NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3337 | 1djm | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H MET 1 20.616 -12.841 3.502 2 2H MET 1 2HN MET 1 19.438 -12.463 2.406 3 3H MET 1 3HN MET 1 19.188 -13.663 3.487 4 HA MET 1 HA MET 1 20.909 -13.587 1.150 5 1HB MET 1 2HB MET 1 21.159 -15.531 3.449 6 2HB MET 1 3HB MET 1 21.706 -15.897 1.812 7 1HG MET 1 2HG MET 1 23.199 -13.894 1.923 8 2HG MET 1 3HG MET 1 22.703 -13.674 3.605 9 1HE MET 1 1HE MET 1 25.752 -14.125 2.294 10 2HE MET 1 2HE MET 1 25.440 -13.642 3.977 11 3HE MET 1 3HE MET 1 26.473 -15.046 3.632 12 H ALA 2 H ALA 2 19.390 -16.562 2.508 13 HA ALA 2 HA ALA 2 17.935 -16.812 -0.032 14 1HB ALA 2 1HB ALA 2 17.519 -19.101 0.742 15 2HB ALA 2 2HB ALA 2 19.244 -18.712 0.829 16 3HB ALA 2 3HB ALA 2 18.258 -18.729 2.314 17 H ASP 3 H ASP 3 16.896 -14.746 1.054 18 HA ASP 3 HA ASP 3 14.966 -15.193 3.191 19 1HB ASP 3 1HB ASP 3 15.617 -12.712 1.536 20 2HB ASP 3 2HB ASP 3 14.661 -12.735 3.013 21 H LYS 4 H LYS 4 12.736 -13.934 2.830 22 HA LYS 4 HA LYS 4 11.418 -14.708 0.299 23 1HB LYS 4 1HB LYS 4 10.610 -13.460 2.901 24 2HB LYS 4 2HB LYS 4 9.821 -12.784 1.489 25 1HG LYS 4 1HG LYS 4 8.430 -14.448 2.379 26 2HG LYS 4 2HG LYS 4 9.001 -14.986 0.812 27 1HD LYS 4 1HD LYS 4 10.193 -15.916 3.456 28 2HD LYS 4 2HD LYS 4 8.854 -16.718 2.617 29 1HE LYS 4 1HE LYS 4 10.457 -16.793 0.559 30 2HE LYS 4 2HE LYS 4 11.743 -16.457 1.730 31 1HZ LYS 4 1HZ LYS 4 11.652 -18.718 1.553 32 2HZ LYS 4 2HZ LYS 4 10.788 -18.460 2.948 33 3HZ LYS 4 3HZ LYS 4 10.001 -18.791 1.531 34 H GLU 5 H GLU 5 13.602 -12.324 1.195 35 HA GLU 5 HA GLU 5 14.190 -10.278 0.554 36 1HB GLU 5 1HB GLU 5 14.835 -11.859 -1.389 37 2HB GLU 5 2HB GLU 5 13.549 -11.048 -2.300 38 1HG GLU 5 1HG GLU 5 14.687 -8.829 -1.659 39 2HG GLU 5 2HG GLU 5 15.979 -9.782 -0.944 40 H LEU 6 H LEU 6 11.572 -10.357 1.497 41 HA LEU 6 HA LEU 6 9.557 -9.790 -0.231 42 1HB LEU 6 1HB LEU 6 9.411 -10.573 2.152 43 2HB LEU 6 2HB LEU 6 9.672 -8.911 2.673 44 HG LEU 6 HG LEU 6 7.623 -8.801 0.665 45 1HD1 LEU 6 1HD1 LEU 6 5.924 -10.355 1.462 46 2HD1 LEU 6 2HD1 LEU 6 7.370 -11.234 0.948 47 3HD1 LEU 6 3HD1 LEU 6 7.036 -10.996 2.670 48 1HD2 LEU 6 1HD2 LEU 6 6.196 -8.121 2.580 49 2HD2 LEU 6 2HD2 LEU 6 7.505 -8.579 3.689 50 3HD2 LEU 6 3HD2 LEU 6 7.751 -7.269 2.514 51 H LYS 7 H LYS 7 9.333 -8.114 -1.627 52 HA LYS 7 HA LYS 7 10.431 -5.495 -0.868 53 1HB LYS 7 1HB LYS 7 10.821 -6.622 -3.123 54 2HB LYS 7 2HB LYS 7 9.140 -6.240 -3.513 55 1HG LYS 7 1HG LYS 7 9.569 -3.852 -3.154 56 2HG LYS 7 2HG LYS 7 11.224 -4.155 -2.648 57 1HD LYS 7 1HD LYS 7 10.250 -5.101 -5.340 58 2HD LYS 7 2HD LYS 7 10.632 -3.401 -5.112 59 1HE LYS 7 1HE LYS 7 12.595 -5.627 -4.542 60 2HE LYS 7 2HE LYS 7 12.417 -4.866 -6.131 61 1HZ LYS 7 1HZ LYS 7 14.164 -3.782 -5.061 62 2HZ LYS 7 2HZ LYS 7 12.919 -2.727 -4.972 63 3HZ LYS 7 3HZ LYS 7 13.370 -3.615 -3.653 64 H PHE 8 H PHE 8 9.250 -3.777 -0.325 65 HA PHE 8 HA PHE 8 6.271 -3.837 -0.269 66 1HB PHE 8 1HB PHE 8 8.401 -1.859 0.662 67 2HB PHE 8 2HB PHE 8 6.694 -1.487 0.656 68 HD1 PHE 8 1HD PHE 8 5.418 -1.903 2.514 69 HD2 PHE 8 2HD PHE 8 9.132 -4.044 2.089 70 HE1 PHE 8 1HE PHE 8 5.066 -2.903 4.730 71 HE2 PHE 8 2HE PHE 8 8.806 -5.013 4.315 72 HZ PHE 8 HZ PHE 8 6.787 -4.440 5.677 73 H LEU 9 H LEU 9 5.087 -2.616 -1.835 74 HA LEU 9 HA LEU 9 6.666 -0.776 -3.544 75 1HB LEU 9 1HB LEU 9 5.223 -2.633 -4.704 76 2HB LEU 9 2HB LEU 9 3.844 -1.765 -4.065 77 HG LEU 9 HG LEU 9 4.690 0.297 -5.259 78 1HD1 LEU 9 1HD1 LEU 9 7.073 -0.251 -5.558 79 2HD1 LEU 9 2HD1 LEU 9 6.643 -1.635 -6.580 80 3HD1 LEU 9 3HD1 LEU 9 6.309 0.022 -7.111 81 1HD2 LEU 9 1HD2 LEU 9 3.951 -0.505 -7.485 82 2HD2 LEU 9 2HD2 LEU 9 4.130 -2.185 -6.938 83 3HD2 LEU 9 3HD2 LEU 9 2.914 -1.125 -6.191 84 H VAL 10 H VAL 10 6.113 1.401 -3.347 85 HA VAL 10 HA VAL 10 3.715 2.110 -1.760 86 HB VAL 10 HB VAL 10 6.467 3.345 -1.435 87 1HG1 VAL 10 1HG1 VAL 10 4.659 4.942 -1.017 88 2HG1 VAL 10 2HG1 VAL 10 3.820 3.774 0.022 89 3HG1 VAL 10 3HG1 VAL 10 5.370 4.456 0.532 90 1HG2 VAL 10 1HG2 VAL 10 5.023 1.467 0.474 91 2HG2 VAL 10 2HG2 VAL 10 6.542 1.141 -0.387 92 3HG2 VAL 10 3HG2 VAL 10 6.492 2.397 0.846 93 H VAL 11 H VAL 11 2.501 2.914 -3.482 94 HA VAL 11 HA VAL 11 3.864 4.784 -5.379 95 HB VAL 11 HB VAL 11 1.310 3.246 -6.036 96 1HG1 VAL 11 1HG1 VAL 11 3.380 4.703 -7.713 97 2HG1 VAL 11 2HG1 VAL 11 1.986 3.791 -8.332 98 3HG1 VAL 11 3HG1 VAL 11 1.733 5.245 -7.365 99 1HG2 VAL 11 1HG2 VAL 11 2.862 1.768 -7.380 100 2HG2 VAL 11 2HG2 VAL 11 4.206 2.424 -6.436 101 3HG2 VAL 11 3HG2 VAL 11 2.882 1.520 -5.643 102 H ASP 12 H ASP 12 3.595 6.579 -4.009 103 HA ASP 12 HA ASP 12 0.800 7.304 -3.405 104 1HB ASP 12 1HB ASP 12 2.513 7.496 -1.610 105 2HB ASP 12 2HB ASP 12 3.266 8.794 -2.526 106 H ASP 13 H ASP 13 0.341 9.675 -3.754 107 HA ASP 13 HA ASP 13 0.788 10.656 -6.411 108 1HB ASP 13 1HB ASP 13 -1.242 11.152 -5.190 109 2HB ASP 13 2HB ASP 13 -0.340 11.805 -3.827 110 H PHE 14 H PHE 14 2.393 11.054 -3.276 111 HA PHE 14 HA PHE 14 4.078 13.296 -4.260 112 1HB PHE 14 1HB PHE 14 2.226 13.932 -2.757 113 2HB PHE 14 2HB PHE 14 2.696 12.694 -1.615 114 HD1 PHE 14 1HD PHE 14 4.959 15.219 -3.300 115 HD2 PHE 14 2HD PHE 14 3.021 13.888 0.324 116 HE1 PHE 14 1HE PHE 14 6.182 16.935 -1.998 117 HE2 PHE 14 2HE PHE 14 4.240 15.609 1.606 118 HZ PHE 14 HZ PHE 14 5.810 17.153 0.448 119 H SER 15 H SER 15 6.175 12.500 -4.477 120 HA SER 15 HA SER 15 7.128 10.125 -3.658 121 1HB SER 15 1HB SER 15 8.976 12.507 -3.595 122 2HB SER 15 2HB SER 15 9.254 10.895 -4.269 123 HG SER 15 HG SER 15 8.019 11.407 -6.011 124 H THR 16 H THR 16 7.204 13.103 -1.651 125 HA THR 16 HA THR 16 8.815 12.238 0.476 126 HB THR 16 HB THR 16 6.466 14.103 0.303 127 HG1 THR 16 1HG THR 16 8.983 15.037 0.817 128 1HG2 THR 16 1HG2 THR 16 8.424 13.778 2.615 129 2HG2 THR 16 2HG2 THR 16 7.315 15.161 2.395 130 3HG2 THR 16 3HG2 THR 16 6.658 13.551 2.662 131 H MET 17 H MET 17 5.352 11.437 -0.201 132 HA MET 17 HA MET 17 4.785 10.291 2.342 133 1HB MET 17 1HB MET 17 3.337 10.941 0.182 134 2HB MET 17 2HB MET 17 3.598 9.239 -0.197 135 1HG MET 17 1HG MET 17 2.376 10.376 2.339 136 2HG MET 17 2HG MET 17 1.464 9.734 0.976 137 1HE MET 17 1HE MET 17 2.969 6.820 0.339 138 2HE MET 17 2HE MET 17 1.784 5.912 1.292 139 3HE MET 17 3HE MET 17 1.236 7.271 0.311 140 H ARG 18 H ARG 18 6.362 8.991 -0.668 141 HA ARG 18 HA ARG 18 6.458 6.284 0.329 142 1HB ARG 18 1HB ARG 18 6.613 6.729 -2.044 143 2HB ARG 18 2HB ARG 18 8.090 7.656 -1.854 144 1HG ARG 18 1HG ARG 18 8.058 4.805 -0.861 145 2HG ARG 18 2HG ARG 18 8.023 5.064 -2.597 146 1HD ARG 18 1HD ARG 18 10.201 6.090 -0.726 147 2HD ARG 18 2HD ARG 18 10.293 4.659 -1.767 148 HE ARG 18 HE ARG 18 9.567 7.028 -3.256 149 1HH1 ARG 18 2HH2 ARG 18 12.458 5.099 -2.274 150 2HH1 ARG 18 1HH2 ARG 18 13.407 5.800 -3.530 151 1HH2 ARG 18 2HH1 ARG 18 10.773 7.797 -4.777 152 2HH2 ARG 18 1HH1 ARG 18 12.454 7.405 -5.029 153 H ARG 19 H ARG 19 8.592 9.111 0.642 154 HA ARG 19 HA ARG 19 10.742 7.643 1.947 155 1HB ARG 19 1HB ARG 19 9.997 10.600 2.167 156 2HB ARG 19 2HB ARG 19 11.315 9.846 3.035 157 1HG ARG 19 1HG ARG 19 12.273 10.867 1.168 158 2HG ARG 19 2HG ARG 19 12.345 9.125 0.857 159 1HD ARG 19 1HD ARG 19 10.733 9.242 -0.847 160 2HD ARG 19 2HD ARG 19 9.963 10.646 -0.106 161 HE ARG 19 HE ARG 19 11.325 12.109 -1.130 162 1HH1 ARG 19 2HH2 ARG 19 12.272 8.861 -2.111 163 2HH1 ARG 19 1HH2 ARG 19 13.623 9.364 -3.063 164 1HH2 ARG 19 2HH1 ARG 19 13.252 12.781 -2.112 165 2HH2 ARG 19 1HH1 ARG 19 14.009 11.755 -3.293 166 H ILE 20 H ILE 20 7.915 9.470 3.176 167 HA ILE 20 HA ILE 20 8.414 9.085 5.900 168 HB ILE 20 HB ILE 20 6.115 9.984 4.251 169 1HG1 ILE 20 1HG1 ILE 20 6.114 11.798 5.959 170 2HG1 ILE 20 2HG1 ILE 20 7.348 10.948 6.885 171 1HG2 ILE 20 1HG2 ILE 20 5.712 9.061 7.115 172 2HG2 ILE 20 2HG2 ILE 20 4.576 10.053 6.166 173 3HG2 ILE 20 3HG2 ILE 20 4.913 8.400 5.668 174 1HD1 ILE 20 1HD1 ILE 20 7.661 12.114 4.104 175 2HD1 ILE 20 2HD1 ILE 20 8.301 12.797 5.596 176 3HD1 ILE 20 3HD1 ILE 20 8.947 11.269 4.982 177 H VAL 21 H VAL 21 6.167 7.158 3.846 178 HA VAL 21 HA VAL 21 5.614 5.184 5.749 179 HB VAL 21 HB VAL 21 5.737 5.105 2.705 180 1HG1 VAL 21 1HG1 VAL 21 5.891 2.781 3.353 181 2HG1 VAL 21 2HG1 VAL 21 4.591 2.971 4.555 182 3HG1 VAL 21 3HG1 VAL 21 4.255 3.099 2.811 183 1HG2 VAL 21 1HG2 VAL 21 3.294 5.304 2.875 184 2HG2 VAL 21 2HG2 VAL 21 3.378 5.275 4.644 185 3HG2 VAL 21 3HG2 VAL 21 4.084 6.619 3.737 186 H ARG 22 H ARG 22 8.262 5.149 3.252 187 HA ARG 22 HA ARG 22 9.378 2.657 3.953 188 1HB ARG 22 1HB ARG 22 10.049 3.944 1.963 189 2HB ARG 22 2HB ARG 22 10.687 5.230 2.992 190 1HG ARG 22 1HG ARG 22 12.313 3.473 3.947 191 2HG ARG 22 2HG ARG 22 11.826 2.427 2.641 192 1HD ARG 22 1HD ARG 22 12.948 3.701 1.066 193 2HD ARG 22 2HD ARG 22 12.580 5.232 1.859 194 HE ARG 22 HE ARG 22 14.199 4.764 3.557 195 1HH1 ARG 22 2HH2 ARG 22 14.715 3.339 0.360 196 2HH1 ARG 22 1HH2 ARG 22 16.291 2.704 0.708 197 1HH2 ARG 22 2HH1 ARG 22 16.265 3.815 4.098 198 2HH2 ARG 22 1HH1 ARG 22 17.209 3.051 2.851 199 H ASN 23 H ASN 23 10.064 5.915 5.324 200 HA ASN 23 HA ASN 23 12.142 5.004 7.062 201 1HB ASN 23 1HB ASN 23 11.932 7.364 6.447 202 2HB ASN 23 2HB ASN 23 10.359 7.444 7.207 203 1HD2 ASN 23 1HD2 ASN 23 10.347 8.160 9.343 204 2HD2 ASN 23 2HD2 ASN 23 11.784 8.266 10.341 205 H LEU 24 H LEU 24 8.608 5.526 7.613 