.755 391 1HB LYS 55 1HB LYS 55 6.891 -14.091 11.626 392 2HB LYS 55 2HB LYS 55 8.164 -13.044 11.036 393 1HG LYS 55 1HG LYS 55 6.466 -14.275 8.879 394 2HG LYS 55 2HG LYS 55 7.321 -15.437 9.874 395 1HD LYS 55 1HD LYS 55 9.510 -14.094 9.359 396 2HD LYS 55 2HD LYS 55 8.797 -15.064 8.080 397 1HE LYS 55 1HE LYS 55 7.525 -12.689 7.523 398 2HE LYS 55 2HE LYS 55 8.994 -12.045 8.259 399 1HZ LYS 55 1HZ LYS 55 9.100 -12.429 5.806 400 2HZ LYS 55 2HZ LYS 55 10.313 -13.185 6.635 401 3HZ LYS 55 3HZ LYS 55 9.034 -14.060 6.063 402 H GLU 56 H GLU 56 4.580 -13.287 12.315 403 HA GLU 56 HA GLU 56 2.740 -14.778 10.569 404 1HB GLU 56 1HB GLU 56 1.257 -14.818 12.721 405 2HB GLU 56 2HB GLU 56 2.589 -14.007 13.518 406 1HG GLU 56 1HG GLU 56 3.962 -16.135 12.370 407 2HG GLU 56 2HG GLU 56 3.327 -16.116 14.007 408 H GLU 57 H GLU 57 2.763 -11.552 11.982 409 HA GLU 57 HA GLU 57 -0.047 -10.838 11.304 410 1HB GLU 57 1HB GLU 57 2.223 -8.907 12.011 411 2HB GLU 57 2HB GLU 57 0.506 -8.558 12.015 412 1HG GLU 57 1HG GLU 57 1.571 -10.789 13.828 413 2HG GLU 57 2HG GLU 57 1.824 -9.113 14.285 414 H LEU 58 H LEU 58 3.126 -10.543 9.807 415 HA LEU 58 HA LEU 58 2.462 -8.726 7.603 416 1HB LEU 58 1HB LEU 58 4.806 -9.251 8.284 417 2HB LEU 58 2HB LEU 58 4.621 -10.910 7.757 418 HG LEU 58 HG LEU 58 4.292 -8.573 5.787 419 1HD1 LEU 58 1HD1 LEU 58 5.130 -11.491 5.247 420 2HD1 LEU 58 2HD1 LEU 58 3.462 -10.915 5.117 421 3HD1 LEU 58 3HD1 LEU 58 4.714 -10.245 4.043 422 1HD2 LEU 58 1HD2 LEU 58 6.673 -8.767 5.158 423 2HD2 LEU 58 2HD2 LEU 58 6.585 -8.435 6.906 424 3HD2 LEU 58 3HD2 LEU 58 6.930 -10.079 6.337 425 H ASP 59 H ASP 59 2.171 -12.202 8.098 426 HA ASP 59 HA ASP 59 1.450 -12.849 5.274 427 1HB ASP 59 1HB ASP 59 1.644 -14.525 7.814 428 2HB ASP 59 2HB ASP 59 0.801 -15.161 6.420 429 H ALA 60 H ALA 60 -0.215 -12.230 8.312 430 HA ALA 60 HA ALA 60 -2.869 -13.301 7.616 431 1HB ALA 60 1HB ALA 60 -3.672 -12.059 9.620 432 2HB ALA 60 2HB ALA 60 -2.185 -12.961 9.971 433 3HB ALA 60 3HB ALA 60 -2.122 -11.194 9.745 434 H ILE 61 H ILE 61 -1.555 -9.971 7.703 435 HA ILE 61 HA ILE 61 -3.749 -8.426 6.854 436 HB ILE 61 HB ILE 61 -0.784 -8.008 6.323 437 1HG1 ILE 61 1HG1 ILE 61 -1.546 -7.634 8.673 438 2HG1 ILE 61 2HG1 ILE 61 -2.820 -6.560 8.138 439 1HG2 ILE 61 1HG2 ILE 61 -1.264 -5.720 5.412 440 2HG2 ILE 61 2HG2 ILE 61 -1.946 -6.962 4.365 441 3HG2 ILE 61 3HG2 ILE 61 -3.013 -6.049 5.457 442 1HD1 ILE 61 1HD1 ILE 61 -1.213 -4.831 7.381 443 2HD1 ILE 61 2HD1 ILE 61 -0.898 -5.289 9.069 444 3HD1 ILE 61 3HD1 ILE 61 0.159 -5.902 7.776 445 H ILE 62 H ILE 62 -1.599 -10.521 5.019 446 HA ILE 62 HA ILE 62 -2.360 -9.722 2.289 447 HB ILE 62 HB ILE 62 -1.173 -12.387 3.218 448 1HG1 ILE 62 1HG1 ILE 62 0.698 -11.126 3.661 449 2HG1 ILE 62 2HG1 ILE 62 0.903 -11.112 1.923 450 1HG2 ILE 62 1HG2 ILE 62 -0.487 -12.729 0.831 451 2HG2 ILE 62 2HG2 ILE 62 -2.241 -12.612 0.954 452 3HG2 ILE 62 3HG2 ILE 62 -1.308 -11.221 0.358 453 1HD1 ILE 62 1HD1 ILE 62 -0.380 -8.823 3.527 454 2HD1 ILE 62 2HD1 ILE 62 1.210 -8.842 2.735 455 3HD1 ILE 62 3HD1 ILE 62 -0.268 -8.882 1.746 456 H GLU 63 H GLU 63 -3.380 -12.400 4.421 457 HA GLU 63 HA GLU 63 -5.281 -13.688 2.675 458 1HB GLU 63 1HB GLU 63 -4.681 -14.940 4.559 459 2HB GLU 63 2HB GLU 63 -4.981 -13.635 5.690 460 1HG GLU 63 1HG GLU 63 -7.564 -13.997 4.821 461 2HG GLU 63 2HG GLU 63 -6.869 -14.849 6.190 462 H GLU 64 H GLU 64 -5.583 -10.866 4.756 463 HA GLU 64 HA GLU 64 -8.557 -10.653 4.614 464 1HB GLU 64 1HB GLU 64 -6.992 -9.825 6.528 465 2HB GLU 64 2HB GLU 64 -6.682 -8.422 5.525 466 1HG GLU 64 1HG GLU 64 -8.471 -7.492 6.614 467 2HG GLU 64 2HG GLU 64 -9.461 -8.411 5.493 468 H VAL 65 H VAL 65 -5.769 -9.335 2.925 469 HA VAL 65 HA VAL 65 -7.524 -7.478 1.248 470 HB VAL 65 HB VAL 65 -5.210 -6.860 2.590 471 1HG1 VAL 65 1HG1 VAL 65 -6.109 -5.377 0.033 472 2HG1 VAL 65 2HG1 VAL 65 -6.984 -5.297 1.574 473 3HG1 VAL 65 3HG1 VAL 65 -5.315 -4.686 1.470 474 1HG2 VAL 65 1HG2 VAL 65 -3.324 -6.493 1.085 475 2HG2 VAL 65 2HG2 VAL 65 -3.783 -8.204 0.904 476 3HG2 VAL 65 3HG2 VAL 65 -4.248 -7.033 -0.338 477 H ASP 66 H ASP 66 -7.083 -10.488 1.058 478 HA ASP 66 HA ASP 66 -6.667 -10.561 -1.939 479 1HB ASP 66 1HB ASP 66 -5.215 -12.706 -0.323 480 2HB ASP 66 2HB ASP 66 -4.435 -11.177 -0.657 481 H GLU 67 H GLU 67 -8.910 -10.656 -0.164 482 HA GLU 67 HA GLU 67 -9.996 -13.471 -0.242 483 1HB GLU 67 1HB GLU 67 -11.883 -12.719 0.929 484 2HB GLU 67 2HB GLU 67 -10.535 -11.845 1.631 485 1HG GLU 67 1HG GLU 67 -11.847 -9.985 1.416 486 2HG GLU 67 2HG GLU 67 -11.387 -9.995 -0.278 487 H ASP 68 H ASP 68 -10.199 -10.422 -1.996 488 HA ASP 68 HA ASP 68 -11.883 -11.738 -4.186 489 1HB ASP 68 1HB ASP 68 -13.402 -9.975 -4.392 490 2HB ASP 68 2HB ASP 68 -13.254 -10.170 -2.661 491 H GLY 69 H GLY 69 -9.685 -9.094 -3.253 492 1HA GLY 69 1HA GLY 69 -8.865 -7.953 -5.761 493 2HA GLY 69 2HA GLY 69 -7.771 -8.170 -4.389 494 H SER 70 H SER 70 -7.012 -8.396 -7.068 495 HA SER 70 HA SER 70 -6.604 -11.358 -7.655 496 1HB SER 70 1HB SER 70 -5.457 -10.073 -9.803 497 2HB SER 70 2HB SER 70 -6.652 -8.866 -9.323 498 HG SER 70 HG SER 70 -7.255 -10.678 -10.785 499 H GLY 71 H GLY 71 -5.277 -9.995 -5.431 500 1HA GLY 71 1HA GLY 71 -3.096 -10.080 -4.361 501 2HA GLY 71 2HA GLY 71 -2.532 -11.007 -5.755 502 H THR 72 H THR 72 -3.996 -7.795 -5.869 503 HA THR 72 HA THR 72 -1.378 -6.643 -6.930 504 HB THR 72 HB THR 72 -2.625 -5.007 -8.260 505 HG1 THR 