206 HA LEU 24 HA LEU 24 8.636 4.792 10.388 207 1HB LEU 24 1HB LEU 24 6.434 4.524 8.313 208 2HB LEU 24 2HB LEU 24 6.192 4.351 10.046 209 HG LEU 24 HG LEU 24 7.273 6.916 8.833 210 1HD1 LEU 24 1HD1 LEU 24 5.219 6.482 7.721 211 2HD1 LEU 24 2HD1 LEU 24 4.388 6.072 9.239 212 3HD1 LEU 24 3HD1 LEU 24 4.913 7.744 8.920 213 1HD2 LEU 24 1HD2 LEU 24 7.580 6.735 11.274 214 2HD2 LEU 24 2HD2 LEU 24 6.452 8.020 10.824 215 3HD2 LEU 24 3HD2 LEU 24 5.840 6.496 11.453 216 H LEU 25 H LEU 25 8.212 2.844 7.397 217 HA LEU 25 HA LEU 25 7.834 0.309 8.662 218 1HB LEU 25 1HB LEU 25 8.918 1.225 5.980 219 2HB LEU 25 2HB LEU 25 8.958 -0.468 6.404 220 HG LEU 25 HG LEU 25 6.370 1.132 6.552 221 1HD1 LEU 25 1HD1 LEU 25 7.288 1.295 4.265 222 2HD1 LEU 25 2HD1 LEU 25 7.418 -0.473 4.191 223 3HD1 LEU 25 3HD1 LEU 25 5.820 0.305 4.325 224 1HD2 LEU 25 1HD2 LEU 25 7.068 -1.833 6.405 225 2HD2 LEU 25 2HD2 LEU 25 6.244 -0.984 7.730 226 3HD2 LEU 25 3HD2 LEU 25 5.441 -1.203 6.167 227 H LYS 26 H LYS 26 10.786 2.137 7.834 228 HA LYS 26 HA LYS 26 12.574 0.061 8.733 229 1HB LYS 26 1HB LYS 26 12.766 2.871 7.740 230 2HB LYS 26 2HB LYS 26 14.018 2.429 8.882 231 1HG LYS 26 1HG LYS 26 13.338 0.639 6.510 232 2HG LYS 26 2HG LYS 26 14.465 1.998 6.372 233 1HD LYS 26 1HD LYS 26 15.825 1.111 8.220 234 2HD LYS 26 2HD LYS 26 14.727 -0.260 8.407 235 1HE LYS 26 1HE LYS 26 15.276 -1.035 6.134 236 2HE LYS 26 2HE LYS 26 16.390 0.337 5.931 237 1HZ LYS 26 1HZ LYS 26 17.595 -1.641 6.664 238 2HZ LYS 26 2HZ LYS 26 17.595 -0.521 7.889 239 3HZ LYS 26 3HZ LYS 26 16.610 -1.820 7.940 240 H GLU 27 H GLU 27 11.068 2.875 10.382 241 HA GLU 27 HA GLU 27 12.423 2.568 12.869 242 1HB GLU 27 1HB GLU 27 9.526 3.419 12.375 243 2HB GLU 27 2HB GLU 27 10.371 3.571 13.894 244 1HG GLU 27 1HG GLU 27 11.129 5.041 11.339 245 2HG GLU 27 2HG GLU 27 10.207 5.697 12.674 246 H LEU 28 H LEU 28 9.510 0.963 11.537 247 HA LEU 28 HA LEU 28 9.051 -0.721 13.815 248 1HB LEU 28 1HB LEU 28 8.279 -1.078 10.896 249 2HB LEU 28 2HB LEU 28 7.769 -2.164 12.181 250 HG LEU 28 HG LEU 28 7.149 0.820 12.118 251 1HD1 LEU 28 1HD1 LEU 28 6.044 -0.331 10.265 252 2HD1 LEU 28 2HD1 LEU 28 5.409 -1.561 11.383 253 3HD1 LEU 28 3HD1 LEU 28 4.865 0.127 11.503 254 1HD2 LEU 28 1HD2 LEU 28 6.110 -1.404 13.925 255 2HD2 LEU 28 2HD2 LEU 28 7.109 -0.020 14.416 256 3HD2 LEU 28 3HD2 LEU 28 5.463 0.246 13.862 257 H GLY 29 H GLY 29 10.707 -1.480 10.690 258 1HA GLY 29 1HA GLY 29 13.000 -2.501 11.601 259 2HA GLY 29 2HA GLY 29 11.935 -3.858 11.959 260 H PHE 30 H PHE 30 10.917 -2.333 9.032 261 HA PHE 30 HA PHE 30 11.741 -4.763 7.626 262 1HB PHE 30 1HB PHE 30 10.015 -2.386 6.857 263 2HB PHE 30 2HB PHE 30 10.302 -3.761 5.808 264 HD1 PHE 30 1HD PHE 30 9.480 -6.039 6.383 265 HD2 PHE 30 2HD PHE 30 8.479 -2.580 8.773 266 HE1 PHE 30 1HE PHE 30 7.576 -7.265 7.371 267 HE2 PHE 30 2HE PHE 30 6.630 -3.851 9.818 268 HZ PHE 30 HZ PHE 30 6.149 -6.178 9.084 269 H ASN 31 H ASN 31 12.316 -4.446 5.219 270 HA ASN 31 HA ASN 31 13.829 -2.116 4.530 271 1HB ASN 31 1HB ASN 31 15.912 -3.003 4.198 272 2HB ASN 31 2HB ASN 31 15.471 -3.926 5.617 273 1HD2 ASN 31 1HD2 ASN 31 14.516 -6.262 5.124 274 2HD2 ASN 31 2HD2 ASN 31 15.165 -7.008 3.672 275 H ASN 32 H ASN 32 14.600 -2.630 2.087 276 HA ASN 32 HA ASN 32 14.158 -2.982 -0.011 277 1HB ASN 32 1HB ASN 32 14.302 -5.396 0.694 278 2HB ASN 32 2HB ASN 32 12.535 -5.430 0.634 279 1HD2 ASN 32 1HD2 ASN 32 12.873 -7.139 -1.196 280 2HD2 ASN 32 2HD2 ASN 32 13.323 -6.578 -2.754 281 H VAL 33 H VAL 33 12.995 -1.037 -0.176 282 HA VAL 33 HA VAL 33 10.096 -1.481 -0.691 283 HB VAL 33 HB VAL 33 9.574 0.697 -0.031 284 1HG1 VAL 33 1HG1 VAL 33 11.573 -0.169 2.115 285 2HG1 VAL 33 2HG1 VAL 33 10.087 0.784 2.319 286 3HG1 VAL 33 3HG1 VAL 33 9.993 -0.925 1.889 287 1HG2 VAL 33 1HG2 VAL 33 11.054 2.444 0.549 288 2HG2 VAL 33 2HG2 VAL 33 12.494 1.381 0.503 289 3HG2 VAL 33 3HG2 VAL 33 11.630 1.850 -0.976 290 H GLU 34 H GLU 34 9.207 -0.231 -2.498 291 HA GLU 34 HA GLU 34 11.101 1.113 -4.257 292 1HB GLU 34 1HB GLU 34 9.596 -1.393 -4.890 293 2HB GLU 34 2HB GLU 34 9.383 -0.130 -6.084 294 1HG GLU 34 1HG GLU 34 12.074 -1.167 -5.157 295 2HG GLU 34 2HG GLU 34 11.238 -1.627 -6.641 296 H GLU 35 H GLU 35 9.800 2.166 -6.034 297 HA GLU 35 HA GLU 35 7.249 3.341 -5.103 298 1HB GLU 35 1HB GLU 35 9.366 4.800 -4.804 299 2HB GLU 35 2HB GLU 35 9.477 4.820 -6.559 300 1HG GLU 35 1HG GLU 35 7.172 5.871 -6.607 301 2HG GLU 35 2HG GLU 35 7.218 5.932 -4.835 302 H ALA 36 H ALA 36 6.143 4.350 -7.195 303 HA ALA 36 HA ALA 36 7.004 3.219 -9.718 304 1HB ALA 36 1HB ALA 36 4.086 2.872 -8.969 305 2HB ALA 36 2HB ALA 36 4.941 2.172 -10.316 306 3HB ALA 36 3HB ALA 36 5.256 1.560 -8.684 307 H GLU 37 H GLU 37 5.630 4.192 -11.480 308 HA GLU 37 HA GLU 37 5.479 7.040 -11.040 309 1HB GLU 37 1HB GLU 37 4.689 5.283 -13.396 310 2HB GLU 37 2HB GLU 37 4.638 7.037 -13.422 311 1HG GLU 37 1HG GLU 37 7.242 6.302 -12.408 312 2HG GLU 37 2HG GLU 37 6.910 5.275 -13.797 313 H ASP 38 H ASP 38 2.999 4.462 -11.106 314 HA ASP 38 HA ASP 38 1.028 5.881 -9.790 315 1HB ASP 38 1HB ASP 38 -0.489 6.654 -11.264 316 2HB ASP 38 2HB ASP 38 0.937 7.111 -12.176 317 H GLY 39 H GLY 39 -1.188 4.567 -10.256 318 1HA GLY 39 1HA GLY 39 -1.104 1.896 -9.757 319 2HA GLY 39 2HA GLY 39 -2.400 2.696 -10.635 320 H VAL 40 H VAL 40 -1.017 3.287 -13.147 321 HA VAL 40 HA VAL 40 -1.269 0.721 -14.431 322 HB VAL 40 HB VAL 40 -0.001 3.276 -15.478 323 1HG1 VAL 40 1HG1 VAL 40 -0.970 0.790 -16.951 324 2HG1 VAL 40 2HG1 VAL 40 -0.494 2.325 -17.711 325 3HG1 VAL 40 3HG1 VAL 40 0.707 1.373 -16.843 326 1HG2 VAL 40 1HG2 VAL 40 -2.388 3.545 -14.830 327 2HG2 VAL 40 2HG2 VAL 40 -2.162 3.607 -16.583 328 3HG2 VAL 40 3HG2 VAL 40 -2.812 2.135 -15.821 329 H ASP 41 H ASP 41 1.572 2.683 -13.460 330 HA ASP 41 HA ASP 41 3.481 0.684 -14.314 331 1HB ASP 41 1HB ASP 41 3.960 3.125 -14.003 332 2HB ASP 41 2HB ASP 41 3.806 2.904 -12.267 333 H ALA 42 H ALA 42 1.733 1.345 -11.265 334 HA ALA 42 HA ALA 42 3.280 -0.104 -9.495 335 1HB ALA 42 1HB ALA 42 1.342 -0.034 -8.024 336 2HB ALA 42 2HB ALA 42 1.361 1.489 -8.945 337 3HB ALA 42 3HB ALA 42 0.243 0.192 -9.384 338 H LEU 43 H LEU 43 0.380 -1.134 -11.308 339 HA LEU 43 HA LEU 43 0.226 -3.764 -10.304 340 1HB LEU 43 1HB LEU 43 -1.431 -2.440 -11.740 341 2HB LEU 43 2HB LEU 43 -0.472 -2.943 -13.137 342 HG LEU 43 HG LEU 43 -0.827 -5.368 -12.002 343 1HD1 LEU 43 1HD1 LEU 43 -2.025 -4.390 -10.025 344 2HD1 LEU 43 2HD1 LEU 43 -3.312 -3.842 -11.117 345 3HD1 LEU 43 3HD1 LEU 43 -2.983 -5.577 -10.912 346 1HD2 LEU 43 1HD2 LEU 43 -1.537 -4.788 -14.269 347 2HD2 LEU 43 2HD2 LEU 43 -2.827 -5.674 -13.443 348 3HD2 LEU 43 3HD2 LEU 43 -2.939 -3.906 -13.638 349 H ASN 44 H ASN 44 2.037 -2.457 -13.063 350 HA ASN 44 HA ASN 44 3.055 -5.012 -13.932 351 1HB ASN 44 1HB ASN 44 2.702 -2.978 -15.335 352 2HB ASN 44 2HB ASN 44 4.086 -2.222 -14.524 353 1HD2 ASN 44 1HD2 ASN 44 5.679 -2.245 -16.080 354 2HD2 ASN 44 2HD2 ASN 44 6.170 -3.674 -17.007 355 H LYS 45 H LYS 45 4.154 -2.622 -11.553 356 HA LYS 45 HA LYS 45 6.790 -3.786 -11.097 357 1HB LYS 45 1HB LYS 45 5.043 -2.318 -9.109 358 2HB LYS 45 2HB LYS 45 6.735 -2.691 -8.940 359 1HG LYS 45 1HG LYS 45 6.156 -1.184 -11.433 360 2HG LYS 45 2HG LYS 45 5.634 -0.351 -9.971 361 1HD LYS 45 1HD LYS 45 7.925 -0.593 -9.046 362 2HD LYS 45 2HD LYS 45 8.424 -1.397 -10.561 363 1HE LYS 45 1HE LYS 45 7.890 0.573 -11.877 364 2HE LYS 45 2HE LYS 45 7.056 1.324 -10.526 365 1HZ LYS 45 1HZ LYS 45 9.159 1.554 -9.397 366 2HZ LYS 45 2HZ LYS 45 9.964 0.928 -10.736 367 3HZ LYS 45 3HZ LYS 45 9.141 2.343 -10.823 368 H LEU 46 H LEU 46 3.476 -4.434 -9.755 369 HA LEU 46 HA LEU 46 4.300 -6.464 -7.930 370 1HB LEU 46 1HB LEU 46 1.722 -6.853 -9.473 371 2HB LEU 46 2HB LEU 46 2.065 -7.223 -7.795 372 HG LEU 46 HG LEU 46 1.744 -4.499 -9.017 373 1HD1 LEU 46 1HD1 LEU 46 -0.325 -5.836 -8.915 374 2HD1 LEU 46 2HD1 LEU 46 -0.175 -5.836 -7.144 375 3HD1 LEU 46 3HD1 LEU 46 -0.339 -4.304 -8.036 376 1HD2 LEU 46 1HD2 LEU 46 1.789 -3.506 -6.876 377 2HD2 LEU 46 2HD2 LEU 46 1.916 -5.087 -6.056 378 3HD2 LEU 46 3HD2 LEU 46 3.265 -4.448 -7.017 379 H GLN 47 H GLN 47 3.372 -6.645 -11.345 380 HA GLN 47 HA GLN 47 4.133 -9.406 -11.695 381 1HB GLN 47 1HB GLN 47 3.583 -7.213 -13.733 382 2HB GLN 47 2HB GLN 47 3.742 -8.937 -14.080 383 1HG GLN 47 1HG GLN 47 1.848 -9.363 -12.421 384 2HG GLN 47 2HG GLN 47 1.584 -7.622 -12.386 385 1HE2 GLN 47 1HE2 GLN 47 1.446 -10.534 -14.440 386 2HE2 GLN 47 2HE2 GLN 47 0.497 -9.768 -15.730 387 H ALA 48 H ALA 48 6.312 -7.110 -10.906 388 HA ALA 48 HA ALA 48 8.444 -8.051 -12.705 389 1HB ALA 48 1HB ALA 48 8.708 -6.659 -10.014 390 2HB ALA 48 2HB ALA 48 9.944 -6.855 -11.267 391 3HB ALA 48 3HB ALA 48 8.552 -5.795 -11.565 392 H GLY 49 H GLY 49 6.537 -9.477 -10.256 393 1HA GLY 49 1HA GLY 49 7.711 -11.922 -10.381 394 2HA GLY 49 2HA GLY 49 8.591 -11.157 -9.051 395 H GLY 50 H GLY 50 7.363 -10.268 -7.277 396 1HA GLY 50 1HA GLY 50 4.661 -10.918 -6.696 397 2HA GLY 50 2HA GLY 50 5.717 -12.225 -6.107 398 H TYR 51 H TYR 51 4.691 -8.959 -5.679 399 HA TYR 51 HA TYR 51 6.792 -8.113 -3.805 400 1HB TYR 51 1HB TYR 51 4.312 -6.932 -5.045 401 2HB TYR 51 2HB TYR 51 4.841 -6.285 -3.514 402 HD1 TYR 51 1HD TYR 51 6.437 -7.203 -6.866 403 HD2 TYR 51 2HD TYR 51 6.261 -4.512 -3.502 404 HE1 TYR 51 1HE TYR 51 8.077 -5.718 -7.958 405 HE2 TYR 51 2HE TYR 51 7.810 -2.963 -4.656 406 HH TYR 51 HH TYR 51 9.146 -3.597 -7.930 407 H GLY 52 H GLY 52 6.039 -7.294 -1.599 408 1HA GLY 52 1HA GLY 52 4.407 -9.413 -0.272 409 2HA GLY 52 2HA GLY 52 5.547 -8.303 0.478 410 H PHE 53 H PHE 53 4.406 -5.882 -0.876 411 HA PHE 53 HA PHE 53 1.717 -5.679 0.284 412 1HB PHE 53 1HB PHE 53 3.990 -3.807 1.086 413 2HB PHE 53 2HB PHE 53 2.302 -3.642 1.534 414 HD1 PHE 53 1HD PHE 53 1.276 -5.153 3.224 415 HD2 PHE 53 2HD PHE 53 5.469 -5.318 2.254 416 HE1 PHE 53 1HE PHE 53 1.718 -6.558 5.248 417 HE2 PHE 53 2HE PHE 53 5.895 -6.594 4.335 418 HZ PHE 53 HZ PHE 53 4.019 -7.274 5.794 419 H VAL 54 H VAL 54 0.539 -4.071 -0.716 420 HA VAL 54 HA VAL 54 1.883 -2.525 -2.886 421 HB VAL 54 HB VAL 54 -1.011 -3.453 -2.966 422 1HG1 VAL 54 1HG1 VAL 54 -0.483 -1.875 -4.670 423 2HG1 VAL 54 2HG1 VAL 54 1.076 -2.671 -5.010 424 3HG1 VAL 54 3HG1 VAL 54 -0.436 -3.461 -5.455 425 1HG2 VAL 54 1HG2 VAL 54 1.348 -5.113 -3.852 426 2HG2 VAL 54 2HG2 VAL 54 0.159 -5.506 -2.586 427 3HG2 VAL 54 3HG2 VAL 54 -0.380 -5.383 -4.252 428 H ILE 55 H ILE 55 2.246 -0.725 -1.419 429 HA ILE 55 HA ILE 55 -0.139 0.204 0.040 430 HB ILE 55 HB ILE 55 2.858 0.672 0.286 431 1HG1 ILE 55 1HG1 ILE 55 1.031 0.081 2.620 432 2HG1 ILE 55 2HG1 ILE 55 1.205 -1.220 1.442 433 1HG2 ILE 55 1HG2 ILE 55 0.553 2.151 1.605 434 2HG2 ILE 55 2HG2 ILE 55 2.220 2.211 2.207 435 3HG2 ILE 55 3HG2 ILE 55 1.814 2.872 0.603 436 1HD1 ILE 55 1HD1 ILE 55 2.747 -1.556 3.283 437 2HD1 ILE 55 2HD1 ILE 55 3.591 -1.296 1.757 438 3HD1 ILE 55 3HD1 ILE 55 3.525 0.004 2.979 439 H SER 56 H SER 56 -1.266 2.131 -0.762 440 HA SER 56 HA SER 56 0.125 3.610 -2.937 441 1HB SER 56 1HB SER 56 -1.502 3.207 -4.585 442 2HB SER 56 2HB SER 56 -1.088 1.627 -3.928 443 HG SER 56 HG SER 56 -3.377 3.215 -3.326 444 H ASP 57 H ASP 57 -0.882 5.565 -3.711 445 HA ASP 57 HA ASP 57 -2.679 6.914 -1.868 446 1HB ASP 57 1HB ASP 57 -2.561 8.833 -3.155 447 2HB ASP 57 2HB ASP 57 -0.956 8.219 -3.209 448 H TRP 58 H TRP 58 -4.187 8.129 -4.092 449 HA TRP 58 HA TRP 58 -6.273 6.050 -4.492 450 1HB TRP 58 1HB TRP 58 -6.587 7.307 -2.352 451 2HB TRP 58 2HB TRP 58 -6.542 8.826 -3.242 452 HD1 TRP 58 HD TRP 58 -8.697 9.467 -4.680 453 HE1 TRP 58 1HE TRP 58 -11.048 8.470 -4.927 454 HE3 TRP 58 3HE TRP 58 -7.967 5.134 -2.111 455 HZ2 TRP 58 2HZ TRP 58 -12.448 6.050 -4.078 456 HZ3 TRP 58 3HZ TRP 58 -9.826 3.477 -1.904 457 HH2 TRP 58 HH TRP 58 -12.026 3.943 -2.849 458 H ASN 59 H ASN 59 -4.630 8.983 -5.586 459 HA ASN 59 HA ASN 59 -6.819 9.676 -7.454 460 1HB ASN 59 1HB ASN 59 -6.377 12.014 -6.943 461 2HB ASN 59 2HB ASN 59 -6.839 11.127 -5.507 462 1HD2 ASN 59 1HD2 ASN 59 -3.868 12.213 -7.256 463 2HD2 ASN 59 2HD2 ASN 59 -2.982 12.576 -5.783 464 H MET 60 H MET 60 -4.436 8.050 -7.947 465 HA MET 60 HA MET 60 -2.359 9.010 -9.286 466 1HB MET 60 1HB MET 60 -4.250 6.809 -10.213 467 2HB MET 60 2HB MET 60 -2.646 7.041 -10.862 468 1HG MET 60 1HG MET 60 -2.405 5.333 -9.328 469 2HG MET 60 2HG MET 60 -1.727 6.742 -8.515 470 1HE MET 60 1HE MET 60 -3.159 4.316 -5.756 471 2HE MET 60 2HE MET 60 -2.526 3.836 -7.344 472 3HE MET 60 3HE MET 60 -1.704 5.104 -6.405 473 HA PRO 61 HA PRO 61 -3.649 11.279 -12.916 474 1HB PRO 61 1HB PRO 61 -1.610 10.797 -14.687 475 2HB PRO 61 2HB PRO 61 -1.466 11.874 -13.264 476 1HG PRO 61 1HG PRO 61 -0.621 8.967 -13.503 477 2HG PRO 61 2HG PRO 61 0.317 10.343 -12.833 478 1HD PRO 61 1HD PRO 61 -1.045 8.654 -11.210 479 2HD PRO 61 2HD PRO 61 -1.002 10.388 -10.861 480 H ASN 62 H ASN 62 -2.993 7.771 -13.224 481 HA ASN 62 HA ASN 62 -4.912 7.712 -15.487 482 1HB ASN 62 1HB ASN 62 -2.506 7.159 -16.084 483 2HB ASN 62 2HB ASN 62 -2.636 5.744 -15.113 484 1HD2 ASN 62 1HD2 ASN 62 -3.029 6.938 -18.233 485 2HD2 ASN 62 2HD2 ASN 62 -3.945 5.612 -18.894 486 H MET 63 H MET 63 -3.675 4.880 -13.876 487 HA MET 63 HA MET 63 -6.463 4.134 -13.359 488 1HB MET 63 1HB MET 63 -4.800 2.509 -14.243 489 2HB MET 63 2HB MET 63 -3.978 2.518 -12.671 490 1HG MET 63 1HG MET 63 -6.068 1.756 -11.577 491 2HG MET 63 2HG MET 63 -6.925 1.871 -13.118 492 1HE MET 63 1HE MET 63 -7.439 0.009 -14.514 493 2HE MET 63 2HE MET 63 -6.909 -1.656 -14.211 494 3HE MET 63 3HE MET 63 -7.844 -0.794 -12.982 495 H ASP 64 H ASP 64 -7.440 5.044 -11.686 496 HA ASP 64 HA ASP 64 -6.195 6.119 -9.402 497 1HB ASP 64 1HB ASP 64 -8.276 6.776 -8.746 498 2HB ASP 64 2HB ASP 64 -8.536 6.570 -10.471 499 H GLY 65 H GLY 65 -6.663 5.515 -7.119 500 1HA GLY 65 1HA GLY 65 -5.235 3.101 -6.764 501 2HA GLY 65 2HA GLY 65 -5.927 4.076 -5.465 502 H LEU 66 H LEU 66 -8.704 3.664 -6.803 503 HA LEU 66 HA LEU 66 -9.334 1.260 -5.289 504 1HB LEU 66 1HB LEU 66 -10.645 3.546 -5.489 505 2HB LEU 66 2HB LEU 66 -11.293 2.883 -6.971 506 HG LEU 66 HG LEU 66 -12.660 2.734 -4.855 507 1HD1 LEU 66 1HD1 LEU 66 -13.234 1.304 -6.781 508 2HD1 LEU 66 2HD1 LEU 66 -12.220 0.011 -6.094 509 3HD1 LEU 66 3HD1 LEU 66 -13.651 0.598 -5.214 510 1HD2 LEU 66 1HD2 LEU 66 -10.915 0.369 -4.141 511 2HD2 LEU 66 2HD2 LEU 66 -10.739 1.972 -3.391 512 3HD2 LEU 66 3HD2 LEU 66 -12.256 1.067 -3.236 513 H GLU 67 H GLU 67 -9.046 2.310 -8.659 514 HA GLU 67 HA GLU 67 -10.027 -0.171 -9.830 515 1HB GLU 67 1HB GLU 67 -8.475 2.238 -10.836 516 2HB GLU 67 2HB GLU 67 -8.733 0.829 -11.855 517 1HG GLU 67 1HG GLU 67 -11.105 2.156 -10.515 518 2HG GLU 67 2HG GLU 67 -10.371 2.825 -11.977 519 H LEU 68 H LEU 68 -6.805 1.128 -8.905 520 HA LEU 68 HA LEU 68 -5.251 -1.086 -9.811 521 1HB LEU 68 1HB LEU 68 -4.239 1.028 -9.036 522 2HB LEU 68 2HB LEU 68 -4.843 0.737 -7.408 523 HG LEU 68 HG LEU 68 -3.407 -1.340 -7.273 524 1HD1 LEU 68 1HD1 LEU 68 -1.501 -1.528 -8.895 525 2HD1 LEU 68 2HD1 LEU 68 -3.061 -1.839 -9.661 526 3HD1 LEU 68 3HD1 LEU 68 -2.262 -0.277 -9.892 527 1HD2 LEU 68 1HD2 LEU 68 -1.990 1.302 -7.800 528 2HD2 LEU 68 2HD2 LEU 68 -2.692 0.759 -6.268 529 3HD2 LEU 68 3HD2 LEU 68 -1.301 -0.096 -6.939 530 H LEU 69 H LEU 69 -6.796 -0.471 -6.626 531 HA LEU 69 HA LEU 69 -6.279 -2.959 -5.399 532 1HB LEU 69 1HB LEU 69 -7.113 -1.288 -4.023 533 2HB LEU 69 2HB LEU 69 -8.401 -0.859 -5.107 534 HG LEU 69 HG LEU 69 -9.819 -2.566 -4.462 535 1HD1 LEU 69 1HD1 LEU 69 -7.675 -3.998 -2.827 536 2HD1 LEU 69 2HD1 LEU 69 -9.401 -4.356 -2.836 537 3HD1 LEU 69 3HD1 LEU 69 -8.449 -4.611 -4.276 538 1HD2 LEU 69 1HD2 LEU 69 -8.301 -1.649 -1.992 539 2HD2 LEU 69 2HD2 LEU 69 -9.557 -0.724 -2.790 540 3HD2 LEU 69 3HD2 LEU 69 -9.972 -2.237 -1.991 541 H LYS 70 H LYS 70 -9.253 -2.001 -7.255 542 HA LYS 70 HA LYS 70 -10.301 -4.631 -7.079 543 1HB LYS 70 1HB LYS 70 -11.014 -2.316 -8.876 544 2HB LYS 70 2HB LYS 70 -11.804 -3.903 -8.989 545 1HG LYS 70 1HG LYS 70 -12.325 -3.845 -6.560 546 2HG LYS 70 2HG LYS 70 -11.652 -2.214 -6.453 547 1HD LYS 70 1HD LYS 70 -13.374 -1.359 -7.963 548 2HD LYS 70 2HD LYS 70 -13.947 -3.015 -8.282 549 1HE LYS 70 1HE LYS 70 -14.433 -3.254 -5.821 550 2HE LYS 70 2HE LYS 70 -14.113 -1.513 -5.650 551 1HZ LYS 70 1HZ LYS 70 -16.164 -2.718 -7.403 552 2HZ LYS 70 2HZ LYS 70 -16.474 -2.050 -5.959 553 3HZ LYS 70 3HZ LYS 70 -15.918 -1.098 -7.193 554 H THR 71 H THR 71 -7.965 -3.383 -9.425 555 HA THR 71 HA THR 71 -8.143 -5.667 -11.166 556 HB THR 71 HB THR 71 -5.831 -3.751 -10.630 557 HG1 THR 71 1HG THR 71 -7.570 -2.661 -11.397 558 1HG2 THR 71 1HG2 THR 71 -5.015 -5.764 -11.765 559 2HG2 THR 71 2HG2 THR 71 -6.353 -5.721 -12.900 560 3HG2 THR 71 3HG2 THR 71 -5.120 -4.435 -12.933 561 H ILE 72 H ILE 72 -6.038 -4.968 -8.283 562 HA ILE 72 HA ILE 72 -4.711 -7.508 -8.378 563 HB ILE 72 HB ILE 72 -5.237 -5.392 -6.267 564 1HG1 ILE 72 1HG1 ILE 72 -2.510 -6.408 -7.216 565 2HG1 ILE 72 2HG1 ILE 72 -3.436 -5.337 -8.252 566 1HG2 ILE 72 1HG2 ILE 72 -3.659 -6.574 -4.728 567 2HG2 ILE 72 2HG2 ILE 72 -5.182 -7.435 -4.931 568 3HG2 ILE 72 3HG2 ILE 72 -3.734 -7.986 -5.784 569 1HD1 ILE 72 1HD1 ILE 72 -2.373 -4.727 -5.496 570 2HD1 ILE 72 2HD1 ILE 72 -2.124 -3.845 -7.013 571 3HD1 ILE 72 3HD1 ILE 72 -3.679 -3.754 -6.223 572 H ARG 73 H ARG 73 -7.681 -6.369 -6.866 573 HA ARG 73 HA ARG 73 -8.559 -8.812 -5.666 574 1HB ARG 73 1HB ARG 73 -9.425 -6.067 -5.880 575 2HB ARG 73 2HB ARG 73 -10.793 -7.062 -6.266 576 1HG ARG 73 1HG ARG 73 -9.100 -7.283 -3.735 577 2HG ARG 73 2HG ARG 73 -10.567 -6.340 -3.919 578 1HD ARG 73 1HD ARG 73 -11.444 -8.258 -2.967 579 2HD ARG 73 2HD ARG 73 -11.692 -8.574 -4.686 580 HE ARG 73 HE ARG 73 -10.087 -10.250 -4.649 581 1HH1 ARG 73 2HH2 ARG 73 -10.036 -8.610 -1.493 582 2HH1 ARG 73 1HH2 ARG 73 -8.954 -9.792 -0.803 583 1HH2 ARG 73 2HH1 ARG 73 -8.721 -11.598 -3.820 584 2HH2 ARG 73 1HH1 ARG 73 -8.073 -11.569 -2.191 585 H ALA 74 H ALA 74 -8.143 -8.410 -8.953 586 HA ALA 74 HA ALA 74 -10.604 -9.597 -9.916 587 1HB ALA 74 1HB ALA 74 -9.334 -10.032 -11.946 588 2HB ALA 74 2HB ALA 74 -9.012 -8.378 -11.394 589 3HB ALA 74 3HB ALA 74 -7.808 -9.662 -11.120 590 H ASP 75 H ASP 75 -8.034 -10.729 -8.002 591 HA ASP 75 HA ASP 75 -7.500 -12.620 -7.041 592 1HB ASP 75 1HB ASP 75 -10.345 -13.296 -7.793 593 2HB ASP 75 2HB ASP 75 -9.323 -14.493 -7.010 594 H GLY 76 H GLY 76 -7.580 -15.264 -7.510 595 1HA GLY 76 1HA GLY 76 -6.810 -16.984 -8.788 596 2HA GLY 76 2HA GLY 76 -7.003 -15.973 -10.225 597 H ALA 77 H ALA 77 -5.263 -13.857 -9.267 598 HA ALA 77 HA ALA 77 -2.557 -15.147 -9.307 599 1HB ALA 77 1HB ALA 77 -3.476 -12.643 -10.809 600 2HB ALA 77 2HB ALA 77 -1.815 -13.270 -10.738 601 3HB ALA 77 3HB ALA 77 -3.088 -14.208 -11.530 602 H MET 78 