72 HG1 THR 72 -5.003 -6.367 -7.957 506 1HG2 THR 72 1HG2 THR 72 -2.138 -6.826 -9.704 507 2HG2 THR 72 2HG2 THR 72 -3.241 -7.943 -8.872 508 3HG2 THR 72 3HG2 THR 72 -3.895 -6.641 -9.900 509 H ILE 73 H ILE 73 -0.684 -4.694 -6.165 510 HA ILE 73 HA ILE 73 -2.281 -3.305 -4.000 511 HB ILE 73 HB ILE 73 -0.719 -4.919 -2.914 512 1HG1 ILE 73 1HG1 ILE 73 0.011 -2.077 -2.051 513 2HG1 ILE 73 2HG1 ILE 73 -0.201 -3.509 -1.061 514 1HG2 ILE 73 1HG2 ILE 73 1.706 -4.518 -2.703 515 2HG2 ILE 73 2HG2 ILE 73 1.307 -4.716 -4.415 516 3HG2 ILE 73 3HG2 ILE 73 1.620 -3.090 -3.761 517 1HD1 ILE 73 1HD1 ILE 73 -2.760 -3.405 -1.993 518 2HD1 ILE 73 2HD1 ILE 73 -2.212 -2.473 -0.583 519 3HD1 ILE 73 3HD1 ILE 73 -2.340 -1.679 -2.171 520 H ASP 74 H ASP 74 -2.419 -1.224 -4.359 521 HA ASP 74 HA ASP 74 -0.540 0.122 -6.362 522 1HB ASP 74 1HB ASP 74 -2.783 1.804 -5.940 523 2HB ASP 74 2HB ASP 74 -3.382 0.143 -6.221 524 H PHE 75 H PHE 75 -0.329 2.538 -5.899 525 HA PHE 75 HA PHE 75 0.912 2.985 -3.262 526 1HB PHE 75 1HB PHE 75 0.182 5.182 -5.277 527 2HB PHE 75 2HB PHE 75 1.511 4.088 -5.556 528 HD1 PHE 75 HD1 PHE 75 3.565 4.190 -4.048 529 HD2 PHE 75 HD2 PHE 75 0.279 6.908 -3.466 530 HE1 PHE 75 HE1 PHE 75 5.028 5.703 -2.774 531 HE2 PHE 75 HE2 PHE 75 1.762 8.410 -2.197 532 HZ PHE 75 HZ PHE 75 4.121 7.792 -1.813 533 H GLU 76 H GLU 76 -2.222 3.658 -4.711 534 HA GLU 76 HA GLU 76 -3.282 5.578 -2.783 535 1HB GLU 76 1HB GLU 76 -4.562 3.745 -4.827 536 2HB GLU 76 2HB GLU 76 -5.590 4.486 -3.617 537 1HG GLU 76 1HG GLU 76 -3.972 5.844 -5.832 538 2HG GLU 76 2HG GLU 76 -4.395 6.772 -4.403 539 H GLU 77 H GLU 77 -4.167 2.133 -3.131 540 HA GLU 77 HA GLU 77 -5.370 1.714 -0.532 541 1HB GLU 77 1HB GLU 77 -3.867 -0.466 -2.064 542 2HB GLU 77 2HB GLU 77 -5.438 0.134 -2.558 543 1HG GLU 77 1HG GLU 77 -4.728 -1.448 -0.026 544 2HG GLU 77 2HG GLU 77 -6.207 -0.502 -0.079 545 H PHE 78 H PHE 78 -2.015 1.806 -1.552 546 HA PHE 78 HA PHE 78 -0.763 0.474 0.727 547 1HB PHE 78 1HB PHE 78 0.741 0.596 -1.008 548 2HB PHE 78 2HB PHE 78 0.194 2.155 -1.568 549 HD1 PHE 78 HD1 PHE 78 2.171 0.539 1.237 550 HD2 PHE 78 HD2 PHE 78 1.467 4.140 -1.010 551 HE1 PHE 78 HE1 PHE 78 4.196 1.550 2.203 552 HE2 PHE 78 HE2 PHE 78 3.493 5.136 -0.030 553 HZ PHE 78 HZ PHE 78 4.856 3.850 1.580 554 H LEU 79 H LEU 79 -1.692 3.822 0.064 555 HA LEU 79 HA LEU 79 -0.568 5.031 2.542 556 1HB LEU 79 1HB LEU 79 -2.136 6.982 1.946 557 2HB LEU 79 2HB LEU 79 -2.685 6.057 0.565 558 HG LEU 79 HG LEU 79 -0.097 5.970 -0.108 559 1HD1 LEU 79 1HD1 LEU 79 -0.370 8.081 -1.415 560 2HD1 LEU 79 2HD1 LEU 79 -1.867 7.130 -1.447 561 3HD1 LEU 79 3HD1 LEU 79 -1.752 8.564 -0.397 562 1HD2 LEU 79 1HD2 LEU 79 -0.122 8.449 1.742 563 2HD2 LEU 79 2HD2 LEU 79 0.843 6.971 1.979 564 3HD2 LEU 79 3HD2 LEU 79 1.174 8.024 0.596 565 H VAL 80 H VAL 80 -3.605 3.560 1.536 566 HA VAL 80 HA VAL 80 -5.316 4.458 3.731 567 HB VAL 80 HB VAL 80 -5.618 2.018 1.910 568 1HG1 VAL 80 1HG1 VAL 80 -7.170 4.679 1.803 569 2HG1 VAL 80 2HG1 VAL 80 -5.736 4.359 0.820 570 3HG1 VAL 80 3HG1 VAL 80 -7.187 3.352 0.613 571 1HG2 VAL 80 1HG2 VAL 80 -7.956 1.803 2.615 572 2HG2 VAL 80 2HG2 VAL 80 -6.961 1.724 4.087 573 3HG2 VAL 80 3HG2 VAL 80 -7.834 3.213 3.695 574 H MET 81 H MET 81 -3.130 1.724 3.284 575 HA MET 81 HA MET 81 -3.943 0.255 5.766 576 1HB MET 81 1HB MET 81 -2.936 -0.746 3.529 577 2HB MET 81 2HB MET 81 -2.597 -1.480 5.086 578 1HG MET 81 1HG MET 81 -0.703 0.242 3.389 579 2HG MET 81 2HG MET 81 -0.378 -0.061 5.103 580 1HE MET 81 1HE MET 81 1.488 -2.448 5.493 581 2HE MET 81 2HE MET 81 -0.094 -2.061 6.233 582 3HE MET 81 3HE MET 81 0.207 -3.698 5.579 583 H MET 82 H MET 82 -1.453 2.519 4.733 584 HA MET 82 HA MET 82 0.476 2.252 6.884 585 1HB MET 82 1HB MET 82 -0.148 4.440 4.888 586 2HB MET 82 2HB MET 82 0.791 4.895 6.298 587 1HG MET 82 1HG MET 82 1.577 2.620 4.366 588 2HG MET 82 2HG MET 82 2.225 4.267 4.326 589 1HE MET 82 1HE MET 82 3.736 4.463 8.100 590 2HE MET 82 2HE MET 82 2.907 5.408 6.828 591 3HE MET 82 3HE MET 82 1.951 4.407 7.959 592 H VAL 83 H VAL 83 -2.137 4.670 6.498 593 HA VAL 83 HA VAL 83 -2.013 5.925 9.090 594 HB VAL 83 HB VAL 83 -4.188 5.704 7.017 595 1HG1 VAL 83 1HG1 VAL 83 -3.060 8.195 8.441 596 2HG1 VAL 83 2HG1 VAL 83 -2.339 7.506 6.979 597 3HG1 VAL 83 3HG1 VAL 83 -4.003 8.132 6.929 598 1HG2 VAL 83 1HG2 VAL 83 -5.886 6.867 8.329 599 2HG2 VAL 83 2HG2 VAL 83 -5.429 5.428 9.268 600 3HG2 VAL 83 3HG2 VAL 83 -4.808 7.016 9.740 601 NH1 ARG 84 NH1 ARG 84 -7.105 -2.874 7.476 602 NH2 ARG 84 NH2 ARG 84 -6.347 -2.022 5.511 603 H ARG 84 H ARG 84 -3.785 3.043 7.983 604 HA ARG 84 HA ARG 84 -5.321 2.243 10.242 605 1HB ARG 84 1HB ARG 84 -4.869 1.026 7.896 606 2HB ARG 84 2HB ARG 84 -3.654 0.140 8.807 607 1HG ARG 84 1HG ARG 84 -5.274 -1.304 9.432 608 2HG ARG 84 2HG ARG 84 -5.872 -0.053 10.524 609 1HD ARG 84 1HD ARG 84 -7.744 -0.875 9.130 610 2HD ARG 84 2HD ARG 84 -7.428 0.816 8.745 611 HE ARG 84 HE ARG 84 -6.737 0.169 6.519 612 1HH1 ARG 84 1HH1 ARG 84 -7.060 -3.785 7.006 613 2HH1 ARG 84 2HH1 ARG 84 -7.398 -2.694 8.443 614 1HH2 ARG 84 1HH2 ARG 84 -5.974 -1.210 5.008 615 2HH2 ARG 84 2HH2 ARG 84 -6.452 -2.976 5.149 616 H GLN 85 H GLN 85 -1.881 1.443 9.627 617 HA GLN 85 HA GLN 85 -1.429 -0.015 12.152 618 1HB GLN 85 1HB GLN 85 1.121 0.794 11.397 619 2HB GLN 85 2HB GLN 85 0.268 0.936 9.870 620 1HG GLN 85 1HG GLN 85 1.098 -1.259 9.782 621 2HG GLN 85 2HG GLN 85 -0.575 -1.508 