H MET 78 -3.855 -11.812 -8.927 603 HA MET 78 HA MET 78 -1.744 -11.306 -7.001 604 1HB MET 78 1HB MET 78 -3.841 -9.449 -8.138 605 2HB MET 78 2HB MET 78 -2.359 -8.982 -7.286 606 1HG MET 78 1HG MET 78 -1.020 -10.076 -9.100 607 2HG MET 78 2HG MET 78 -2.526 -10.396 -9.970 608 1HE MET 78 1HE MET 78 -1.253 -7.683 -12.319 609 2HE MET 78 2HE MET 78 -0.503 -9.152 -11.654 610 3HE MET 78 3HE MET 78 -2.200 -9.177 -12.183 611 H SER 79 H SER 79 -4.889 -12.393 -6.565 612 HA SER 79 HA SER 79 -6.315 -11.096 -4.784 613 1HB SER 79 1HB SER 79 -6.166 -13.753 -3.723 614 2HB SER 79 2HB SER 79 -7.358 -13.079 -4.814 615 HG SER 79 HG SER 79 -4.898 -14.331 -5.436 616 H ALA 80 H ALA 80 -3.587 -13.131 -3.733 617 HA ALA 80 HA ALA 80 -3.886 -12.779 -0.977 618 1HB ALA 80 1HB ALA 80 -2.657 -14.605 -2.122 619 2HB ALA 80 2HB ALA 80 -1.395 -13.449 -2.607 620 3HB ALA 80 3HB ALA 80 -1.646 -13.815 -0.890 621 H LEU 81 H LEU 81 -2.605 -10.435 -3.202 622 HA LEU 81 HA LEU 81 -0.565 -9.322 -1.522 623 1HB LEU 81 1HB LEU 81 -2.099 -8.334 -3.936 624 2HB LEU 81 2HB LEU 81 -1.111 -7.235 -3.025 625 HG LEU 81 HG LEU 81 -0.063 -9.769 -4.330 626 1HD1 LEU 81 1HD1 LEU 81 0.653 -6.967 -5.229 627 2HD1 LEU 81 2HD1 LEU 81 0.721 -8.468 -6.119 628 3HD1 LEU 81 3HD1 LEU 81 -0.850 -7.701 -5.803 629 1HD2 LEU 81 1HD2 LEU 81 1.353 -7.470 -2.873 630 2HD2 LEU 81 2HD2 LEU 81 1.370 -9.184 -2.434 631 3HD2 LEU 81 3HD2 LEU 81 2.180 -8.649 -3.906 632 HA PRO 82 HA PRO 82 -3.555 -6.941 0.990 633 1HB PRO 82 1HB PRO 82 -1.757 -5.821 2.708 634 2HB PRO 82 2HB PRO 82 -2.341 -7.504 2.885 635 1HG PRO 82 1HG PRO 82 0.248 -6.543 1.666 636 2HG PRO 82 2HG PRO 82 0.001 -7.910 2.783 637 1HD PRO 82 1HD PRO 82 0.220 -8.174 0.059 638 2HD PRO 82 2HD PRO 82 -0.756 -9.291 1.059 639 H VAL 83 H VAL 83 -4.206 -5.321 -0.482 640 HA VAL 83 HA VAL 83 -2.243 -3.239 -1.152 641 HB VAL 83 HB VAL 83 -3.740 -2.202 -2.503 642 1HG1 VAL 83 1HG1 VAL 83 -4.736 -5.068 -2.757 643 2HG1 VAL 83 2HG1 VAL 83 -4.659 -3.822 -4.012 644 3HG1 VAL 83 3HG1 VAL 83 -3.162 -4.495 -3.348 645 1HG2 VAL 83 1HG2 VAL 83 -5.632 -1.881 -1.023 646 2HG2 VAL 83 2HG2 VAL 83 -6.136 -2.520 -2.568 647 3HG2 VAL 83 3HG2 VAL 83 -6.055 -3.614 -1.160 648 H LEU 84 H LEU 84 -2.073 -1.333 -0.007 649 HA LEU 84 HA LEU 84 -3.829 -1.011 2.386 650 1HB LEU 84 1HB LEU 84 -1.837 -2.188 3.112 651 2HB LEU 84 2HB LEU 84 -0.816 -1.030 2.278 652 HG LEU 84 HG LEU 84 -1.229 0.680 3.832 653 1HD1 LEU 84 1HD1 LEU 84 -2.841 0.543 5.684 654 2HD1 LEU 84 2HD1 LEU 84 -3.647 0.565 4.136 655 3HD1 LEU 84 3HD1 LEU 84 -3.490 -0.981 5.008 656 1HD2 LEU 84 1HD2 LEU 84 0.274 -1.108 4.639 657 2HD2 LEU 84 2HD2 LEU 84 -0.547 -0.276 5.965 658 3HD2 LEU 84 3HD2 LEU 84 -1.098 -1.891 5.448 659 H MET 85 H MET 85 -4.836 0.858 2.044 660 HA MET 85 HA MET 85 -3.655 2.705 0.069 661 1HB MET 85 1HB MET 85 -6.294 3.024 1.500 662 2HB MET 85 2HB MET 85 -5.782 3.707 -0.051 663 1HG MET 85 1HG MET 85 -5.536 1.150 -0.751 664 2HG MET 85 2HG MET 85 -6.567 0.863 0.648 665 1HE MET 85 1HE MET 85 -6.355 3.372 -2.407 666 2HE MET 85 2HE MET 85 -6.316 1.719 -3.052 667 3HE MET 85 3HE MET 85 -7.717 2.760 -3.374 668 H VAL 86 H VAL 86 -2.348 4.374 0.756 669 HA VAL 86 HA VAL 86 -2.625 5.442 3.505 670 HB VAL 86 HB VAL 86 0.004 4.649 2.161 671 1HG1 VAL 86 1HG1 VAL 86 1.077 5.327 4.255 672 2HG1 VAL 86 2HG1 VAL 86 0.189 6.685 3.569 673 3HG1 VAL 86 3HG1 VAL 86 -0.484 5.802 4.948 674 1HG2 VAL 86 1HG2 VAL 86 -1.267 3.408 4.636 675 2HG2 VAL 86 2HG2 VAL 86 -1.142 2.671 3.035 676 3HG2 VAL 86 3HG2 VAL 86 0.326 3.029 3.953 677 H THR 87 H THR 87 -3.389 7.451 2.966 678 HA THR 87 HA THR 87 -2.095 8.828 0.698 679 HB THR 87 HB THR 87 -3.846 7.408 -0.222 680 HG1 THR 87 1HG THR 87 -3.566 9.545 -1.045 681 1HG2 THR 87 1HG2 THR 87 -5.336 7.055 1.658 682 2HG2 THR 87 2HG2 THR 87 -5.790 8.769 1.682 683 3HG2 THR 87 3HG2 THR 87 -6.236 7.739 0.305 684 H ALA 88 H ALA 88 -3.139 11.045 0.398 685 HA ALA 88 HA ALA 88 -3.341 12.392 2.985 686 1HB ALA 88 1HB ALA 88 -3.436 14.452 1.574 687 2HB ALA 88 2HB ALA 88 -2.046 13.426 1.162 688 3HB ALA 88 3HB ALA 88 -3.493 13.432 0.121 689 H GLU 89 H GLU 89 -5.503 10.853 0.904 690 HA GLU 89 HA GLU 89 -7.682 12.714 0.950 691 1HB GLU 89 1HB GLU 89 -7.171 9.922 -0.160 692 2HB GLU 89 2HB GLU 89 -8.715 10.734 -0.355 693 1HG GLU 89 1HG GLU 89 -6.027 11.887 -1.243 694 2HG GLU 89 2HG GLU 89 -7.151 11.036 -2.305 695 H ALA 90 H ALA 90 -8.908 12.955 2.750 696 HA ALA 90 HA ALA 90 -9.594 10.604 4.397 697 1HB ALA 90 1HB ALA 90 -8.914 12.878 5.389 698 2HB ALA 90 2HB ALA 90 -10.516 13.433 4.895 699 3HB ALA 90 3HB ALA 90 -10.358 12.083 6.031 700 H LYS 91 H LYS 91 -10.907 11.744 1.548 701 HA LYS 91 HA LYS 91 -13.538 12.429 2.119 702 1HB LYS 91 1HB LYS 91 -12.750 12.859 -0.028 703 2HB LYS 91 2HB LYS 91 -12.319 11.191 -0.346 704 1HG LYS 91 1HG LYS 91 -14.512 10.560 -0.868 705 2HG LYS 91 2HG LYS 91 -15.195 11.736 0.231 706 1HD LYS 91 1HD LYS 91 -15.806 12.881 -1.548 707 2HD LYS 91 2HD LYS 91 -14.161 13.468 -1.627 708 1HE LYS 91 1HE LYS 91 -15.337 11.104 -3.173 709 2HE LYS 91 2HE LYS 91 -15.094 12.739 -3.798 710 1HZ LYS 91 1HZ LYS 91 -13.282 11.487 -4.539 711 2HZ LYS 91 2HZ LYS 91 -12.646 12.338 -3.304 712 3HZ LYS 91 3HZ LYS 91 -13.047 10.762 -3.103 713 H LYS 92 H LYS 92 -15.196 11.452 3.036 714 HA LYS 92 HA LYS 92 -14.922 8.892 4.116 715 1HB LYS 92 1HB LYS 92 -17.349 10.652 3.617 716 2HB LYS 92 2HB LYS 92 -17.532 9.058 4.359 717 1HG LYS 92 1HG LYS 92 -16.274 9.631 6.275 718 2HG LYS 92 2HG LYS 92 -15.536 11.033 5.498 719 1HD LYS 92 1HD LYS 92 -17.201 11.737 7.159 720 2HD LYS 92 2HD LYS 92 -17.600 12.264 5.533 721 1HE LYS 92 1HE LYS 92 -19.638 11.596 6.492 722 2HE LYS 92 2HE LYS 92 -19.204 10.316 5.360 723 1HZ LYS 92 1HZ LYS 92 -18.905 10.242 8.308 724 2HZ LYS 92 2HZ LYS 92 -20.008 9.436 7.410 725 3HZ LYS 92 3HZ LYS 92 -18.422 9.021 7.286 726 H GLU 93 H GLU 93 -16.667 9.770 1.023 727 HA GLU 93 HA GLU 93 -17.562 7.098 0.689 728 1HB GLU 93 1HB GLU 93 -18.314 9.217 -0.547 729 2HB GLU 93 2HB GLU 93 -16.933 8.993 -1.620 730 1HG GLU 93 1HG GLU 93 -19.014 6.825 -1.075 731 2HG GLU 93 2HG GLU 93 -19.276 8.091 -2.271 732 H ASN 94 H ASN 94 -14.448 8.621 -0.152 733 HA ASN 94 HA ASN 94 -13.363 6.485 -1.664 734 1HB ASN 94 1HB ASN 94 -11.744 8.144 0.324 735 2HB ASN 94 2HB ASN 94 -11.138 7.083 -0.924 736 1HD2 ASN 94 1HD2 ASN 94 -9.976 9.336 -1.144 737 2HD2 ASN 94 2HD2 ASN 94 -10.683 10.416 -2.322 738 H ILE 95 H ILE 95 -13.406 7.115 1.866 739 HA ILE 95 HA ILE 95 -12.063 4.697 2.603 740 HB ILE 95 HB ILE 95 -13.953 6.507 4.153 741 1HG1 ILE 95 1HG1 ILE 95 -11.757 6.482 5.607 742 2HG1 ILE 95 2HG1 ILE 95 -10.977 5.859 4.174 743 1HG2 ILE 95 1HG2 ILE 95 -14.430 4.240 5.017 744 2HG2 ILE 95 2HG2 ILE 95 -12.694 3.949 5.225 745 3HG2 ILE 95 3HG2 ILE 95 -13.527 5.183 6.187 746 1HD1 ILE 95 1HD1 ILE 95 -12.539 8.484 4.332 747 2HD1 ILE 95 2HD1 ILE 95 -10.787 8.348 4.521 748 3HD1 ILE 95 3HD1 ILE 95 -11.525 7.931 2.969 749 H ILE 96 H ILE 96 -15.575 5.272 2.053 750 HA ILE 96 HA ILE 96 -16.399 2.607 2.773 751 HB ILE 96 HB ILE 96 -17.695 4.767 1.068 752 1HG1 ILE 96 1HG1 ILE 96 -19.531 4.304 2.846 753 2HG1 ILE 96 2HG1 ILE 96 -18.320 3.386 3.726 754 1HG2 ILE 96 1HG2 ILE 96 -18.809 1.969 1.496 755 2HG2 ILE 96 2HG2 ILE 96 -19.701 3.354 0.820 756 3HG2 ILE 96 3HG2 ILE 96 -18.349 2.690 -0.064 757 1HD1 ILE 96 1HD1 ILE 96 -18.575 5.682 4.545 758 2HD1 ILE 96 2HD1 ILE 96 -16.950 5.450 3.907 759 3HD1 ILE 96 3HD1 ILE 96 -18.182 6.330 2.943 760 H ALA 97 H ALA 97 -15.729 4.073 -0.451 761 HA ALA 97 HA ALA 97 -16.092 1.844 -2.018 762 1HB ALA 97 1HB ALA 97 -14.058 4.093 -2.302 763 2HB ALA 97 2HB ALA 97 -14.550 2.985 -3.607 764 3HB ALA 97 3HB ALA 97 -15.716 4.104 -2.873 765 H ALA 98 H ALA 98 -13.060 2.830 -0.355 766 HA ALA 98 HA ALA 98 -11.457 0.654 -1.216 767 1HB ALA 98 1HB ALA 98 -11.357 2.203 1.411 768 2HB ALA 98 2HB ALA 98 -10.043 1.230 0.704 769 3HB ALA 98 3HB ALA 98 -10.625 2.703 -0.106 770 H ALA 99 H ALA 99 -13.454 0.986 1.783 771 HA ALA 99 HA ALA 99 -12.695 -1.570 2.843 772 1HB ALA 99 1HB ALA 99 -13.672 0.254 4.222 773 2HB ALA 99 2HB ALA 99 -15.203 0.125 3.330 774 3HB ALA 99 3HB ALA 99 -14.643 -1.219 4.342 775 H GLN 100 H GLN 100 -15.440 -0.506 0.837 776 HA GLN 100 HA GLN 100 -16.772 -2.998 0.607 777 1HB GLN 100 1HB GLN 100 -16.668 -0.483 -1.123 778 2HB GLN 100 2HB GLN 100 -17.652 -1.859 -1.551 779 1HG GLN 100 1HG GLN 100 -17.888 -0.216 1.004 780 2HG GLN 100 2HG GLN 100 -18.976 -0.141 -0.381 781 1HE2 GLN 100 1HE2 GLN 100 -20.001 -0.619 2.211 782 2HE2 GLN 100 2HE2 GLN 100 -20.423 -2.314 2.379 783 H ALA 101 H ALA 101 -14.306 -1.462 -1.588 784 HA ALA 101 HA ALA 101 -14.140 -3.624 -3.374 785 1HB ALA 101 1HB ALA 101 -13.236 -1.358 -3.798 786 2HB ALA 101 2HB ALA 101 -12.040 -1.590 -2.522 787 3HB ALA 101 3HB ALA 101 -11.981 -2.599 -3.986 788 H GLY 102 H GLY 102 -13.075 -3.485 -0.055 789 1HA GLY 102 1HA GLY 102 -12.220 -5.250 1.175 790 2HA GLY 102 2HA GLY 102 -11.921 -6.165 -0.310 791 H ALA 103 H ALA 103 -10.809 -2.816 0.346 792 HA ALA 103 HA ALA 103 -8.036 -3.438 -0.154 793 1HB ALA 103 1HB ALA 103 -9.257 -1.060 -0.113 794 2HB ALA 103 2HB ALA 103 -8.859 -1.114 1.599 795 3HB ALA 103 3HB ALA 103 -7.567 -1.231 0.380 796 H SER 104 H SER 104 -6.352 -3.854 1.422 797 HA SER 104 HA SER 104 -7.427 -5.352 3.635 798 1HB SER 104 1HB SER 104 -5.300 -6.155 3.942 799 2HB SER 104 2HB SER 104 -5.441 -5.958 2.208 800 HG SER 104 HG SER 104 -4.290 -3.979 2.389 801 H GLY 105 H GLY 105 -6.649 -2.007 3.273 802 1HA GLY 105 1HA GLY 105 -7.571 -1.327 5.795 803 2HA GLY 105 2HA GLY 105 -5.800 -1.356 5.914 804 H TYR 106 H TYR 106 -7.038 1.041 6.306 805 HA TYR 106 HA TYR 106 -6.261 2.617 3.940 806 1HB TYR 106 1HB TYR 106 -8.863 2.209 4.428 807 2HB TYR 106 2HB TYR 106 -8.618 3.473 5.614 808 HD1 TYR 106 1HD TYR 106 -7.990 5.825 4.800 809 HD2 TYR 106 2HD TYR 106 -8.745 2.580 2.064 810 HE1 TYR 106 1HE TYR 106 -8.310 7.448 2.936 811 HE2 TYR 106 2HE TYR 106 -9.040 4.201 0.223 812 HH TYR 106 HH TYR 106 -9.004 6.399 -0.412 813 H VAL 107 H VAL 107 -5.172 4.516 4.555 814 HA VAL 107 HA VAL 107 -5.031 5.364 7.385 815 HB VAL 107 HB VAL 107 -2.697 4.776 5.524 816 1HG1 VAL 107 1HG1 VAL 107 -1.260 5.487 7.428 817 2HG1 VAL 107 2HG1 VAL 107 -2.213 6.805 6.756 818 3HG1 VAL 107 3HG1 VAL 107 -2.720 6.047 8.282 819 1HG2 VAL 107 1HG2 VAL 107 -1.903 3.226 7.259 820 2HG2 VAL 107 2HG2 VAL 107 -3.345 3.567 8.236 821 3HG2 VAL 107 3HG2 VAL 107 -3.487 2.733 6.660 822 H VAL 108 H VAL 108 -4.897 7.634 7.521 823 HA VAL 108 HA VAL 108 -4.683 9.075 4.964 824 HB VAL 108 HB VAL 108 -6.510 9.905 7.235 825 1HG1 VAL 108 1HG1 VAL 108 -5.697 11.734 5.749 826 2HG1 VAL 108 2HG1 VAL 108 -6.254 10.823 4.328 827 3HG1 VAL 108 3HG1 VAL 108 -7.411 11.424 5.530 828 1HG2 VAL 108 1HG2 VAL 108 -7.466 7.855 6.245 829 2HG2 VAL 108 2HG2 VAL 108 -8.408 9.267 5.769 830 3HG2 VAL 108 3HG2 VAL 108 -7.264 8.539 4.618 831 H LYS 109 H LYS 109 -3.339 10.867 5.103 832 HA LYS 109 HA LYS 109 -1.470 11.197 7.189 833 1HB LYS 109 1HB LYS 109 -0.874 13.295 6.148 834 2HB LYS 109 2HB LYS 109 -1.267 12.127 4.900 835 1HG LYS 109 1HG LYS 109 -2.357 13.919 4.061 836 2HG LYS 109 2HG LYS 109 -3.680 13.242 5.023 837 1HD LYS 109 1HD LYS 109 -2.757 14.945 6.859 838 2HD LYS 109 2HD LYS 109 -1.968 15.691 5.472 839 1HE LYS 109 1HE LYS 109 -4.953 15.250 5.895 840 2HE LYS 109 2HE LYS 109 -4.075 16.787 5.900 841 1HZ LYS 109 1HZ LYS 109 -4.620 15.080 3.560 842 2HZ LYS 109 2HZ LYS 109 -5.103 16.634 3.865 843 3HZ LYS 109 3HZ LYS 109 -3.514 16.304 3.541 844 HA PRO 110 HA PRO 110 -0.345 12.489 8.530 845 1HB PRO 110 1HB PRO 110 0.136 13.153 11.100 846 2HB PRO 110 2HB PRO 110 -0.182 14.394 9.853 847 1HG PRO 110 1HG PRO 110 -2.134 13.271 11.875 848 2HG PRO 110 2HG PRO 110 -1.834 14.984 11.446 849 1HD PRO 110 1HD PRO 110 -3.868 13.455 10.335 850 2HD PRO 110 2HD PRO 110 -3.076 14.806 9.472 851 H PHE 111 H PHE 111 0.596 10.498 9.080 852 HA PHE 111 HA PHE 111 -0.764 8.741 11.079 853 1HB PHE 111 1HB PHE 111 -0.569 6.893 9.546 854 2HB PHE 111 2HB PHE 111 -1.548 8.156 8.832 855 HD1 PHE 111 1HD PHE 111 -0.825 9.246 6.781 856 HD2 PHE 111 2HD PHE 111 1.700 6.355 8.750 857 HE1 PHE 111 1HE PHE 111 0.745 9.313 4.861 858 HE2 PHE 111 2HE PHE 111 3.217 6.374 6.791 859 HZ PHE 111 HZ PHE 111 2.791 7.928 4.912 860 H THR 112 H THR 112 0.624 6.863 11.707 861 HA THR 112 HA THR 112 3.509 7.546 11.779 862 HB THR 112 HB THR 112 3.149 6.776 14.283 863 HG1 THR 112 1HG THR 112 1.042 7.443 15.018 864 1HG2 THR 112 1HG2 THR 112 2.158 9.497 13.368 865 2HG2 THR 112 2HG2 THR 112 2.808 9.070 14.975 866 3HG2 THR 112 3HG2 THR 112 3.861 9.028 13.560 867 H ALA 113 H ALA 113 4.713 5.757 12.940 868 HA ALA 113 HA ALA 113 4.497 3.253 11.623 869 1HB ALA 113 1HB ALA 113 6.126 2.527 13.331 870 2HB ALA 113 2HB ALA 113 6.585 4.096 12.651 871 3HB ALA 113 3HB ALA 113 5.836 3.999 14.263 872 H ALA 114 H ALA 114 3.143 4.524 14.663 873 HA ALA 114 HA ALA 114 2.087 2.237 15.796 874 1HB ALA 114 1HB ALA 114 0.737 4.979 15.675 875 2HB ALA 114 2HB ALA 114 0.456 3.710 16.876 876 3HB ALA 114 3HB ALA 114 2.026 4.532 16.808 877 H THR 115 H THR 115 0.380 4.351 13.330 878 HA THR 115 HA THR 115 -1.729 2.361 13.221 879 HB THR 115 HB THR 115 -1.906 4.949 12.855 880 HG1 THR 115 1HG THR 115 -3.761 3.923 12.699 881 1HG2 THR 115 1HG2 THR 115 -1.512 4.078 9.971 882 2HG2 THR 115 2HG2 THR 115 -2.061 5.649 10.575 883 3HG2 THR 115 3HG2 THR 115 -0.397 5.103 10.907 884 H LEU 116 H LEU 116 1.219 3.055 11.318 885 HA LEU 116 HA LEU 116 0.658 1.419 9.083 886 1HB LEU 116 1HB LEU 116 2.674 2.973 9.517 887 2HB LEU 116 2HB LEU 116 3.361 1.647 10.438 888 HG LEU 116 HG LEU 116 4.424 1.580 8.392 889 1HD1 LEU 116 1HD1 LEU 116 3.593 -0.635 9.131 890 2HD1 LEU 116 2HD1 LEU 116 2.204 -0.441 8.016 891 3HD1 LEU 116 3HD1 LEU 116 3.831 -0.522 7.379 892 1HD2 LEU 116 1HD2 LEU 116 3.410 1.536 6.176 893 2HD2 LEU 116 2HD2 LEU 116 1.793 1.727 6.869 894 3HD2 LEU 116 3HD2 LEU 116 3.001 3.032 7.020 895 H GLU 117 H GLU 117 2.280 0.492 12.220 896 HA GLU 117 HA GLU 117 2.245 -2.267 11.562 897 1HB GLU 117 1HB GLU 117 3.015 -2.752 13.687 898 2HB GLU 117 2HB GLU 117 3.826 -1.296 13.172 899 1HG GLU 117 1HG GLU 117 2.883 -0.007 14.857 900 2HG GLU 117 2HG GLU 117 1.386 -0.929 14.883 901 H GLU 118 H GLU 118 -0.281 -0.220 12.802 902 HA GLU 118 HA GLU 118 -1.879 -2.298 14.023 903 1HB GLU 118 1HB GLU 118 -2.101 0.169 14.401 904 2HB GLU 118 2HB GLU 118 -2.772 0.338 12.782 905 1HG GLU 118 1HG GLU 118 -4.718 -0.893 13.322 906 2HG GLU 118 2HG GLU 118 -4.015 -1.493 14.835 907 H LYS 119 H LYS 119 -1.764 -0.786 10.757 908 HA LYS 119 HA LYS 119 -3.838 -2.584 9.756 909 1HB LYS 119 1HB LYS 119 -1.860 -1.160 7.985 910 2HB LYS 119 2HB LYS 119 -3.485 -1.727 7.608 911 1HG LYS 119 1HG LYS 119 -2.649 0.702 9.196 912 2HG LYS 119 2HG LYS 119 -3.559 0.641 7.720 913 1HD LYS 119 1HD LYS 119 -5.538 -0.172 8.845 914 2HD LYS 119 2HD LYS 119 -4.666 -0.274 10.402 915 1HE LYS 119 1HE LYS 119 -4.237 2.107 10.426 916 2HE LYS 119 2HE LYS 119 -4.831 2.282 8.774 917 1HZ LYS 119 1HZ LYS 119 -7.050 1.788 9.534 918 2HZ LYS 119 2HZ LYS 119 -6.523 1.618 11.101 919 3HZ LYS 119 3HZ LYS 119 -6.425 3.054 10.351 920 H LEU 120 H LEU 120 -0.242 -2.621 9.764 921 HA LEU 120 HA LEU 120 0.099 -4.998 8.246 922 1HB LEU 120 1HB LEU 120 1.702 -4.007 10.609 923 2HB LEU 120 2HB LEU 120 2.122 -5.431 9.690 924 HG LEU 120 HG LEU 120 2.018 -2.634 8.534 925 1HD1 LEU 120 1HD1 LEU 120 4.505 -2.887 8.495 926 2HD1 LEU 120 2HD1 LEU 120 3.867 -2.963 10.148 927 3HD1 LEU 120 3HD1 LEU 120 4.336 -4.453 9.316 928 1HD2 LEU 120 1HD2 LEU 120 3.248 -3.697 6.615 929 2HD2 LEU 120 2HD2 LEU 120 2.898 -5.285 7.327 930 3HD2 LEU 120 3HD2 LEU 120 1.578 -4.229 6.766 931 H ASN 121 H ASN 121 -0.269 -4.677 11.854 932 HA ASN 121 HA ASN 121 -0.175 -7.500 12.194 933 1HB ASN 121 1HB ASN 121 0.152 -5.571 13.920 934 2HB ASN 121 2HB ASN 121 -1.590 -5.752 14.201 935 1HD2 ASN 121 1HD2 ASN 121 1.492 -6.781 15.167 936 2HD2 ASN 121 2HD2 ASN 121 1.051 -8.353 15.811 937 H LYS 122 H LYS 122 -2.907 -5.306 11.536 938 HA LYS 122 HA LYS 122 -4.956 -7.288 11.735 939 1HB LYS 122 1HB LYS 122 -4.683 -4.698 10.238 940 2HB LYS 122 2HB LYS 122 -5.912 -5.855 9.693 941 1HG LYS 122 1HG LYS 122 -6.811 -6.035 11.952 942 2HG LYS 122 2HG LYS 122 -5.607 -4.898 12.574 943 1HD LYS 122 1HD LYS 122 -7.580 -4.159 10.372 944 2HD LYS 122 2HD LYS 122 -7.990 -4.092 12.093 945 1HE LYS 122 1HE LYS 122 -5.938 -2.633 12.436 946 2HE LYS 122 2HE LYS 122 -5.825 -2.495 10.672 947 1HZ LYS 122 1HZ LYS 122 -7.974 -1.477 10.625 948 2HZ LYS 122 2HZ LYS 122 -8.277 -1.853 12.199 949 3HZ LYS 122 3HZ LYS 122 -7.170 -0.718 11.856 950 H ILE 123 H ILE 123 -2.963 -6.490 8.773 951 HA ILE 123 HA ILE 123 -4.158 -8.767 7.470 952 HB ILE 123 HB ILE 123 -2.441 -8.443 5.708 953 1HG1 ILE 123 1HG1 ILE 123 -1.537 -6.167 7.484 954 2HG1 ILE 123 2HG1 ILE 123 -0.554 -7.533 6.962 955 1HG2 ILE 123 1HG2 ILE 123 -3.897 -5.895 6.514 956 2HG2 ILE 123 2HG2 ILE 123 -3.487 -6.486 4.891 957 3HG2 ILE 123 3HG2 ILE 123 -4.702 -7.338 5.840 958 1HD1 ILE 123 1HD1 ILE 123 -1.685 -5.321 5.172 959 2HD1 ILE 123 2HD1 ILE 123 -0.053 -5.422 5.780 960 3HD1 ILE 123 3HD1 ILE 123 -0.637 -6.679 4.670 961 H PHE 124 H PHE 124 -1.375 -8.568 9.614 962 HA PHE 124 HA PHE 124 -0.290 -11.130 9.027 963 1HB PHE 124 1HB PHE 124 -0.570 -9.810 11.752 964 2HB PHE 124 2HB PHE 124 0.386 -11.222 11.395 965 HD1 PHE 124 1HD PHE 124 1.169 -9.425 8.563 966 HD2 PHE 124 2HD PHE 124 1.685 -9.246 12.841 967 HE1 PHE 124 1HE PHE 124 3.162 -8.033 8.251 968 HE2 PHE 124 2HE PHE 124 3.726 -7.874 12.516 969 HZ PHE 124 HZ PHE 124 4.438 -7.230 10.218 970 H GLU 125 H GLU 125 -2.727 -10.281 11.571 971 HA GLU 125 HA GLU 125 -3.195 -13.088 11.880 972 1HB GLU 125 1HB GLU 125 -4.790 -10.727 12.970 973 2HB GLU 125 2HB GLU 125 -4.908 -12.394 13.554 974 1HG GLU 125 1HG GLU 125 -2.500 -12.349 14.185 975 2HG GLU 125 2HG GLU 125 -2.392 -10.669 13.655 976 H LYS 126 H LYS 126 -4.880 -10.616 10.055 977 HA LYS 126 HA LYS 126 -7.298 -12.105 9.646 978 1HB LYS 126 1HB LYS 126 -7.194 -9.637 9.419 979 2HB LYS 126 2HB LYS 126 -6.139 -9.812 8.008 980 1HG LYS 126 1HG LYS 126 -8.055 -11.196 6.953 981 2HG LYS 126 2HG LYS 126 -9.045 -10.636 8.289 982 1HD LYS 126 1HD LYS 126 -8.877 -8.350 7.587 983 2HD LYS 126 2HD LYS 126 -7.519 -8.693 6.494 984 1HE LYS 126 1HE LYS 126 -8.950 -10.044 5.034 985 2HE LYS 126 2HE LYS 126 -10.309 -9.853 6.146 986 1HZ LYS 126 1HZ LYS 126 -9.442 -8.073 4.113 987 2HZ LYS 126 2HZ LYS 126 -10.848 -8.123 4.943 988 3HZ LYS 126 3HZ LYS 126 -9.547 -7.300 5.566 989 H LEU 127 H LEU 127 -4.781 -11.213 7.198 990 HA LEU 127 HA LEU 127 -5.657 -13.238 5.399 991 1HB LEU 127 1HB LEU 