10.239 622 1HE2 GLN 85 1HE2 GLN 85 0.655 -3.581 12.890 623 2HE2 GLN 85 2HE2 GLN 85 -0.222 -3.478 11.282 624 H MET 86 H MET 86 -1.124 3.339 11.127 625 HA MET 86 HA MET 86 0.601 4.434 13.191 626 1HB MET 86 1HB MET 86 -1.608 6.248 12.267 627 2HB MET 86 2HB MET 86 -0.681 5.504 10.978 628 1HG MET 86 1HG MET 86 1.312 6.644 11.525 629 2HG MET 86 2HG MET 86 0.901 6.787 13.242 630 1HE MET 86 1HE MET 86 1.347 8.264 10.067 631 2HE MET 86 2HE MET 86 -0.328 8.566 9.518 632 3HE MET 86 3HE MET 86 0.656 9.914 10.161 633 H LYS 87 H LYS 87 -2.863 3.757 13.095 634 HA LYS 87 HA LYS 87 -3.580 5.020 15.699 635 1HB LYS 87 1HB LYS 87 -5.337 4.734 14.023 636 2HB LYS 87 2HB LYS 87 -5.071 3.007 13.915 637 1HG LYS 87 1HG LYS 87 -6.429 2.559 15.694 638 2HG LYS 87 2HG LYS 87 -5.719 3.808 16.696 639 1HD LYS 87 1HD LYS 87 -8.069 4.057 14.737 640 2HD LYS 87 2HD LYS 87 -8.024 4.383 16.463 641 1HE LYS 87 1HE LYS 87 -6.097 6.161 15.145 642 2HE LYS 87 2HE LYS 87 -7.655 6.293 14.327 643 1HZ LYS 87 1HZ LYS 87 -7.051 7.633 16.534 644 2HZ LYS 87 2HZ LYS 87 -8.605 7.207 16.170 645 3HZ LYS 87 3HZ LYS 87 -7.735 6.313 17.254 646 H GLU 88 H GLU 88 -3.417 1.598 14.625 647 HA GLU 88 HA GLU 88 -1.726 0.502 16.647 648 1HB GLU 88 1HB GLU 88 -3.505 -0.552 18.225 649 2HB GLU 88 2HB GLU 88 -2.944 1.084 18.510 650 1HG GLU 88 1HG GLU 88 -5.126 1.727 18.612 651 2HG GLU 88 2HG GLU 88 -5.225 1.493 16.874 652 H ASP 89 H ASP 89 -2.530 -1.923 17.138 653 HA ASP 89 HA ASP 89 -4.236 -3.305 15.161 654 1HB ASP 89 1HB ASP 89 -1.396 -4.111 14.584 655 2HB ASP 89 2HB ASP 89 -1.866 -2.542 13.975 656 H ALA 90 H ALA 90 -1.059 -4.089 16.594 657 HA ALA 90 HA ALA 90 -0.375 -5.688 18.266 658 1HB ALA 90 1HB ALA 90 -3.113 -5.793 19.550 659 2HB ALA 90 2HB ALA 90 -1.519 -5.547 20.291 660 3HB ALA 90 3HB ALA 90 -2.346 -4.187 19.493 Start of MODEL 40 Raw file had 660 H/Q atoms Start of MODEL 40 1 1H ALA 1 1H ALA 1 -18.620 2.309 13.123 2 2H ALA 1 2H ALA 1 -19.503 2.664 11.737 3 3H ALA 1 3H ALA 1 -20.132 1.612 12.888 4 HA ALA 1 HA ALA 1 -17.548 0.990 11.684 5 1HB ALA 1 1HB ALA 1 -19.789 -0.999 12.278 6 2HB ALA 1 2HB ALA 1 -18.032 -1.234 12.354 7 3HB ALA 1 3HB ALA 1 -18.863 -0.310 13.632 8 H SER 2 H SER 2 -18.153 2.279 9.764 9 HA SER 2 HA SER 2 -19.215 0.557 7.577 10 1HB SER 2 1HB SER 2 -21.001 2.332 6.870 11 2HB SER 2 2HB SER 2 -21.404 1.157 8.124 12 HG SER 2 HG SER 2 -20.189 3.500 8.985 13 H MET 3 H MET 3 -17.271 0.904 6.604 14 HA MET 3 HA MET 3 -16.569 3.751 5.684 15 1HB MET 3 1HB MET 3 -14.179 2.598 5.317 16 2HB MET 3 2HB MET 3 -14.643 3.339 6.837 17 1HG MET 3 1HG MET 3 -14.132 0.441 6.218 18 2HG MET 3 2HG MET 3 -15.509 0.729 7.293 19 1HE MET 3 1HE MET 3 -11.479 2.320 7.130 20 2HE MET 3 2HE MET 3 -11.104 0.915 8.171 21 3HE MET 3 3HE MET 3 -11.913 0.665 6.597 22 H THR 4 H THR 4 -18.207 3.231 4.061 23 HA THR 4 HA THR 4 -17.983 1.082 2.098 24 HB THR 4 HB THR 4 -20.100 2.156 2.321 25 HG1 THR 4 HG1 THR 4 -19.943 1.468 0.340 26 1HG2 THR 4 1HG2 THR 4 -20.657 4.451 1.607 27 2HG2 THR 4 2HG2 THR 4 -19.481 4.527 2.938 28 3HG2 THR 4 3HG2 THR 4 -18.955 4.826 1.262 29 H ASP 5 H ASP 5 -16.579 4.303 2.329 30 HA ASP 5 HA ASP 5 -14.431 3.654 0.353 31 1HB ASP 5 1HB ASP 5 -16.471 5.815 -0.422 32 2HB ASP 5 2HB ASP 5 -14.887 5.660 -1.146 33 H GLN 6 H GLN 6 -14.316 4.129 3.007 34 HA GLN 6 HA GLN 6 -13.421 6.975 3.548 35 1HB GLN 6 1HB GLN 6 -13.623 4.461 5.292 36 2HB GLN 6 2HB GLN 6 -12.720 5.869 5.823 37 1HG GLN 6 1HG GLN 6 -14.782 7.302 5.622 38 2HG GLN 6 2HG GLN 6 -15.707 5.924 5.065 39 1HE2 GLN 6 1HE2 GLN 6 -16.569 5.189 8.452 40 2HE2 GLN 6 2HE2 GLN 6 -17.100 5.552 6.733 41 H GLN 7 H GLN 7 -12.035 5.874 1.446 42 HA GLN 7 HA GLN 7 -9.373 4.787 2.345 43 1HB GLN 7 1HB GLN 7 -8.796 4.585 0.039 44 2HB GLN 7 2HB GLN 7 -10.477 4.100 0.179 45 1HG GLN 7 1HG GLN 7 -10.216 6.994 -0.482 46 2HG GLN 7 2HG GLN 7 -9.409 5.975 -1.655 47 1HE2 GLN 7 1HE2 GLN 7 -12.603 4.362 -2.657 48 2HE2 GLN 7 2HE2 GLN 7 -10.826 3.995 -2.379 49 H ALA 8 H ALA 8 -10.811 7.838 1.286 50 HA ALA 8 HA ALA 8 -8.302 9.380 0.990 51 1HB ALA 8 1HB ALA 8 -9.653 11.179 0.376 52 2HB ALA 8 2HB ALA 8 -10.727 9.820 -0.010 53 3HB ALA 8 3HB ALA 8 -10.979 10.756 1.485 54 H GLU 9 H GLU 9 -10.472 8.620 3.632 55 HA GLU 9 HA GLU 9 -10.178 10.649 5.559 56 1HB GLU 9 1HB GLU 9 -11.528 8.533 5.825 57 2HB GLU 9 2HB GLU 9 -10.063 7.663 6.236 58 1HG GLU 9 1HG GLU 9 -10.154 9.949 8.017 59 2HG GLU 9 2HG GLU 9 -10.304 8.246 8.418 60 H ALA 10 H ALA 10 -7.767 8.313 4.521 61 HA ALA 10 HA ALA 10 -5.838 8.761 6.739 62 1HB ALA 10 1HB ALA 10 -4.310 7.308 5.413 63 2HB ALA 10 2HB ALA 10 -5.926 6.589 5.551 64 3HB ALA 10 3HB ALA 10 -5.421 7.354 4.023 65 NH1 ARG 11 NH1 ARG 11 -5.540 15.215 -0.564 66 NH2 ARG 11 NH2 ARG 11 -7.413 14.646 -1.717 67 H ARG 11 H ARG 11 -6.039 9.747 3.315 68 HA ARG 11 HA ARG 11 -3.466 11.091 3.033 69 1HB ARG 11 1HB ARG 11 -6.066 11.770 1.528 70 2HB ARG 11 2HB ARG 11 -4.997 10.432 1.130 71 1HG ARG 11 1HG ARG 11 -4.132 13.386 1.111 72 2HG ARG 11 2HG ARG 11 -3.093 12.020 0.700 73 1HD ARG 11 1HD ARG 11 -4.604 11.405 -1.223 74 2HD ARG 11 2HD ARG 11 -3.944 13.030 -1.390 75 HE ARG 11 HE ARG 11 -6.831 12.355 -0.792 76 1HH1 ARG 11 1HH1 ARG 11 -7.608 15.653 -1.741 77 2HH1 ARG 11 2HH1 ARG 11 -7.972 13.901 -2.145 78 1HH2 ARG 11 1HH2 ARG 11 -4.649 14.911 -0.156 79 2HH2 ARG 11 2HH2 ARG 11 -5.894 16.178 -0.618 80 H ALA 12 H ALA 12 -6.646 12.215 4.122 