127 -3.031 -11.749 5.229 992 2HB LEU 127 2HB LEU 127 -3.991 -12.408 3.928 993 HG LEU 127 HG LEU 127 -4.478 -9.892 5.544 994 1HD1 LEU 127 1HD1 LEU 127 -2.916 -9.757 3.622 995 2HD1 LEU 127 2HD1 LEU 127 -4.182 -10.367 2.548 996 3HD1 LEU 127 3HD1 LEU 127 -4.383 -8.797 3.348 997 1HD2 LEU 127 1HD2 LEU 127 -6.670 -10.993 5.279 998 2HD2 LEU 127 2HD2 LEU 127 -6.543 -9.500 4.344 999 3HD2 LEU 127 3HD2 LEU 127 -6.410 -11.085 3.539 1000 H GLY 128 H GLY 128 -3.018 -13.058 7.808 1001 1HA GLY 128 1HA GLY 128 -1.697 -14.898 8.500 1002 2HA GLY 128 2HA GLY 128 -1.955 -15.691 6.947 1003 H MET 129 H MET 129 -1.122 -12.181 7.339 1004 HA MET 129 HA MET 129 1.140 -12.595 5.482 1005 1HB MET 129 2HB MET 129 0.053 -10.138 6.860 1006 2HB MET 129 3HB MET 129 1.549 -10.116 5.929 1007 1HG MET 129 2HG MET 129 -1.169 -10.874 4.833 1008 2HG MET 129 3HG MET 129 -0.416 -9.297 4.711 1009 1HE MET 129 1HE MET 129 -1.023 -12.613 3.298 1010 2HE MET 129 2HE MET 129 0.126 -12.831 1.954 1011 3HE MET 129 3HE MET 129 0.616 -13.209 3.609 Start of MODEL 2 1 1H MET 1 H MET 1 19.480 -21.636 -0.080 2 2H MET 1 2HN MET 1 21.030 -21.179 -0.403 3 3H MET 1 3HN MET 1 20.706 -22.223 0.842 4 HA MET 1 HA MET 1 19.445 -20.529 1.962 5 1HB MET 1 2HB MET 1 21.303 -19.098 2.641 6 2HB MET 1 3HB MET 1 21.745 -20.794 2.647 7 1HG MET 1 2HG MET 1 23.167 -20.553 0.780 8 2HG MET 1 3HG MET 1 22.453 -19.022 0.282 9 1HE MET 1 1HE MET 1 23.864 -16.380 2.693 10 2HE MET 1 2HE MET 1 22.996 -16.689 1.171 11 3HE MET 1 3HE MET 1 22.272 -17.151 2.726 12 H ALA 2 H ALA 2 18.279 -18.623 1.802 13 HA ALA 2 HA ALA 2 18.759 -16.656 -0.232 14 1HB ALA 2 1HB ALA 2 16.707 -16.997 -1.526 15 2HB ALA 2 2HB ALA 2 17.628 -18.499 -1.604 16 3HB ALA 2 3HB ALA 2 16.234 -18.361 -0.516 17 H ASP 3 H ASP 3 16.780 -15.121 -0.174 18 HA ASP 3 HA ASP 3 15.219 -15.329 2.360 19 1HB ASP 3 1HB ASP 3 16.380 -12.891 0.989 20 2HB ASP 3 2HB ASP 3 14.760 -12.766 1.658 21 H LYS 4 H LYS 4 12.966 -14.490 1.973 22 HA LYS 4 HA LYS 4 11.866 -15.386 -0.566 23 1HB LYS 4 1HB LYS 4 9.772 -14.596 0.210 24 2HB LYS 4 2HB LYS 4 10.575 -15.456 1.515 25 1HG LYS 4 1HG LYS 4 11.200 -12.647 1.811 26 2HG LYS 4 2HG LYS 4 9.488 -12.793 1.444 27 1HD LYS 4 1HD LYS 4 9.620 -12.828 3.795 28 2HD LYS 4 2HD LYS 4 9.335 -14.515 3.312 29 1HE LYS 4 1HE LYS 4 11.699 -15.038 3.548 30 2HE LYS 4 2HE LYS 4 12.064 -13.349 3.969 31 1HZ LYS 4 1HZ LYS 4 11.932 -14.819 5.837 32 2HZ LYS 4 2HZ LYS 4 10.838 -13.627 6.001 33 3HZ LYS 4 3HZ LYS 4 10.344 -15.151 5.567 34 H GLU 5 H GLU 5 13.412 -12.556 0.504 35 HA GLU 5 HA GLU 5 13.462 -10.404 0.005 36 1HB GLU 5 1HB GLU 5 14.946 -11.625 -1.714 37 2HB GLU 5 2HB GLU 5 13.708 -11.168 -2.897 38 1HG GLU 5 1HG GLU 5 13.982 -8.747 -1.929 39 2HG GLU 5 2HG GLU 5 15.419 -9.367 -1.122 40 H LEU 6 H LEU 6 10.934 -10.961 0.526 41 HA LEU 6 HA LEU 6 9.006 -10.115 -1.403 42 1HB LEU 6 1HB LEU 6 8.281 -11.155 0.619 43 2HB LEU 6 2HB LEU 6 9.017 -9.911 1.640 44 HG LEU 6 HG LEU 6 7.017 -8.970 -0.405 45 1HD1 LEU 6 1HD1 LEU 6 5.935 -11.018 0.362 46 2HD1 LEU 6 2HD1 LEU 6 6.157 -10.530 2.057 47 3HD1 LEU 6 3HD1 LEU 6 5.097 -9.593 0.993 48 1HD2 LEU 6 1HD2 LEU 6 6.294 -7.492 1.414 49 2HD2 LEU 6 2HD2 LEU 6 7.343 -8.348 2.571 50 3HD2 LEU 6 3HD2 LEU 6 8.044 -7.385 1.263 51 H LYS 7 H LYS 7 8.689 -8.158 -2.277 52 HA LYS 7 HA LYS 7 10.091 -5.802 -1.116 53 1HB LYS 7 1HB LYS 7 9.104 -6.475 -3.879 54 2HB LYS 7 2HB LYS 7 8.783 -4.832 -3.342 55 1HG LYS 7 1HG LYS 7 10.876 -4.709 -4.348 56 2HG LYS 7 2HG LYS 7 11.143 -4.579 -2.614 57 1HD LYS 7 1HD LYS 7 12.861 -6.029 -3.506 58 2HD LYS 7 2HD LYS 7 11.759 -7.047 -2.590 59 1HE LYS 7 1HE LYS 7 10.567 -7.497 -4.861 60 2HE LYS 7 2HE LYS 7 11.967 -6.724 -5.617 61 1HZ LYS 7 1HZ LYS 7 13.352 -8.443 -4.593 62 2HZ LYS 7 2HZ LYS 7 12.038 -9.128 -3.891 63 3HZ LYS 7 3HZ LYS 7 12.164 -9.131 -5.522 64 H PHE 8 H PHE 8 9.034 -3.941 -0.820 65 HA PHE 8 HA PHE 8 6.059 -4.031 -0.365 66 1HB PHE 8 1HB PHE 8 8.335 -2.666 1.066 67 2HB PHE 8 2HB PHE 8 6.880 -1.720 0.805 68 HD1 PHE 8 1HD PHE 8 8.152 -4.869 2.400 69 HD2 PHE 8 2HD PHE 8 4.947 -2.024 2.050 70 HE1 PHE 8 1HE PHE 8 7.045 -5.849 4.393 71 HE2 PHE 8 2HE PHE 8 3.859 -2.963 4.067 72 HZ PHE 8 HZ PHE 8 4.898 -4.924 5.227 73 H LEU 9 H LEU 9 5.291 -3.359 -2.428 74 HA LEU 9 HA LEU 9 6.853 -1.273 -3.830 75 1HB LEU 9 1HB LEU 9 5.408 -3.053 -5.074 76 2HB LEU 9 2HB LEU 9 4.026 -2.112 -4.503 77 HG LEU 9 HG LEU 9 5.181 -0.051 -5.527 78 1HD1 LEU 9 1HD1 LEU 9 6.788 -0.434 -7.357 79 2HD1 LEU 9 2HD1 LEU 9 7.478 -0.913 -5.819 80 3HD1 LEU 9 3HD1 LEU 9 6.881 -2.152 -6.936 81 1HD2 LEU 9 1HD2 LEU 9 4.435 -2.273 -7.463 82 2HD2 LEU 9 2HD2 LEU 9 3.275 -1.233 -6.598 83 3HD2 LEU 9 3HD2 LEU 9 4.409 -0.528 -7.757 84 H VAL 10 H VAL 10 6.481 0.913 -3.472 85 HA VAL 10 HA VAL 10 4.081 1.697 -1.919 86 HB VAL 10 HB VAL 10 6.894 2.753 -1.447 87 1HG1 VAL 10 1HG1 VAL 10 4.272 3.188 0.065 88 2HG1 VAL 10 2HG1 VAL 10 5.856 3.867 0.496 89 3HG1 VAL 10 3HG1 VAL 10 5.047 4.361 -0.993 90 1HG2 VAL 10 1HG2 VAL 10 5.270 0.806 0.238 91 2HG2 VAL 10 2HG2 VAL 10 6.827 0.495 -0.545 92 3HG2 VAL 10 3HG2 VAL 10 6.738 1.648 0.787 93 H VAL 11 H VAL 11 2.928 2.716 -3.451 94 HA VAL 11 HA VAL 11 4.295 4.617 -5.304 95 HB VAL 11 HB VAL 11 1.789 3.035 -5.947 96 1HG1 VAL 11 1HG1 VAL 11 2.220 5.050 -7.326 97 2HG1 VAL 11 2HG1 VAL 11 3.870 4.494 -7.660 98 3HG1 VAL 11 3HG1 VAL 11 2.469 3.581 -8.265 99 1HG2 VAL 11 1HG2 VAL 11 4.670 2.236 -6.451 100 2HG2 VAL 11 2HG2 VAL 11 3.391 1.326 -5.590 101 3HG2 VAL 11 3HG2 VAL 11 3.276 1.568 -7.322 102 H ASP 12 H ASP 12 3.757 5.806 -3.026 103 HA ASP 12 HA ASP 12 1.084 6.638 -2.513 104 1HB ASP 12 1HB ASP 12 3.811 7.808 -1.899 105 2HB ASP 12 2HB ASP 12 2.370 8.738 -1.599 106 H ASP 13 H ASP 13 0.137 8.720 -2.893 107 HA ASP 13 HA ASP 13 0.220 9.746 -5.593 108 1HB ASP 13 1HB ASP 13 -1.823 10.030 -4.392 109 2HB ASP 13 2HB ASP 13 -0.998 10.657 -2.967 110 H PHE 14 H PHE 14 2.028 10.446 -2.699 111 HA PHE 14 HA PHE 14 3.236 12.906 -3.874 112 1HB PHE 14 1HB PHE 14 1.521 13.582 -2.331 113 2HB PHE 14 2HB PHE 14 1.972 12.368 -1.177 114 HD1 PHE 14 1HD PHE 14 4.279 14.816 -2.928 115 HD2 PHE 14 2HD PHE 14 2.318 13.679 0.746 116 HE1 PHE 14 1HE PHE 14 5.544 16.541 -1.702 117 HE2 PHE 14 2HE PHE 14 3.585 15.424 1.964 118 HZ PHE 14 HZ PHE 14 5.173 16.878 0.743 119 H SER 15 H SER 15 5.443 12.623 -4.006 120 HA SER 15 HA SER 15 6.725 10.310 -3.333 121 1HB SER 15 1HB SER 15 8.145 12.994 -3.285 122 2HB SER 15 2HB SER 15 8.815 11.419 -3.737 123 HG SER 15 HG SER 15 7.464 11.404 -5.546 124 H THR 16 H THR 16 6.859 13.303 -1.297 125 HA THR 16 HA THR 16 8.424 12.147 0.744 126 HB THR 16 HB THR 16 6.575 14.515 0.654 127 HG1 THR 16 1HG THR 16 8.346 15.350 -0.076 128 1HG2 THR 16 1HG2 THR 16 8.353 13.642 2.976 129 2HG2 THR 16 2HG2 THR 16 7.661 15.272 2.773 130 3HG2 THR 16 3HG2 THR 16 6.593 13.892 3.017 131 H MET 17 H MET 17 4.956 11.773 0.130 132 HA MET 17 HA MET 17 4.273 10.720 2.709 133 1HB MET 17 1HB MET 17 2.929 11.536 0.525 134 2HB MET 17 2HB MET 17 2.873 9.815 0.223 135 1HG MET 17 1HG MET 17 1.607 9.449 2.210 136 2HG MET 17 2HG MET 17 2.034 11.062 2.843 137 1HE MET 17 1HE MET 17 -0.166 11.706 3.507 138 2HE MET 17 2HE MET 17 -1.562 12.020 2.458 139 3HE MET 17 3HE MET 17 -1.155 10.349 2.893 140 H ARG 18 H ARG 18 5.607 9.298 -0.358 141 HA ARG 18 HA ARG 18 5.513 6.559 0.654 142 1HB ARG 18 1HB ARG 18 5.593 6.622 -1.655 143 2HB ARG 18 2HB ARG 18 6.739 7.940 -1.732 144 1HG ARG 18 1HG ARG 18 7.463 5.091 -0.925 145 2HG ARG 18 2HG ARG 18 7.546 5.734 -2.559 146 1HD ARG 18 1HD ARG 18 8.992 7.628 -1.138 147 2HD ARG 18 2HD ARG 18 9.375 6.146 -0.257 148 HE ARG 18 HE ARG 18 10.625 5.411 -2.051 149 1HH1 ARG 18 2HH2 ARG 18 8.389 7.887 -3.387 150 2HH1 ARG 18 1HH2 ARG 18 9.523 8.393 -4.569 151 1HH2 ARG 18 2HH1 ARG 18 12.035 6.050 -3.905 152 2HH2 ARG 18 1HH1 ARG 18 11.204 6.985 -5.098 153 H ARG 19 H ARG 19 7.795 9.254 0.652 154 HA ARG 19 HA ARG 19 10.058 7.825 1.622 155 1HB ARG 19 1HB ARG 19 9.561 10.416 0.818 156 2HB ARG 19 2HB ARG 19 9.716 10.657 2.554 157 1HG ARG 19 1HG ARG 19 11.815 11.048 1.515 158 2HG ARG 19 2HG ARG 19 11.988 9.523 2.398 159 1HD ARG 19 1HD ARG 19 12.071 8.256 0.403 160 2HD ARG 19 2HD ARG 19 11.106 9.436 -0.494 161 HE ARG 19 HE ARG 19 12.952 10.541 -1.154 162 1HH1 ARG 19 2HH2 ARG 19 14.026 8.673 1.729 163 2HH1 ARG 19 1HH2 ARG 19 15.698 8.887 1.298 164 1HH2 ARG 19 2HH1 ARG 19 15.072 10.945 -1.487 165 2HH2 ARG 19 1HH1 ARG 19 16.265 10.532 -0.281 166 H ILE 20 H ILE 20 7.441 9.538 3.337 167 HA ILE 20 HA ILE 20 8.214 8.818 5.976 168 HB ILE 20 HB ILE 20 5.763 9.922 4.644 169 1HG1 ILE 20 1HG1 ILE 20 5.983 11.563 6.497 170 2HG1 ILE 20 2HG1 ILE 20 7.285 10.613 7.213 171 1HG2 ILE 20 1HG2 ILE 20 4.709 8.223 6.007 172 2HG2 ILE 20 2HG2 ILE 20 5.680 8.690 7.422 173 3HG2 ILE 20 3HG2 ILE 20 4.455 9.794 6.741 174 1HD1 ILE 20 1HD1 ILE 20 8.219 12.525 6.116 175 2HD1 ILE 20 2HD1 ILE 20 8.676 11.134 5.146 176 3HD1 ILE 20 3HD1 ILE 20 7.337 12.196 4.627 177 H VAL 21 H VAL 21 5.660 7.210 3.893 178 HA VAL 21 HA VAL 21 5.195 5.061 5.544 179 HB VAL 21 HB VAL 21 5.338 5.152 2.503 180 1HG1 VAL 21 1HG1 VAL 21 5.481 2.787 3.127 181 2HG1 VAL 21 2HG1 VAL 21 4.109 2.971 4.247 182 3HG1 VAL 21 3HG1 VAL 21 3.891 3.154 2.489 183 1HG2 VAL 21 1HG2 VAL 21 2.938 5.402 2.565 184 2HG2 VAL 21 2HG2 VAL 21 2.884 5.188 4.326 185 3HG2 VAL 21 