81 HA ALA 12 HA ALA 12 -6.056 15.109 4.284 82 1HB ALA 12 1HB ALA 12 -8.137 15.266 5.635 83 2HB ALA 12 2HB ALA 12 -8.388 14.282 4.179 84 3HB ALA 12 3HB ALA 12 -8.223 13.492 5.767 85 H PHE 13 H PHE 13 -5.642 12.343 6.425 86 HA PHE 13 HA PHE 13 -4.977 13.804 8.896 87 1HB PHE 13 1HB PHE 13 -4.933 10.949 7.978 88 2HB PHE 13 2HB PHE 13 -5.611 11.653 9.422 89 HD1 PHE 13 HD1 PHE 13 -2.451 10.356 7.874 90 HD2 PHE 13 HD2 PHE 13 -4.231 11.842 11.501 91 HE1 PHE 13 HE1 PHE 13 -0.667 9.296 9.198 92 HE2 PHE 13 HE2 PHE 13 -2.440 10.775 12.806 93 HZ PHE 13 HZ PHE 13 -0.632 9.541 11.658 94 H LEU 14 H LEU 14 -3.182 12.704 6.085 95 HA LEU 14 HA LEU 14 -0.488 13.481 7.264 96 1HB LEU 14 1HB LEU 14 0.549 12.231 5.568 97 2HB LEU 14 2HB LEU 14 -0.767 12.433 4.432 98 HG LEU 14 HG LEU 14 -2.008 10.907 6.436 99 1HD1 LEU 14 1HD1 LEU 14 -1.834 9.007 4.821 100 2HD1 LEU 14 2HD1 LEU 14 -2.196 10.519 3.970 101 3HD1 LEU 14 3HD1 LEU 14 -0.546 9.851 3.925 102 1HD2 LEU 14 1HD2 LEU 14 0.902 9.886 6.197 103 2HD2 LEU 14 2HD2 LEU 14 0.126 10.513 7.672 104 3HD2 LEU 14 3HD2 LEU 14 -0.450 9.003 6.951 105 H SER 15 H SER 15 0.960 14.550 5.494 106 HA SER 15 HA SER 15 -0.483 17.019 4.397 107 1HB SER 15 1HB SER 15 2.498 16.840 5.078 108 2HB SER 15 2HB SER 15 1.269 17.277 6.268 109 HG SER 15 HG SER 15 2.310 18.699 4.196 110 H GLU 16 H GLU 16 0.903 18.034 2.565 111 HA GLU 16 HA GLU 16 0.901 16.148 0.271 112 1HB GLU 16 1HB GLU 16 1.269 19.130 0.581 113 2HB GLU 16 2HB GLU 16 1.906 18.390 -0.874 114 1HG GLU 16 1HG GLU 16 -0.357 17.509 -1.478 115 2HG GLU 16 2HG GLU 16 -1.024 18.079 0.043 116 H GLU 17 H GLU 17 3.304 17.774 2.252 117 HA GLU 17 HA GLU 17 5.665 17.208 0.530 118 1HB GLU 17 1HB GLU 17 6.035 19.065 1.877 119 2HB GLU 17 2HB GLU 17 5.336 18.342 3.312 120 1HG GLU 17 1HG GLU 17 7.384 16.825 3.517 121 2HG GLU 17 2HG GLU 17 8.079 17.602 2.104 122 H MET 18 H MET 18 4.034 15.625 3.219 123 HA MET 18 HA MET 18 6.040 13.558 3.822 124 1HB MET 18 1HB MET 18 4.413 13.990 5.529 125 2HB MET 18 2HB MET 18 3.057 13.787 4.435 126 1HG MET 18 1HG MET 18 3.195 11.396 4.462 127 2HG MET 18 2HG MET 18 4.886 11.393 4.988 128 1HE MET 18 1HE MET 18 4.769 12.379 8.760 129 2HE MET 18 2HE MET 18 5.761 12.100 7.299 130 3HE MET 18 3HE MET 18 4.881 13.644 7.496 131 H ILE 19 H ILE 19 3.346 13.826 1.566 132 HA ILE 19 HA ILE 19 3.094 11.024 0.752 133 HB ILE 19 HB ILE 19 2.299 13.606 -0.664 134 1HG1 ILE 19 1HG1 ILE 19 0.668 13.304 1.000 135 2HG1 ILE 19 2HG1 ILE 19 -0.064 12.437 -0.333 136 1HG2 ILE 19 1HG2 ILE 19 1.131 12.255 -2.420 137 2HG2 ILE 19 2HG2 ILE 19 2.866 11.948 -2.468 138 3HG2 ILE 19 3HG2 ILE 19 1.782 10.748 -1.727 139 1HD1 ILE 19 1HD1 ILE 19 1.390 11.084 2.015 140 2HD1 ILE 19 2HD1 ILE 19 -0.354 11.106 1.681 141 3HD1 ILE 19 3HD1 ILE 19 0.742 10.227 0.589 142 H ALA 20 H ALA 20 4.982 13.761 -0.539 143 HA ALA 20 HA ALA 20 6.112 12.576 -2.907 144 1HB ALA 20 1HB ALA 20 7.094 14.780 -1.040 145 2HB ALA 20 2HB ALA 20 8.081 14.261 -2.420 146 3HB ALA 20 3HB ALA 20 6.446 14.917 -2.692 147 H GLU 21 H GLU 21 7.065 12.324 0.487 148 HA GLU 21 HA GLU 21 9.690 11.009 0.008 149 1HB GLU 21 1HB GLU 21 8.075 11.450 2.567 150 2HB GLU 21 2HB GLU 21 9.593 10.574 2.550 151 1HG GLU 21 1HG GLU 21 9.082 13.543 2.191 152 2HG GLU 21 2HG GLU 21 10.312 12.727 3.142 153 H PHE 22 H PHE 22 6.398 10.003 0.751 154 HA PHE 22 HA PHE 22 6.854 7.223 1.528 155 1HB PHE 22 1HB PHE 22 4.358 7.054 0.394 156 2HB PHE 22 2HB PHE 22 4.452 8.788 0.552 157 HD1 PHE 22 HD1 PHE 22 6.297 6.739 3.058 158 HD2 PHE 22 HD2 PHE 22 2.566 8.712 2.211 159 HE1 PHE 22 HE1 PHE 22 5.566 6.376 5.378 160 HE2 PHE 22 HE2 PHE 22 1.843 8.314 4.529 161 HZ PHE 22 HZ PHE 22 3.364 7.209 6.133 162 H LYS 23 H LYS 23 5.700 8.530 -1.600 163 HA LYS 23 HA LYS 23 5.883 6.218 -3.263 164 1HB LYS 23 1HB LYS 23 6.724 8.234 -5.023 165 2HB LYS 23 2HB LYS 23 5.075 7.731 -4.725 166 1HG LYS 23 1HG LYS 23 4.830 9.528 -2.981 167 2HG LYS 23 2HG LYS 23 6.502 10.002 -3.208 168 1HD LYS 23 1HD LYS 23 4.932 11.554 -4.395 169 2HD LYS 23 2HD LYS 23 6.071 10.786 -5.488 170 1HE LYS 23 1HE LYS 23 4.011 8.978 -5.735 171 2HE LYS 23 2HE LYS 23 3.067 10.418 -5.346 172 1HZ LYS 23 1HZ LYS 23 3.266 10.655 -7.590 173 2HZ LYS 23 2HZ LYS 23 4.667 11.438 -7.199 174 3HZ LYS 23 3HZ LYS 23 4.712 9.866 -7.705 175 H ALA 24 H ALA 24 8.411 8.419 -2.161 176 HA ALA 24 HA ALA 24 10.631 7.886 -3.839 177 1HB ALA 24 1HB ALA 24 12.104 8.442 -1.914 178 2HB ALA 24 2HB ALA 24 10.718 9.545 -2.001 179 3HB ALA 24 3HB ALA 24 10.748 8.248 -0.778 180 H ALA 25 H ALA 25 9.937 6.143 -0.785 181 HA ALA 25 HA ALA 25 11.926 4.006 -1.177 182 1HB ALA 25 1HB ALA 25 10.866 2.936 0.803 183 2HB ALA 25 2HB ALA 25 11.151 4.663 1.084 184 3HB ALA 25 3HB ALA 25 9.505 4.080 0.734 185 H PHE 26 H PHE 26 8.537 4.406 -2.003 186 HA PHE 26 HA PHE 26 7.716 1.674 -2.474 187 1HB PHE 26 1HB PHE 26 6.706 4.098 -4.072 188 2HB PHE 26 2HB PHE 26 6.238 3.796 -2.420 189 HD1 PHE 26 HD1 PHE 26 5.141 1.372 -1.947 190 HD2 PHE 26 HD2 PHE 26 5.503 3.090 -5.874 191 HE1 PHE 26 HE1 PHE 26 3.314 -0.066 -2.757 192 HE2 PHE 26 HE2 PHE 26 3.674 1.646 -6.665 193 HZ PHE 26 HZ PHE 26 2.551 0.096 -5.102 194 H ASP 27 H ASP 27 9.563 3.946 -4.432 195 HA ASP 27 HA ASP 27 9.374 2.543 -7.011 196 1HB ASP 27 1HB ASP 27 10.015 5.025 -6.646 197 2HB ASP 27 2HB ASP 27 11.623 4.473 -6.236 198 H MET 28 H MET 28 11.514 2.317 -4.240 199 HA MET 28 HA MET 28 13.845 1.021 -5.267 200 1HB MET 28 1HB MET 28 12.477 0.837 -2.564 201 2HB MET 28 2HB MET 28 13.710 -0.354 -2.938 202 1HG MET 28 1HG MET 28 14.457 1.825 -1.698 203 2HG MET 28 2HG MET 28 15.464 1.260 -3.041 204 1HE MET 28 1HE MET 28 16.451 4.154 -3.247 205 2HE MET 28 2HE MET 28 15.165 5.342 -2.883 206 3HE MET 28 3HE MET 28 15.508 4.021 -1.729 207 H PHE 29 H PHE 29 10.639 -0.294 -4.614 208 HA PHE 29 HA PHE 29 11.429 -3.120 -5.413 209 1HB PHE 29 1HB PHE 29 8.874 -3.552 -4.953 210 2HB PHE 29 2HB PHE 29 8.826 -1.941 -4.292 211 HD1 PHE 29 HD1 PHE 29 11.316 -1.643 -2.723 212 HD2 PHE 29 HD2 PHE 29 8.749 -5.077 -3.113 213 HE1 PHE 29 HE1 PHE 29 12.086 -2.482 -0.541 214 HE2 PHE 29 HE2 PHE 29 9.532 -5.896 -0.929 215 HZ PHE 29 HZ PHE 29 11.193 -4.603 0.361 216 H ASP 30 H ASP 30 9.345 -0.427 -6.428 217 HA ASP 30 HA ASP 30 8.433 -1.809 -8.937 218 1HB ASP 30 1HB ASP 30 6.939 -0.219 -7.591 219 2HB ASP 30 2HB ASP 30 7.925 1.111 -8.151 220 H ALA 31 H ALA 31 10.167 -2.166 -10.196 221 HA ALA 31 HA ALA 31 12.400 -0.373 -10.789 222 1HB ALA 31 1HB ALA 31 12.861 -1.903 -12.709 223 2HB ALA 31 2HB ALA 31 12.523 -2.803 -11.218 224 3HB ALA 31 3HB ALA 31 11.282 -2.697 -12.494 225 H ASP 32 H ASP 32 9.824 -1.338 -13.064 226 HA ASP 32 HA ASP 32 9.046 1.463 -13.767 227 1HB ASP 32 1HB ASP 32 10.961 -0.031 -15.568 228 2HB ASP 32 2HB ASP 32 9.645 0.817 -16.347 229 H GLY 33 H GLY 33 6.973 0.977 -13.437 230 1HA GLY 33 1HA GLY 33 5.261 -1.144 -13.704 231 2HA GLY 33 2HA GLY 33 5.586 -0.879 -15.420 232 H GLY 34 H GLY 34 5.218 1.520 -12.808 233 1HA GLY 34 1HA GLY 34 3.897 3.647 -14.065 234 2HA GLY 34 2HA GLY 34 2.565 2.501 -13.879 235 H GLY 35 H GLY 35 3.407 1.326 -11.424 236 1HA GLY 35 1HA GLY 35 4.064 2.740 -9.109 237 2HA GLY 35 2HA GLY 35 2.494 3.462 -9.476 238 H ASP 36 H ASP 36 3.999 0.236 -9.260 239 HA ASP 36 HA ASP 36 1.919 -0.814 -7.372 240 1HB ASP 36 1HB ASP 36 0.825 -2.417 -8.710 241 2HB ASP 36 2HB ASP 36 0.782 -0.945 -9.652 242 H ILE 37 H ILE 37 2.526 -2.762 -6.452 243 HA ILE 37 HA ILE 37 5.100 -4.161 -7.264 244 HB ILE 37 HB ILE 37 6.104 -4.013 -5.012 245 1HG1 ILE 37 1HG1 ILE 37 3.764 -2.126 -4.390 246 2HG1 ILE 37 2HG1 ILE 37 5.312 -1.863 -3.616 247 1HG2 ILE 37 1HG2 ILE 37 7.095 -1.736 -5.286 248 2HG2 ILE 37 2HG2 ILE 37 6.879 -2.501 -6.867 249 3HG2 ILE 37 3HG2 ILE 37 5.746 -1.236 -6.335 250 1HD1 ILE 37 1HD1 ILE 37 5.291 -4.091 -2.538 251 2HD1 ILE 37 2HD1 ILE 37 3.794 -3.205 -2.175 252 3HD1 ILE 37 3HD1 ILE 37 3.776 -4.513 -3.380 253 H SER 38 H SER 38 5.300 -6.203 -6.181 254 HA SER 38 HA SER 38 2.985 -7.894 -5.990 255 1HB SER 38 1HB SER 38 5.191 -8.667 -4.134 256 2HB SER 38 2HB SER 38 5.727 -8.290 -5.774 257 HG SER 38 HG SER 38 5.061 -10.464 -5.425 258 H THR 39 H THR 39 1.668 -8.532 -4.356 259 HA THR 39 HA THR 39 1.167 -6.622 -2.106 260 HB THR 39 HB THR 39 -0.666 -7.721 -3.502 261 HG1 THR 39 HG1 THR 39 -0.515 -7.009 -0.982 262 1HG2 THR 39 1HG2 THR 39 -1.614 -9.867 -2.777 263 2HG2 THR 39 2HG2 THR 39 0.052 -10.142 -3.335 264 3HG2 THR 39 3HG2 THR 39 -0.313 -10.112 -1.589 265 H LYS 40 H LYS 40 2.540 -9.823 -2.585 266 HA LYS 40 HA LYS 40 2.644 -10.716 0.213 267 1HB LYS 40 1HB LYS 40 3.176 -11.937 -2.201 268 2HB LYS 40 2HB LYS 40 3.539 -12.620 -0.631 269 1HG LYS 40 1HG LYS 40 5.701 -10.849 -1.750 270 2HG LYS 40 2HG LYS 40 5.834 -12.364 -0.878 271 1HD LYS 40 1HD LYS 40 4.864 -12.261 -3.806 272 2HD LYS 40 2HD LYS 40 6.567 -12.289 -3.377 273 1HE LYS 40 1HE LYS 40 6.045 -14.466 -1.997 274 2HE LYS 40 2HE LYS 40 4.508 -14.514 -2.863 275 1HZ LYS 40 1HZ LYS 40 5.568 -14.975 -4.838 276 2HZ LYS 40 2HZ LYS 40 6.971 -14.195 -4.448 277 3HZ LYS 40 3HZ LYS 40 6.646 -15.680 -3.803 278 H GLU 41 H GLU 41 4.709 -8.728 -1.830 279 HA GLU 41 HA GLU 41 7.022 -8.670 0.090 280 1HB GLU 41 1HB GLU 41 6.591 -7.149 -2.535 281 2HB GLU 41 2HB GLU 41 8.042 -7.049 -1.558 282 1HG GLU 41 1HG GLU 41 7.320 -9.877 -2.229 283 2HG GLU 41 2HG GLU 41 7.542 -8.878 -3.655 284 H LEU 42 H LEU 42 4.313 -6.641 -0.884 285 HA LEU 42 HA LEU 42 4.771 -4.073 0.022 286 1HB LEU 42 1HB LEU 42 2.616 -4.194 -0.718 287 2HB LEU 42 2HB LEU 42 2.349 -5.800 -0.074 288 HG LEU 42 HG LEU 42 1.933 -4.849 2.219 289 1HD1 LEU 42 1HD1 LEU 42 1.688 -2.369 2.537 290 2HD1 LEU 42 2HD1 LEU 42 3.353 -2.803 2.121 291 3HD1 LEU 42 3HD1 LEU 42 2.291 -2.083 0.885 292 1HD2 LEU 42 1HD2 LEU 42 0.183 -3.538 0.029 293 2HD2 LEU 42 2HD2 LEU 42 -0.023 -5.179 0.690 294 3HD2 LEU 42 3HD2 LEU 42 -0.274 -3.770 1.737 295 H GLY 43 H GLY 43 4.118 -6.894 2.074 296 1HA GLY 43 1HA GLY 43 4.012 -5.840 4.739 297 2HA GLY 43 2HA GLY 43 4.788 -7.377 4.342 298 H THR 44 H THR 44 7.016 -7.291 3.519 299 HA THR 44 HA THR 44 8.940 -6.247 5.201 300 HB THR 44 HB THR 44 9.101 -7.023 2.300 301 HG1 THR 44 HG1 THR 44 10.412 -8.554 3.181 302 1HG2 THR 44 1HG2 THR 44 11.582 -6.713 2.250 303 2HG2 THR 44 2HG2 THR 44 10.741 -5.149 2.308 304 3HG2 THR 44 3HG2 THR 44 11.512 -5.799 3.778 305 H VAL 45 H VAL 45 7.584 -4.584 2.377 306 HA VAL 45 HA VAL 45 9.359 -2.316 2.163 307 HB VAL 45 HB VAL 45 7.078 -3.129 0.792 308 1HG1 VAL 45 1HG1 VAL 45 5.542 -1.166 0.664 309 2HG1 VAL 45 2HG1 VAL 45 5.528 -1.853 2.293 310 3HG1 VAL 45 3HG1 VAL 45 6.429 -0.352 1.981 311 1HG2 VAL 45 1HG2 VAL 45 8.585 -0.455 0.423 312 2HG2 VAL 45 2HG2 VAL 45 9.057 -2.020 -0.279 313 3HG2 VAL 45 3HG2 VAL 45 7.549 -1.249 -0.791 314 H MET 46 H MET 46 6.282 -2.644 3.966 315 HA MET 46 HA MET 