3HG2 VAL 21 3.615 6.635 3.605 186 H ARG 22 H ARG 22 7.823 5.173 3.089 187 HA ARG 22 HA ARG 22 9.003 2.651 3.632 188 1HB ARG 22 1HB ARG 22 9.576 4.097 1.689 189 2HB ARG 22 2HB ARG 22 10.280 5.291 2.775 190 1HG ARG 22 1HG ARG 22 11.619 2.803 3.365 191 2HG ARG 22 2HG ARG 22 11.448 2.884 1.642 192 1HD ARG 22 1HD ARG 22 13.449 3.905 1.901 193 2HD ARG 22 2HD ARG 22 12.389 5.317 1.830 194 HE ARG 22 HE ARG 22 12.527 4.768 4.525 195 1HH1 ARG 22 2HH2 ARG 22 14.919 5.465 1.985 196 2HH1 ARG 22 1HH2 ARG 22 16.249 5.645 3.065 197 1HH2 ARG 22 2HH1 ARG 22 14.367 5.129 6.055 198 2HH2 ARG 22 1HH1 ARG 22 15.876 5.578 5.327 199 H ASN 23 H ASN 23 9.604 5.871 5.131 200 HA ASN 23 HA ASN 23 11.697 5.011 6.860 201 1HB ASN 23 1HB ASN 23 11.002 7.427 6.310 202 2HB ASN 23 2HB ASN 23 9.719 7.235 7.511 203 1HD2 ASN 23 1HD2 ASN 23 10.345 7.639 9.709 204 2HD2 ASN 23 2HD2 ASN 23 12.029 7.668 10.200 205 H LEU 24 H LEU 24 8.160 5.263 7.371 206 HA LEU 24 HA LEU 24 8.102 4.333 10.055 207 1HB LEU 24 1HB LEU 24 5.963 4.043 7.916 208 2HB LEU 24 2HB LEU 24 5.721 3.915 9.654 209 HG LEU 24 HG LEU 24 6.550 6.449 8.182 210 1HD1 LEU 24 1HD1 LEU 24 4.276 7.203 8.695 211 2HD1 LEU 24 2HD1 LEU 24 4.325 5.797 7.631 212 3HD1 LEU 24 3HD1 LEU 24 3.900 5.573 9.332 213 1HD2 LEU 24 1HD2 LEU 24 6.178 5.940 11.108 214 2HD2 LEU 24 2HD2 LEU 24 7.539 6.655 10.273 215 3HD2 LEU 24 3HD2 LEU 24 6.029 7.564 10.379 216 H LEU 25 H LEU 25 7.937 2.509 6.971 217 HA LEU 25 HA LEU 25 7.611 -0.063 8.213 218 1HB LEU 25 1HB LEU 25 8.642 0.919 5.543 219 2HB LEU 25 2HB LEU 25 8.881 -0.770 5.978 220 HG LEU 25 HG LEU 25 6.135 0.477 6.260 221 1HD1 LEU 25 1HD1 LEU 25 7.284 -0.743 3.721 222 2HD1 LEU 25 2HD1 LEU 25 5.587 -0.306 4.013 223 3HD1 LEU 25 3HD1 LEU 25 6.819 0.960 3.968 224 1HD2 LEU 25 1HD2 LEU 25 6.643 -1.808 7.251 225 2HD2 LEU 25 2HD2 LEU 25 5.379 -1.821 6.014 226 3HD2 LEU 25 3HD2 LEU 25 7.017 -2.373 5.613 227 H LYS 26 H LYS 26 10.568 1.699 7.158 228 HA LYS 26 HA LYS 26 12.362 -0.286 8.158 229 1HB LYS 26 1HB LYS 26 12.670 2.632 7.418 230 2HB LYS 26 2HB LYS 26 14.026 1.676 8.025 231 1HG LYS 26 1HG LYS 26 13.473 -0.037 6.175 232 2HG LYS 26 2HG LYS 26 12.385 1.173 5.509 233 1HD LYS 26 1HD LYS 26 14.123 2.028 4.391 234 2HD LYS 26 2HD LYS 26 14.794 2.600 5.916 235 1HE LYS 26 1HE LYS 26 15.323 -0.110 4.621 236 2HE LYS 26 2HE LYS 26 16.402 1.287 4.563 237 1HZ LYS 26 1HZ LYS 26 15.693 -0.183 7.040 238 2HZ LYS 26 2HZ LYS 26 17.111 -0.253 6.201 239 3HZ LYS 26 3HZ LYS 26 16.670 1.119 6.961 240 H GLU 27 H GLU 27 10.640 2.259 9.849 241 HA GLU 27 HA GLU 27 12.252 2.486 12.179 242 1HB GLU 27 1HB GLU 27 9.279 2.857 11.680 243 2HB GLU 27 2HB GLU 27 9.986 3.123 13.249 244 1HG GLU 27 1HG GLU 27 11.302 4.560 10.961 245 2HG GLU 27 2HG GLU 27 9.671 5.085 11.416 246 H LEU 28 H LEU 28 9.416 0.330 11.517 247 HA LEU 28 HA LEU 28 10.337 -1.430 13.713 248 1HB LEU 28 1HB LEU 28 8.148 -1.279 14.835 249 2HB LEU 28 2HB LEU 28 9.098 0.177 14.905 250 HG LEU 28 HG LEU 28 7.707 1.340 13.394 251 1HD1 LEU 28 1HD1 LEU 28 7.091 -0.240 11.683 252 2HD1 LEU 28 2HD1 LEU 28 6.186 -1.239 12.856 253 3HD1 LEU 28 3HD1 LEU 28 5.626 0.390 12.410 254 1HD2 LEU 28 1HD2 LEU 28 5.532 1.230 14.653 255 2HD2 LEU 28 2HD2 LEU 28 6.029 -0.308 15.343 256 3HD2 LEU 28 3HD2 LEU 28 6.936 1.170 15.726 257 H GLY 29 H GLY 29 9.343 -1.533 10.612 258 1HA GLY 29 1HA GLY 29 7.536 -3.889 10.963 259 2HA GLY 29 2HA GLY 29 7.450 -2.707 9.660 260 H PHE 30 H PHE 30 9.348 -2.596 8.134 261 HA PHE 30 HA PHE 30 10.846 -5.068 7.768 262 1HB PHE 30 1HB PHE 30 8.569 -4.280 5.898 263 2HB PHE 30 2HB PHE 30 9.757 -5.525 5.561 264 HD1 PHE 30 1HD PHE 30 6.551 -4.871 7.046 265 HD2 PHE 30 2HD PHE 30 9.941 -7.533 7.194 266 HE1 PHE 30 1HE PHE 30 5.147 -6.617 8.096 267 HE2 PHE 30 2HE PHE 30 8.555 -9.250 8.297 268 HZ PHE 30 HZ PHE 30 6.138 -8.812 8.734 269 H ASN 31 H ASN 31 11.850 -4.887 5.406 270 HA ASN 31 HA ASN 31 12.197 -2.121 4.521 271 1HB ASN 31 1HB ASN 31 14.479 -1.965 4.712 272 2HB ASN 31 2HB ASN 31 14.059 -2.709 6.237 273 1HD2 ASN 31 1HD2 ASN 31 14.433 -5.144 6.393 274 2HD2 ASN 31 2HD2 ASN 31 15.791 -5.783 5.508 275 H ASN 32 H ASN 32 13.887 -2.368 2.453 276 HA ASN 32 HA ASN 32 13.911 -2.733 0.320 277 1HB ASN 32 1HB ASN 32 13.000 -5.530 0.912 278 2HB ASN 32 2HB ASN 32 13.335 -4.903 -0.703 279 1HD2 ASN 32 1HD2 ASN 32 14.730 -7.081 0.752 280 2HD2 ASN 32 2HD2 ASN 32 16.418 -6.532 0.925 281 H VAL 33 H VAL 33 12.442 -1.053 0.336 282 HA VAL 33 HA VAL 33 9.778 -1.860 -0.594 283 HB VAL 33 HB VAL 33 9.189 0.443 -0.691 284 1HG1 VAL 33 1HG1 VAL 33 9.329 1.143 1.617 285 2HG1 VAL 33 2HG1 VAL 33 9.111 -0.604 1.574 286 3HG1 VAL 33 3HG1 VAL 33 10.710 0.074 1.931 287 1HG2 VAL 33 1HG2 VAL 33 10.634 2.292 -0.239 288 2HG2 VAL 33 2HG2 VAL 33 12.033 1.212 0.074 289 3HG2 VAL 33 3HG2 VAL 33 11.322 1.375 -1.545 290 H GLU 34 H GLU 34 9.203 -0.690 -2.710 291 HA GLU 34 HA GLU 34 11.376 0.187 -4.386 292 1HB GLU 34 1HB GLU 34 9.493 -2.062 -5.156 293 2HB GLU 34 2HB GLU 34 10.110 -0.973 -6.396 294 1HG GLU 34 1HG GLU 34 11.895 -2.602 -4.555 295 2HG GLU 34 2HG GLU 34 11.357 -3.108 -6.146 296 H GLU 35 H GLU 35 10.081 1.230 -6.411 297 HA GLU 35 HA GLU 35 7.618 2.563 -5.434 298 1HB GLU 35 1HB GLU 35 9.886 3.923 -5.164 299 2HB GLU 35 2HB GLU 35 9.807 3.994 -6.927 300 1HG GLU 35 1HG GLU 35 7.376 4.984 -6.460 301 2HG GLU 35 2HG GLU 35 8.040 5.294 -4.869 302 H ALA 36 H ALA 36 6.540 3.606 -7.383 303 HA ALA 36 HA ALA 36 7.325 2.639 -10.026 304 1HB ALA 36 1HB ALA 36 5.012 2.071 -10.554 305 2HB ALA 36 2HB ALA 36 5.476 1.136 -9.129 306 3HB ALA 36 3HB ALA 36 4.467 2.595 -8.975 307 H GLU 37 H GLU 37 6.080 4.176 -11.640 308 HA GLU 37 HA GLU 37 6.302 6.920 -10.661 309 1HB GLU 37 1HB GLU 37 5.224 7.578 -12.812 310 2HB GLU 37 2HB GLU 37 6.721 6.662 -12.993 311 1HG GLU 37 1HG GLU 37 5.619 4.730 -13.716 312 2HG GLU 37 2HG GLU 37 4.054 5.237 -13.088 313 H ASP 38 H ASP 38 3.600 4.595 -11.028 314 HA ASP 38 HA ASP 38 1.621 6.250 -9.683 315 1HB ASP 38 1HB ASP 38 2.014 6.164 -12.697 316 2HB ASP 38 2HB ASP 38 0.394 5.984 -12.103 317 H GLY 39 H GLY 39 -0.535 5.021 -9.823 318 1HA GLY 39 1HA GLY 39 -0.527 2.352 -9.311 319 2HA GLY 39 2HA GLY 39 -1.900 3.221 -9.978 320 H VAL 40 H VAL 40 -0.882 3.821 -12.562 321 HA VAL 40 HA VAL 40 -1.426 1.537 -14.105 322 HB VAL 40 HB VAL 40 0.272 3.974 -14.796 323 1HG1 VAL 40 1HG1 VAL 40 0.724 2.181 -16.428 324 2HG1 VAL 40 2HG1 VAL 40 -1.019 1.934 -16.670 325 3HG1 VAL 40 3HG1 VAL 40 -0.245 3.455 -17.168 326 1HG2 VAL 40 1HG2 VAL 40 -1.723 4.887 -15.855 327 2HG2 VAL 40 2HG2 VAL 40 -2.661 3.435 -15.463 328 3HG2 VAL 40 3HG2 VAL 40 -2.099 4.517 -14.178 329 H ASP 41 H ASP 41 1.731 2.902 -13.111 330 HA ASP 41 HA ASP 41 3.320 0.763 -14.229 331 1HB ASP 41 1HB ASP 41 4.005 3.131 -14.040 332 2HB ASP 41 2HB ASP 41 3.984 3.007 -12.295 333 H ALA 42 H ALA 42 1.775 1.450 -11.106 334 HA ALA 42 HA ALA 42 3.342 -0.197 -9.484 335 1HB ALA 42 1HB ALA 42 0.338 0.199 -9.196 336 2HB ALA 42 2HB ALA 42 1.496 -0.179 -7.923 337 3HB ALA 42 3HB ALA 42 1.524 1.416 -8.706 338 H LEU 43 H LEU 43 0.330 -0.918 -11.285 339 HA LEU 43 HA LEU 43 0.160 -3.673 -10.703 340 1HB LEU 43 1HB LEU 43 -1.470 -2.092 -12.003 341 2HB LEU 43 2HB LEU 43 -0.532 -2.566 -13.414 342 HG LEU 43 HG LEU 43 -1.015 -5.039 -12.566 343 1HD1 LEU 43 1HD1 LEU 43 -3.388 -3.605 -11.320 344 2HD1 LEU 43 2HD1 LEU 43 -3.069 -5.353 -11.377 345 3HD1 LEU 43 3HD1 LEU 43 -2.045 -4.304 -10.392 346 1HD2 LEU 43 1HD2 LEU 43 -1.884 -4.119 -14.675 347 2HD2 LEU 43 2HD2 LEU 43 -3.176 -5.000 -13.851 348 3HD2 LEU 43 3HD2 LEU 43 -3.147 -3.228 -13.806 349 H ASN 44 H ASN 44 1.883 -2.065 -13.337 350 HA ASN 44 HA ASN 44 3.062 -4.269 -14.666 351 1HB ASN 44 1HB ASN 44 3.183 -2.242 -15.794 352 2HB ASN 44 2HB ASN 44 3.726 -1.346 -14.389 353 1HD2 ASN 44 1HD2 ASN 44 5.842 -0.621 -14.645 354 2HD2 ASN 44 2HD2 ASN 44 7.067 -1.536 -15.517 355 H LYS 45 H LYS 45 4.341 -2.354 -11.862 356 HA LYS 45 HA LYS 45 6.700 -3.996 -11.582 357 1HB LYS 45 1HB LYS 45 5.299 -1.977 -9.850 358 2HB LYS 45 2HB LYS 45 6.272 -3.198 -9.037 359 1HG LYS 45 1HG LYS 45 7.713 -1.368 -9.372 360 2HG LYS 45 2HG LYS 45 8.217 -2.617 -10.509 361 1HD LYS 45 1HD LYS 45 7.006 -1.401 -12.333 362 2HD LYS 45 2HD LYS 45 6.537 -0.153 -11.154 363 1HE LYS 45 1HE LYS 45 8.919 0.324 -10.695 364 2HE LYS 45 2HE LYS 45 9.409 -0.929 -11.853 365 1HZ LYS 45 1HZ LYS 45 9.478 1.303 -12.825 366 2HZ LYS 45 2HZ LYS 45 8.375 0.384 -13.608 367 3HZ LYS 45 3HZ LYS 45 7.855 1.493 -12.558 368 H LEU 46 H LEU 46 3.404 -4.273 -10.088 369 HA LEU 46 HA LEU 46 4.054 -6.340 -8.327 370 1HB LEU 46 1HB LEU 46 1.434 -6.483 -9.836 371 2HB LEU 46 2HB LEU 46 1.795 -7.035 -8.207 372 HG LEU 46 HG LEU 46 1.477 -4.225 -9.201 373 1HD1 LEU 46 1HD1 LEU 46 -0.454 -4.111 -7.959 374 2HD1 LEU 46 2HD1 LEU 46 -0.554 -5.589 -8.916 375 3HD1 LEU 46 3HD1 LEU 46 -0.179 -5.700 -7.179 376 1HD2 LEU 46 1HD2 LEU 46 1.661 -3.468 -6.854 377 2HD2 LEU 46 2HD2 LEU 46 2.239 -5.103 -6.412 378 3HD2 LEU 46 3HD2 LEU 46 3.181 -4.072 -7.490 379 H GLN 47 H GLN 47 3.007 -6.637 -11.735 380 HA GLN 47 HA GLN 47 3.163 -9.527 -11.648 381 1HB GLN 47 1HB GLN 47 2.631 -9.503 -13.981 382 2HB GLN 47 2HB GLN 47 1.599 -8.374 -13.123 383 1HG GLN 47 1HG GLN 47 2.852 -6.472 -13.981 384 2HG GLN 47 2HG GLN 47 4.080 -7.529 -14.689 385 1HE2 GLN 47 1HE2 GLN 47 0.432 -7.279 -14.755 386 