46 6.059 -0.022 5.102 316 1HB MET 46 1HB MET 46 4.414 -0.834 6.547 317 2HB MET 46 2HB MET 46 4.365 -1.985 5.225 318 1HG MET 46 1HG MET 46 4.590 -3.679 6.728 319 2HG MET 46 2HG MET 46 6.227 -3.118 7.104 320 1HE MET 46 1HE MET 46 2.754 -3.698 9.339 321 2HE MET 46 2HE MET 46 2.250 -2.006 9.054 322 3HE MET 46 3HE MET 46 2.581 -3.081 7.665 323 NH1 ARG 47 NH1 ARG 47 14.073 -5.836 9.466 324 NH2 ARG 47 NH2 ARG 47 14.151 -4.877 11.524 325 H ARG 47 H ARG 47 7.982 -2.799 6.148 326 HA ARG 47 HA ARG 47 8.817 -1.738 8.792 327 1HB ARG 47 1HB ARG 47 8.805 -4.232 7.984 328 2HB ARG 47 2HB ARG 47 10.326 -3.860 7.184 329 1HG ARG 47 1HG ARG 47 11.187 -2.994 9.505 330 2HG ARG 47 2HG ARG 47 9.769 -3.782 10.201 331 1HD ARG 47 1HD ARG 47 11.807 -5.269 8.419 332 2HD ARG 47 2HD ARG 47 10.473 -6.001 9.308 333 HE ARG 47 HE ARG 47 11.676 -5.415 11.473 334 1HH1 ARG 47 1HH1 ARG 47 15.168 -4.863 11.391 335 2HH1 ARG 47 2HH1 ARG 47 13.634 -4.572 12.355 336 1HH2 ARG 47 1HH2 ARG 47 13.504 -6.091 8.651 337 2HH2 ARG 47 2HH2 ARG 47 15.091 -5.931 9.559 338 H MET 48 H MET 48 10.155 -1.730 5.519 339 HA MET 48 HA MET 48 12.818 -0.595 6.290 340 1HB MET 48 1HB MET 48 12.967 -1.967 4.379 341 2HB MET 48 2HB MET 48 11.504 -1.331 3.651 342 1HG MET 48 1HG MET 48 14.185 0.189 3.828 343 2HG MET 48 2HG MET 48 12.699 0.839 3.116 344 1HE MET 48 1HE MET 48 15.770 -1.835 1.087 345 2HE MET 48 2HE MET 48 15.955 -0.461 2.216 346 3HE MET 48 3HE MET 48 15.471 -2.065 2.839 347 H LEU 49 H LEU 49 9.769 0.734 6.147 348 HA LEU 49 HA LEU 49 10.523 3.478 5.115 349 1HB LEU 49 1HB LEU 49 8.155 4.063 6.031 350 2HB LEU 49 2HB LEU 49 7.943 2.352 6.336 351 HG LEU 49 HG LEU 49 8.647 2.167 3.700 352 1HD1 LEU 49 1HD1 LEU 49 7.234 4.906 3.817 353 2HD1 LEU 49 2HD1 LEU 49 8.963 4.690 3.491 354 3HD1 LEU 49 3HD1 LEU 49 7.759 4.035 2.354 355 1HD2 LEU 49 1HD2 LEU 49 6.260 1.946 3.155 356 2HD2 LEU 49 2HD2 LEU 49 6.479 1.348 4.818 357 3HD2 LEU 49 3HD2 LEU 49 5.786 2.954 4.546 358 H GLY 50 H GLY 50 9.818 1.768 8.146 359 1HA GLY 50 1HA GLY 50 11.667 2.657 9.960 360 2HA GLY 50 2HA GLY 50 10.728 4.147 9.825 361 H GLN 51 H GLN 51 10.182 0.654 10.301 362 HA GLN 51 HA GLN 51 8.049 1.251 12.432 363 1HB GLN 51 1HB GLN 51 7.555 0.092 9.857 364 2HB GLN 51 2HB GLN 51 7.517 -1.251 10.986 365 1HG GLN 51 1HG GLN 51 5.325 -0.687 11.248 366 2HG GLN 51 2HG GLN 51 5.932 0.477 12.407 367 1HE2 GLN 51 1HE2 GLN 51 3.854 2.682 10.370 368 2HE2 GLN 51 2HE2 GLN 51 3.972 1.698 11.914 369 H ASN 52 H ASN 52 7.543 -1.368 13.123 370 HA ASN 52 HA ASN 52 10.078 -2.778 13.852 371 1HB ASN 52 1HB ASN 52 8.542 -1.652 16.232 372 2HB ASN 52 2HB ASN 52 10.152 -2.336 16.203 373 1HD2 ASN 52 1HD2 ASN 52 9.501 1.651 15.178 374 2HD2 ASN 52 2HD2 ASN 52 8.126 0.440 15.270 375 HA PRO 53 HA PRO 53 5.894 -5.091 14.473 376 1HB PRO 53 1HB PRO 53 4.827 -4.052 12.628 377 2HB PRO 53 2HB PRO 53 4.955 -5.709 12.009 378 1HG PRO 53 1HG PRO 53 6.734 -5.272 10.588 379 2HG PRO 53 2HG PRO 53 6.092 -3.613 10.615 380 1HD PRO 53 1HD PRO 53 8.677 -4.543 11.594 381 2HD PRO 53 2HD PRO 53 7.996 -2.899 11.781 382 H THR 54 H THR 54 5.101 -7.359 13.265 383 HA THR 54 HA THR 54 7.447 -9.276 13.607 384 HB THR 54 HB THR 54 4.728 -10.477 13.610 385 HG1 THR 54 HG1 THR 54 4.131 -9.641 15.507 386 1HG2 THR 54 1HG2 THR 54 5.559 -11.662 15.615 387 2HG2 THR 54 2HG2 THR 54 6.758 -11.783 14.307 388 3HG2 THR 54 3HG2 THR 54 7.024 -10.652 15.659 389 H LYS 55 H LYS 55 7.494 -11.179 12.257 390 HA LYS 55 HA LYS 55 7.079 -10.618 9.360 391 1HB LYS 55 1HB LYS 55 8.236 -12.978 10.918 392 2HB LYS 55 2HB LYS 55 7.858 -13.172 9.220 393 1HG LYS 55 1HG LYS 55 10.260 -12.605 9.671 394 2HG LYS 55 2HG LYS 55 9.789 -11.080 10.396 395 1HD LYS 55 1HD LYS 55 9.862 -11.867 7.459 396 2HD LYS 55 2HD LYS 55 8.586 -10.765 7.951 397 1HE LYS 55 1HE LYS 55 10.281 -9.255 7.339 398 2HE LYS 55 2HE LYS 55 10.492 -9.317 9.090 399 1HZ LYS 55 1HZ LYS 55 12.030 -11.324 7.678 400 2HZ LYS 55 2HZ LYS 55 12.434 -9.778 7.260 401 3HZ LYS 55 3HZ LYS 55 12.511 -10.253 8.840 402 H GLU 56 H GLU 56 5.566 -12.576 11.873 403 HA GLU 56 HA GLU 56 3.717 -14.160 10.230 404 1HB GLU 56 1HB GLU 56 4.373 -14.138 12.914 405 2HB GLU 56 2HB GLU 56 2.779 -13.414 12.973 406 1HG GLU 56 1HG GLU 56 3.160 -16.012 11.395 407 2HG GLU 56 2HG GLU 56 1.695 -15.379 12.128 408 H GLU 57 H GLU 57 3.642 -10.923 11.613 409 HA GLU 57 HA GLU 57 0.816 -10.264 11.350 410 1HB GLU 57 1HB GLU 57 1.494 -7.866 11.334 411 2HB GLU 57 2HB GLU 57 3.173 -8.319 11.119 412 1HG GLU 57 1HG GLU 57 2.832 -9.692 13.403 413 2HG GLU 57 2HG GLU 57 3.150 -7.965 13.421 414 H LEU 58 H LEU 58 3.498 -10.264 9.063 415 HA LEU 58 HA LEU 58 2.341 -8.896 6.791 416 1HB LEU 58 1HB LEU 58 4.743 -9.603 6.945 417 2HB LEU 58 2HB LEU 58 4.281 -11.282 6.772 418 HG LEU 58 HG LEU 58 5.041 -9.547 4.701 419 1HD1 LEU 58 1HD1 LEU 58 2.014 -10.005 4.332 420 2HD1 LEU 58 2HD1 LEU 58 2.714 -8.455 4.821 421 3HD1 LEU 58 3HD1 LEU 58 3.119 -9.144 3.230 422 1HD2 LEU 58 1HD2 LEU 58 4.553 -11.426 3.173 423 2HD2 LEU 58 2HD2 LEU 58 5.123 -12.100 4.720 424 3HD2 LEU 58 3HD2 LEU 58 3.394 -12.131 4.328 425 H ASP 59 H ASP 59 2.323 -12.374 7.610 426 HA ASP 59 HA ASP 59 0.599 -13.463 5.602 427 1HB ASP 59 1HB ASP 59 0.113 -14.444 8.421 428 2HB ASP 59 2HB ASP 59 0.264 -15.339 6.926 429 H ALA 60 H ALA 60 -0.211 -11.649 8.538 430 HA ALA 60 HA ALA 60 -3.096 -12.024 8.583 431 1HB ALA 60 1HB ALA 60 -3.152 -10.039 10.087 432 2HB ALA 60 2HB ALA 60 -1.847 -11.154 10.536 433 3HB ALA 60 3HB ALA 60 -1.467 -9.640 9.675 434 H ILE 61 H ILE 61 -1.100 -9.391 7.204 435 HA ILE 61 HA ILE 61 -3.057 -7.664 6.125 436 HB ILE 61 HB ILE 61 -0.235 -8.271 5.236 437 1HG1 ILE 61 1HG1 ILE 61 -1.309 -5.467 5.780 438 2HG1 ILE 61 2HG1 ILE 61 -1.145 -6.545 7.148 439 1HG2 ILE 61 1HG2 ILE 61 -0.358 -6.596 3.373 440 2HG2 ILE 61 2HG2 ILE 61 -1.424 -7.962 3.053 441 3HG2 ILE 61 3HG2 ILE 61 -2.114 -6.423 3.620 442 1HD1 ILE 61 1HD1 ILE 61 1.183 -5.717 5.318 443 2HD1 ILE 61 2HD1 ILE 61 0.880 -5.208 6.992 444 3HD1 ILE 61 3HD1 ILE 61 1.303 -6.901 6.649 445 H ILE 62 H ILE 62 -1.803 -10.743 4.936 446 HA ILE 62 HA ILE 62 -3.008 -10.700 2.230 447 HB ILE 62 HB ILE 62 -1.157 -12.355 3.555 448 1HG1 ILE 62 1HG1 ILE 62 -2.314 -13.151 0.827 449 2HG1 ILE 62 2HG1 ILE 62 -0.661 -13.267 1.392 450 1HG2 ILE 62 1HG2 ILE 62 -1.992 -14.701 3.263 451 2HG2 ILE 62 2HG2 ILE 62 -2.988 -13.837 4.432 452 3HG2 ILE 62 3HG2 ILE 62 -3.595 -14.092 2.780 453 1HD1 ILE 62 1HD1 ILE 62 -0.304 -10.820 1.231 454 2HD1 ILE 62 2HD1 ILE 62 -0.916 -11.467 -0.305 455 3HD1 ILE 62 3HD1 ILE 62 -2.013 -10.576 0.776 456 H GLU 63 H GLU 63 -3.953 -11.996 5.397 457 HA GLU 63 HA GLU 63 -6.455 -13.278 4.643 458 1HB GLU 63 1HB GLU 63 -6.161 -11.958 7.367 459 2HB GLU 63 2HB GLU 63 -5.103 -13.287 6.937 460 1HG GLU 63 1HG GLU 63 -7.489 -14.481 6.294 461 2HG GLU 63 2HG GLU 63 -6.762 -14.564 7.890 462 H GLU 64 H GLU 64 -5.595 -9.930 5.248 463 HA GLU 64 HA GLU 64 -8.499 -9.038 4.822 464 1HB GLU 64 1HB GLU 64 -6.507 -8.230 6.886 465 2HB GLU 64 2HB GLU 64 -7.284 -6.874 6.093 466 1HG GLU 64 1HG GLU 64 -8.940 -9.178 7.291 467 2HG GLU 64 2HG GLU 64 -8.358 -7.853 8.284 468 H VAL 65 H VAL 65 -6.501 -9.620 2.818 469 HA VAL 65 HA VAL 65 -6.812 -7.096 1.216 470 HB VAL 65 HB VAL 65 -3.990 -8.172 1.722 471 1HG1 VAL 65 1HG1 VAL 65 -3.186 -6.397 0.153 472 2HG1 VAL 65 2HG1 VAL 65 -4.252 -7.542 -0.683 473 3HG1 VAL 65 3HG1 VAL 65 -4.864 -5.934 -0.228 474 1HG2 VAL 65 1HG2 VAL 65 -5.183 -5.399 2.416 475 2HG2 VAL 65 2HG2 VAL 65 -4.720 -6.666 3.578 476 3HG2 VAL 65 3HG2 VAL 65 -3.477 -5.874 2.599 477 H ASP 66 H ASP 66 -4.836 -10.096 1.098 478 HA ASP 66 HA ASP 66 -6.030 -10.816 -1.599 479 1HB ASP 66 1HB ASP 66 -3.703 -12.216 -0.164 480 2HB ASP 66 2HB ASP 66 -3.505 -10.851 -1.239 481 H GLU 67 H GLU 67 -7.862 -10.921 0.336 482 HA GLU 67 HA GLU 67 -8.215 -13.683 1.484 483 1HB GLU 67 1HB GLU 67 -9.078 -11.471 2.538 484 2HB GLU 67 2HB GLU 67 -10.366 -11.517 1.351 485 1HG GLU 67 1HG GLU 67 -10.661 -14.062 2.369 486 2HG GLU 67 2HG GLU 67 -9.911 -13.302 3.763 487 H ASP 68 H ASP 68 -9.686 -11.654 -1.055 488 HA ASP 68 HA ASP 68 -11.262 -13.948 -2.224 489 1HB ASP 68 1HB ASP 68 -11.831 -12.139 -4.047 490 2HB ASP 68 2HB ASP 68 -11.091 -10.987 -2.959 491 H GLY 69 H GLY 69 -9.464 -11.561 -4.113 492 1HA GLY 69 1HA GLY 69 -8.240 -13.679 -5.866 493 2HA GLY 69 2HA GLY 69 -7.044 -12.843 -4.869 494 H SER 70 H SER 70 -7.554 -10.330 -4.807 495 HA SER 70 HA SER 70 -8.627 -8.901 -7.109 496 1HB SER 70 1HB SER 70 -8.293 -7.631 -5.131 497 2HB SER 70 2HB SER 70 -6.608 -8.126 -4.954 498 HG SER 70 HG SER 70 -7.765 -6.221 -6.592 499 H GLY 71 H GLY 71 -5.154 -8.928 -6.311 500 1HA GLY 71 1HA GLY 71 -3.943 -10.316 -8.498 501 2HA GLY 71 2HA GLY 71 -4.332 -8.735 -9.183 502 H THR 72 H THR 72 -3.418 -6.851 -8.285 503 HA THR 72 HA THR 72 -0.846 -7.296 -6.704 504 HB THR 72 HB THR 72 0.417 -5.848 -7.972 505 HG1 THR 72 HG1 THR 72 -0.367 -4.274 -9.226 506 1HG2 THR 72 1HG2 THR 72 -1.293 -6.629 -10.366 507 2HG2 THR 72 2HG2 THR 72 0.477 -6.588 -10.207 508 3HG2 THR 72 3HG2 THR 72 -0.457 -7.909 -9.459 509 H ILE 73 H ILE 73 -0.268 -4.522 -6.438 510 HA ILE 73 HA ILE 73 -2.611 -3.288 -5.032 511 HB ILE 73 HB ILE 73 -0.413 -4.544 -3.530 512 1HG1 ILE 73 1HG1 ILE 73 -2.483 -5.370 -2.908 513 2HG1 ILE 73 2HG1 ILE 73 -3.310 -3.840 -3.142 514 1HG2 ILE 73 1HG2 ILE 73 -0.106 -2.883 -1.732 515 2HG2 ILE 73 2HG2 ILE 73 0.408 -2.167 -3.265 516 3HG2 ILE 73 3HG2 ILE 73 -1.160 -1.711 -2.556 517 1HD1 ILE 73 1HD1 ILE 73 -2.967 -4.798 -0.663 518 2HD1 ILE 73 2HD1 ILE 73 -1.376 -4.018 -0.799 519 3HD1 ILE 73 3HD1 ILE 73 -2.856 -3.043 -0.971 520 H ASP 74 H ASP 74 -2.290 -1.037 -4.559 521 HA ASP 74 HA ASP 74 -0.192 0.295 -6.358 522 1HB ASP 74 1HB ASP 74 -2.070 2.140 -6.610 523 2HB ASP 74 2HB ASP 74 -2.040 0.726 -7.637 524 H PHE 75 H PHE 75 -0.176 2.757 -5.816 525 HA PHE 75 HA PHE 75 0.959 3.042 -3.101 526 1HB PHE 75 1HB PHE 75 0.310 5.241 -5.153 527 2HB PHE 75 2HB PHE 75 1.762 4.275 -5.181 528 HD1 PHE 75 HD1 PHE 75 1.228 4.638 -1.725 529 HD2 PHE 75 HD2 PHE 75 2.350 6.999 -5.143 530 HE1 PHE 75 HE1 PHE 75 2.054 6.418 -0.239 531 HE2 PHE 75 HE2 PHE 75 3.298 8.703 -3.639 532 HZ PHE 75 HZ PHE 75 3.091 8.451 -1.192 533 H GLU 76 H GLU 76 -2.147 3.662 -4.608 534 HA GLU 76 HA GLU 76 -3.258 5.568 -2.675 535 1HB GLU 76 1HB GLU 76 -5.469 5.070 -3.665 536 2HB GLU 76 2HB GLU 76 -4.828 3.666 -4.495 537 1HG GLU 76 1HG GLU 76 -3.449 5.062 -5.987 538 2HG GLU 76 2HG GLU 76 -5.106 5.638 -6.015 539 H GLU 77 H GLU 77 -4.348 2.212 -3.199 540 HA GLU 77 HA GLU 77 -5.585 1.688 -0.650 541 1HB GLU 77 1HB GLU 77 -4.191 -0.271 -2.539 542 2HB GLU 77 2HB GLU 77 -5.893 0.145 -2.499 543 1HG GLU 77 1HG GLU 77 -4.319 -1.668 -0.626 544 2HG GLU 77 2HG GLU 77 -5.701 -0.823 0.051 545 H PHE 78 H PHE 78 -2.208 1.672 -1.623 546 HA PHE 78 HA PHE 78 -0.966 0.284 0.583 547 1HB PHE 78 1HB PHE 78 0.003 2.343 -1.419 548 2HB PHE 78 2HB PHE 78 0.473 0.675 -1.227 549 HD1 PHE 78 HD1 PHE 78 0.682 3.951 0.718 550 HD2 PHE 78 HD2 PHE 78 2.613 0.243 -0.295 551 HE1 PHE 78 HE1 PHE 78 2.685 4.639 1.972 552 HE2 PHE 78 HE2 PHE 78 4.597 0.936 0.986 553 HZ PHE 78 HZ PHE 78 4.656 3.151 2.079 554 H LEU 79 H LEU 79 -1.735 3.745 0.175 555 HA LEU 79 HA LEU 79 -0.689 4.693 2.777 556 1HB LEU 79 1HB LEU 79 -2.283 6.701 2.304 557 2HB LEU 79 2HB LEU 79 -2.693 5.910 0.797 558 HG LEU 79 HG LEU 79 -0.222 5.981 0.126 559 1HD1 LEU 79 1HD1 LEU 79 -0.235 8.406 -0.475 560 2HD1 LEU 79 2HD1 LEU 79 -1.840 7.693 -0.724 561 3HD1 LEU 79 3HD1 LEU 79 -1.537 8.718 0.701 562 1HD2 LEU 79 1HD2 LEU 79 0.078 7.767 2.633 563 2HD2 LEU 79 2HD2 LEU 79 0.851 6.183 2.372 564 3HD2 LEU 79 3HD2 LEU 79 1.303 7.559 1.355 565 H VAL 80 H VAL 80 -3.738 3.384 1.599 566 HA VAL 80 HA VAL 80 -5.477 4.132 3.822 567 HB VAL 80 HB VAL 80 -5.779 1.826 1.833 568 1HG1 VAL 80 1HG1 VAL 80 -7.271 4.522 1.859 569 2HG1 VAL 80 2HG1 VAL 80 -5.820 4.233 0.891 570 3HG1 VAL 80 3HG1 VAL 80 -7.286 3.274 0.586 571 1HG2 VAL 80 1HG2 VAL 80 -8.138 1.619 2.467 572 2HG2 VAL 80 2HG2 VAL 80 -7.181 1.426 3.954 573 3HG2 VAL 80 3HG2 VAL 80 -8.012 2.956 3.637 574 H MET 81 H MET 81 -3.291 1.427 3.237 575 HA MET 81 HA MET 81 -4.178 -0.294 5.481 576 1HB MET 81 1HB MET 81 -2.790 -1.862 4.624 577 2HB MET 81 2HB MET 81 -2.678 -0.785 3.244 578 1HG MET 81 1HG MET 81 -0.487 -0.008 3.835 579 2HG MET 81 2HG MET 81 -0.653 -0.496 5.530 580 1HE MET 81 1HE MET 81 1.281 -3.495 5.716 581 2HE MET 81 2HE MET 81 2.097 -2.121 4.912 582 3HE MET 81 3HE MET 81 0.911 -1.814 6.215 583 H MET 82 H MET 82 -1.546 2.042 4.973 584 HA MET 82 HA MET 82 -0.026 1.627 7.403 585 1HB MET 82 1HB MET 82 0.899 3.925 7.082 586 2HB MET 82 2HB MET 82 -0.347 4.286 5.902 587 1HG MET 82 1HG MET 82 1.217 3.645 4.347 588 2HG MET 82 2HG MET 82 0.755 1.987 4.764 589 1HE MET 82 1HE MET 82 1.772 0.564 6.600 590 2HE MET 82 2HE MET 82 3.446 0.725 7.210 591 3HE MET 82 3HE MET 82 2.132 1.683 7.952 592 H VAL 83 H VAL 83 -2.269 4.342 6.763 593 HA VAL 83 HA VAL 83 -2.610 5.356 9.403 594 HB VAL 83 HB VAL 83 -4.659 5.321 7.134 595 1HG1 VAL 83 1HG1 VAL 83 -5.906 7.114 8.350 596 2HG1 VAL 83 2HG1 VAL 83 -5.918 5.608 9.278 597 3HG1 VAL 83 3HG1 VAL 83 -4.834 6.933 9.763 598 1HG2 VAL 83 1HG2 VAL 83 -2.826 7.598 8.142 599 2HG2 VAL 83 2HG2 VAL 83 -2.621 6.695 6.623 600 3HG2 VAL 83 3HG2 VAL 83 -4.040 7.728 6.843 601 NH1 ARG 84 NH1 ARG 84 -8.037 -3.473 5.660 602 NH2 ARG 84 NH2 ARG 84 -8.332 -1.708 4.259 603 H ARG 84 H ARG 84 -4.102 2.565 7.842 604 HA ARG 84 HA ARG 84 -6.240 1.834 9.663 605 1HB ARG 84 1HB ARG 84 -5.078 0.645 7.406 606 2HB ARG 84 2HB ARG 84 -4.609 -0.466 8.686 607 1HG ARG 84 1HG ARG 84 -7.083 -0.541 9.437 608 2HG ARG 84 2HG ARG 84 -7.485 0.356 7.971 609 1HD ARG 84 1HD ARG 84 -5.814 -2.199 7.716 610 2HD ARG 84 2HD ARG 84 -7.549 -2.341 7.992 611 HE ARG 84 HE ARG 84 -6.639 -0.593 5.675 612 1HH1 ARG 84 1HH1 ARG 84 -8.577 -4.010 4.973 613 2HH1 ARG 84 2HH1 ARG 84 -7.671 -3.813 6.556 614 1HH2 ARG 84 1HH2 ARG 84 -8.104 -0.734 4.032 615 2HH2 ARG 84 2HH2 ARG 84 -8.947 -2.336 3.729 616 H GLN 85 H GLN 85 -2.811 0.780 9.689 617 HA GLN 85 HA GLN 85 -2.942 -0.828 12.135 618 1HB GLN 85 1HB GLN 85 -0.809 0.103 10.289 619 2HB GLN 85 2HB GLN 85 -0.270 0.077 11.958 620 1HG GLN 85 1HG GLN 85 -0.090 -2.085 10.347 621 2HG GLN 85 2HG GLN 85 -1.722 -2.389 10.906 622 1HE2 GLN 85 1HE2 GLN 85 -0.627 -3.087 14.344 623 2HE2 GLN 85 2HE2 GLN 85 -1.951 -2.207 13.428 624 H MET 86 H MET 86 -2.101 2.555 11.488 625 HA MET 86 HA MET 86 -0.970 3.414 13.966 626 1HB MET 86 1HB MET 86 -2.285 4.786 11.691 627 2HB MET 86 2HB MET 86 -2.587 5.612 13.208 628 1HG MET 86 1HG MET 86 0.289 4.846 12.917 629 2HG MET 86 2HG MET 86 -0.288 5.891 11.610 630 1HE MET 86 1HE MET 86 1.830 6.854 12.869 631 2HE MET 86 2HE MET 86 1.462 8.486 13.500 632 3HE MET 86 3HE MET 86 1.819 7.152 14.635 633 H LYS 87 H LYS 87 -4.409 3.288 13.034 634 HA LYS 87 HA LYS 87 -5.650 4.230 15.469 635 1HB LYS 87 1HB LYS 87 -7.066 3.939 13.547 636 2HB LYS 87 2HB LYS 87 -6.647 2.250 13.353 637 1HG LYS 87 1HG LYS 87 -7.943 1.623 15.353 638 2HG LYS 87 2HG LYS 87 -8.184 3.299 15.802 639 1HD LYS 87 1HD LYS 87 -10.274 2.780 14.840 640 2HD LYS 87 2HD LYS 87 -9.438 3.548 13.500 641 1HE LYS 87 1HE LYS 87 -8.773 0.759 13.269 642 2HE LYS 87 2HE LYS 87 -10.497 0.802 13.643 643 1HZ LYS 87 1HZ LYS 87 -9.084 1.906 11.309 644 2HZ LYS 87 2HZ LYS 87 -10.495 1.050 11.373 645 3HZ LYS 87 3HZ LYS 87 -10.481 2.650 11.785 646 H GLU 88 H GLU 88 -4.769 0.903 14.495 647 HA GLU 88 HA GLU 88 -5.566 -0.622 16.765 648 1HB GLU 88 1HB GLU 88 -3.783 -1.038 14.528 649 2HB GLU 88 2HB GLU 88 -2.958 -1.605 15.966 650 1HG GLU 88 1HG GLU 88 -4.319 -3.379 14.734 651 2HG GLU 88 2HG GLU 88 -4.667 -3.255 16.450 652 H ASP 89 H ASP 89 -2.621 1.317 16.308 653 HA ASP 89 HA ASP 89 -0.919 2.099 17.806 654 1HB ASP 89 1HB ASP 89 -2.700 1.851 20.229 655 2HB ASP 89 2HB ASP 89 -3.304 2.849 18.927 656 H ALA 90 H ALA 90 -0.506 1.420 20.511 657 HA ALA 90 HA ALA 90 -0.085 -1.616 20.519 658 1HB ALA 90 1HB ALA 90 2.089 0.173 21.709 659 2HB ALA 90 2HB ALA 90 2.208 -1.489 21.097 660 3HB ALA 90 3HB ALA 90 2.095 -0.128 19.954 No H/Q in entry = 660
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