2HE2 GLN 47 2HE2 GLN 47 0.322 -7.487 -16.480 387 H ALA 48 H ALA 48 5.789 -7.633 -11.344 388 HA ALA 48 HA ALA 48 7.471 -9.178 -13.255 389 1HB ALA 48 1HB ALA 48 7.505 -6.751 -13.446 390 2HB ALA 48 2HB ALA 48 8.039 -6.592 -11.755 391 3HB ALA 48 3HB ALA 48 9.091 -7.371 -12.934 392 H GLY 49 H GLY 49 6.612 -9.397 -9.933 393 1HA GLY 49 1HA GLY 49 8.493 -11.333 -9.339 394 2HA GLY 49 2HA GLY 49 9.306 -9.810 -8.941 395 H GLY 50 H GLY 50 9.402 -10.513 -6.768 396 1HA GLY 50 1HA GLY 50 7.110 -11.435 -5.301 397 2HA GLY 50 2HA GLY 50 8.747 -11.136 -4.701 398 H TYR 51 H TYR 51 6.414 -8.834 -6.161 399 HA TYR 51 HA TYR 51 6.735 -6.964 -3.900 400 1HB TYR 51 1HB TYR 51 4.862 -6.834 -6.291 401 2HB TYR 51 2HB TYR 51 5.211 -5.540 -5.152 402 HD1 TYR 51 1HD TYR 51 6.524 -7.583 -7.956 403 HD2 TYR 51 2HD TYR 51 7.312 -4.234 -5.345 404 HE1 TYR 51 1HE TYR 51 8.406 -6.907 -9.393 405 HE2 TYR 51 2HE TYR 51 9.110 -3.486 -6.880 406 HH TYR 51 HH TYR 51 10.088 -3.799 -8.953 407 H GLY 52 H GLY 52 6.080 -8.423 -2.278 408 1HA GLY 52 1HA GLY 52 3.500 -9.794 -2.405 409 2HA GLY 52 2HA GLY 52 4.732 -9.935 -1.173 410 H PHE 53 H PHE 53 4.320 -6.654 -1.519 411 HA PHE 53 HA PHE 53 1.836 -6.365 -0.025 412 1HB PHE 53 1HB PHE 53 3.978 -6.531 1.528 413 2HB PHE 53 2HB PHE 53 4.333 -4.929 0.929 414 HD1 PHE 53 1HD PHE 53 2.042 -3.275 1.073 415 HD2 PHE 53 2HD PHE 53 2.965 -6.647 3.605 416 HE1 PHE 53 1HE PHE 53 0.603 -2.370 2.861 417 HE2 PHE 53 2HE PHE 53 1.602 -5.708 5.375 418 HZ PHE 53 HZ PHE 53 0.420 -3.503 5.027 419 H VAL 54 H VAL 54 0.766 -4.549 -0.791 420 HA VAL 54 HA VAL 54 2.236 -2.842 -2.743 421 HB VAL 54 HB VAL 54 -0.523 -4.106 -3.037 422 1HG1 VAL 54 1HG1 VAL 54 -0.270 -3.389 -5.435 423 2HG1 VAL 54 2HG1 VAL 54 -0.449 -2.038 -4.324 424 3HG1 VAL 54 3HG1 VAL 54 1.157 -2.449 -4.969 425 1HG2 VAL 54 1HG2 VAL 54 2.219 -4.840 -4.118 426 2HG2 VAL 54 2HG2 VAL 54 1.045 -5.865 -3.266 427 3HG2 VAL 54 3HG2 VAL 54 0.721 -5.332 -4.913 428 H ILE 55 H ILE 55 2.455 -1.027 -1.580 429 HA ILE 55 HA ILE 55 0.080 0.130 -0.278 430 HB ILE 55 HB ILE 55 2.912 1.187 -0.063 431 1HG1 ILE 55 1HG1 ILE 55 1.531 -0.903 1.619 432 2HG1 ILE 55 2HG1 ILE 55 3.070 -1.069 0.776 433 1HG2 ILE 55 1HG2 ILE 55 0.413 1.518 1.647 434 2HG2 ILE 55 2HG2 ILE 55 1.960 2.344 1.903 435 3HG2 ILE 55 3HG2 ILE 55 1.018 2.705 0.475 436 1HD1 ILE 55 1HD1 ILE 55 2.604 0.645 3.251 437 2HD1 ILE 55 2HD1 ILE 55 3.363 -0.930 3.191 438 3HD1 ILE 55 3HD1 ILE 55 4.148 0.434 2.372 439 H SER 56 H SER 56 -0.835 1.966 -1.222 440 HA SER 56 HA SER 56 0.567 3.193 -3.492 441 1HB SER 56 1HB SER 56 -1.134 1.151 -4.063 442 2HB SER 56 2HB SER 56 -2.303 2.475 -3.979 443 HG SER 56 HG SER 56 -1.329 3.444 -5.712 444 H ASP 57 H ASP 57 -0.583 4.949 -4.271 445 HA ASP 57 HA ASP 57 -1.633 7.033 -2.790 446 1HB ASP 57 1HB ASP 57 -2.173 7.849 -5.002 447 2HB ASP 57 2HB ASP 57 -0.721 6.893 -5.212 448 H TRP 58 H TRP 58 -3.786 7.892 -3.715 449 HA TRP 58 HA TRP 58 -5.929 5.841 -3.832 450 1HB TRP 58 1HB TRP 58 -6.269 7.149 -1.775 451 2HB TRP 58 2HB TRP 58 -6.225 8.658 -2.702 452 HD1 TRP 58 HD TRP 58 -8.421 9.290 -4.068 453 HE1 TRP 58 1HE TRP 58 -10.762 8.348 -4.210 454 HE3 TRP 58 3HE TRP 58 -7.527 4.779 -1.892 455 HZ2 TRP 58 2HZ TRP 58 -12.157 5.915 -3.326 456 HZ3 TRP 58 3HZ TRP 58 -9.423 3.205 -1.450 457 HH2 TRP 58 HH TRP 58 -11.679 3.773 -2.101 458 H ASN 59 H ASN 59 -4.623 8.989 -4.919 459 HA ASN 59 HA ASN 59 -6.740 9.117 -6.981 460 1HB ASN 59 1HB ASN 59 -6.921 10.647 -5.061 461 2HB ASN 59 2HB ASN 59 -5.307 11.272 -5.412 462 1HD2 ASN 59 1HD2 ASN 59 -7.531 10.657 -8.200 463 2HD2 ASN 59 2HD2 ASN 59 -7.824 12.352 -8.453 464 H MET 60 H MET 60 -4.479 7.697 -7.734 465 HA MET 60 HA MET 60 -2.422 9.182 -8.914 466 1HB MET 60 1HB MET 60 -2.259 6.798 -8.639 467 2HB MET 60 2HB MET 60 -3.653 6.505 -9.685 468 1HG MET 60 1HG MET 60 -1.467 8.055 -10.927 469 2HG MET 60 2HG MET 60 -0.989 6.478 -10.410 470 1HE MET 60 1HE MET 60 -0.552 7.034 -13.614 471 2HE MET 60 2HE MET 60 -2.054 7.253 -14.486 472 3HE MET 60 3HE MET 60 -1.582 8.422 -13.242 473 HA PRO 61 HA PRO 61 -4.558 11.246 -12.258 474 1HB PRO 61 1HB PRO 61 -2.394 11.743 -13.995 475 2HB PRO 61 2HB PRO 61 -2.860 12.661 -12.560 476 1HG PRO 61 1HG PRO 61 -0.825 10.433 -12.756 477 2HG PRO 61 2HG PRO 61 -0.648 12.044 -11.996 478 1HD PRO 61 1HD PRO 61 -1.211 9.968 -10.452 479 2HD PRO 61 2HD PRO 61 -2.128 11.467 -10.217 480 H ASN 62 H ASN 62 -4.626 8.201 -12.535 481 HA ASN 62 HA ASN 62 -6.110 8.456 -14.843 482 1HB ASN 62 1HB ASN 62 -3.737 7.959 -15.936 483 2HB ASN 62 2HB ASN 62 -4.042 6.302 -15.489 484 1HD2 ASN 62 1HD2 ASN 62 -3.898 7.462 -18.189 485 2HD2 ASN 62 2HD2 ASN 62 -5.467 7.249 -18.923 486 H MET 63 H MET 63 -4.285 5.716 -13.511 487 HA MET 63 HA MET 63 -6.746 4.179 -12.930 488 1HB MET 63 1HB MET 63 -4.944 3.163 -14.323 489 2HB MET 63 2HB MET 63 -3.796 3.383 -12.998 490 1HG MET 63 1HG MET 63 -5.074 1.847 -11.582 491 2HG MET 63 2HG MET 63 -6.331 1.722 -12.831 492 1HE MET 63 1HE MET 63 -5.372 -0.936 -11.806 493 2HE MET 63 2HE MET 63 -6.416 -0.724 -13.225 494 3HE MET 63 3HE MET 63 -5.006 -1.798 -13.317 495 H ASP 64 H ASP 64 -7.310 5.556 -11.184 496 HA ASP 64 HA ASP 64 -5.899 6.419 -8.967 497 1HB ASP 64 1HB ASP 64 -8.650 5.163 -9.132 498 2HB ASP 64 2HB ASP 64 -8.094 5.973 -7.705 499 H GLY 65 H GLY 65 -5.459 5.511 -6.843 500 1HA GLY 65 1HA GLY 65 -4.399 2.944 -6.766 501 2HA GLY 65 2HA GLY 65 -4.823 3.922 -5.357 502 H LEU 66 H LEU 66 -7.727 3.965 -6.230 503 HA LEU 66 HA LEU 66 -8.548 1.567 -4.843 504 1HB LEU 66 1HB LEU 66 -9.737 3.840 -4.846 505 2HB LEU 66 2HB LEU 66 -10.381 3.438 -6.430 506 HG LEU 66 HG LEU 66 -11.788 3.103 -4.302 507 1HD1 LEU 66 1HD1 LEU 66 -11.720 0.774 -6.196 508 2HD1 LEU 66 2HD1 LEU 66 -12.999 1.155 -5.013 509 3HD1 LEU 66 3HD1 LEU 66 -12.677 2.267 -6.348 510 1HD2 LEU 66 1HD2 LEU 66 -10.417 0.416 -4.190 511 2HD2 LEU 66 2HD2 LEU 66 -10.018 1.747 -3.075 512 3HD2 LEU 66 3HD2 LEU 66 -11.653 1.055 -3.098 513 H GLU 67 H GLU 67 -8.246 2.549 -8.236 514 HA GLU 67 HA GLU 67 -9.649 0.193 -9.253 515 1HB GLU 67 1HB GLU 67 -8.053 2.414 -10.615 516 2HB GLU 67 2HB GLU 67 -8.855 1.094 -11.464 517 1HG GLU 67 1HG GLU 67 -10.239 3.144 -9.670 518 2HG GLU 67 2HG GLU 67 -10.247 3.139 -11.433 519 H LEU 68 H LEU 68 -6.315 1.255 -8.622 520 HA LEU 68 HA LEU 68 -4.990 -1.041 -9.703 521 1HB LEU 68 1HB LEU 68 -3.750 0.929 -8.921 522 2HB LEU 68 2HB LEU 68 -4.311 0.651 -7.277 523 HG LEU 68 HG LEU 68 -3.126 -1.575 -7.280 524 1HD1 LEU 68 1HD1 LEU 68 -1.294 -1.869 -8.971 525 2HD1 LEU 68 2HD1 LEU 68 -2.914 -1.999 -9.675 526 3HD1 LEU 68 3HD1 LEU 68 -1.977 -0.512 -9.888 527 1HD2 LEU 68 1HD2 LEU 68 -2.178 0.404 -6.219 528 2HD2 LEU 68 2HD2 LEU 68 -0.903 -0.598 -6.924 529 3HD2 LEU 68 3HD2 LEU 68 -1.432 0.898 -7.734 530 H LEU 69 H LEU 69 -6.309 -0.445 -6.413 531 HA LEU 69 HA LEU 69 -5.968 -3.045 -5.321 532 1HB LEU 69 1HB LEU 69 -6.622 -1.543 -3.734 533 2HB LEU 69 2HB LEU 69 -7.750 -0.709 -4.793 534 HG LEU 69 HG LEU 69 -9.462 -2.252 -4.465 535 1HD1 LEU 69 1HD1 LEU 69 -7.909 -4.416 -3.975 536 2HD1 LEU 69 2HD1 LEU 69 -8.180 -3.893 -2.310 537 3HD1 LEU 69 3HD1 LEU 69 -9.550 -4.235 -3.342 538 1HD2 LEU 69 1HD2 LEU 69 -9.773 -2.004 -1.978 539 2HD2 LEU 69 2HD2 LEU 69 -8.054 -1.575 -1.869 540 3HD2 LEU 69 3HD2 LEU 69 -9.156 -0.524 -2.729 541 H LYS 70 H LYS 70 -8.896 -1.701 -7.047 542 HA LYS 70 HA LYS 70 -10.251 -4.194 -6.906 543 1HB LYS 70 1HB LYS 70 -10.639 -1.797 -8.728 544 2HB LYS 70 2HB LYS 70 -11.647 -3.247 -8.774 545 1HG LYS 70 1HG LYS 70 -12.109 -2.994 -6.335 546 2HG LYS 70 2HG LYS 70 -11.279 -1.447 -6.344 547 1HD LYS 70 1HD LYS 70 -12.909 -0.508 -7.911 548 2HD LYS 70 2HD LYS 70 -13.582 -2.110 -8.234 549 1HE LYS 70 1HE LYS 70 -13.923 -1.967 -5.527 550 2HE LYS 70 2HE LYS 70 -14.110 -0.259 -5.967 551 1HZ LYS 70 1HZ LYS 70 -15.850 -1.020 -7.551 552 2HZ LYS 70 2HZ LYS 70 -15.626 -2.563 -7.009 553 3HZ LYS 70 3HZ LYS 70 -16.202 -1.402 -5.996 554 H THR 71 H THR 71 -7.945 -3.061 -9.361 555 HA THR 71 HA THR 71 -8.401 -5.231 -11.197 556 HB THR 71 HB THR 71 -6.029 -3.372 -10.721 557 HG1 THR 71 1HG THR 71 -7.742 -2.231 -11.341 558 1HG2 THR 71 1HG2 THR 71 -5.268 -5.348 -11.997 559 2HG2 THR 71 2HG2 THR 71 -6.593 -5.121 -13.153 560 3HG2 THR 71 3HG2 THR 71 -5.318 -3.910 -13.009 561 H ILE 72 H ILE 72 -6.139 -4.737 -8.412 562 HA ILE 72 HA ILE 72 -4.763 -7.232 -8.640 563 HB ILE 72 HB ILE 72 -5.317 -5.211 -6.422 564 1HG1 ILE 72 1HG1 ILE 72 -2.666 -6.108 -7.650 565 2HG1 ILE 72 2HG1 ILE 72 -3.628 -4.793 -8.309 566 1HG2 ILE 72 1HG2 ILE 72 -5.242 -7.249 -5.160 567 2HG2 ILE 72 2HG2 ILE 72 -3.916 -7.870 -6.145 568 3HG2 ILE 72 3HG2 ILE 72 -3.639 -6.538 -5.022 569 1HD1 ILE 72 1HD1 ILE 72 -2.204 -4.854 -5.632 570 2HD1 ILE 72 2HD1 ILE 72 -2.152 -3.630 -6.902 571 3HD1 ILE 72 3HD1 ILE 72 -3.574 -3.744 -5.912 572 H ARG 73 H ARG 73 -7.606 -6.203 -6.761 573 HA ARG 73 HA ARG 73 -8.314 -8.654 -5.605 574 1HB ARG 73 1HB ARG 73 -9.467 -5.984 -5.831 575 2HB ARG 73 2HB ARG 73 -10.725 -7.176 -5.995 576 1HG ARG 73 1HG ARG 73 -8.647 -7.310 -3.763 577 2HG ARG 73 2HG ARG 73 -10.113 -6.351 -3.619 578 1HD ARG 73 1HD ARG 73 -10.168 -9.331 -4.221 579 2HD ARG 73 2HD ARG 73 -10.233 -8.643 -2.600 580 HE ARG 73 HE ARG 73 -12.288 -7.526 -3.116 581 1HH1 ARG 73 2HH2 ARG 73 -11.430 -9.873 -5.754 582 2HH1 ARG 73 1HH2 ARG 73 -13.111 -10.107 -6.116 583 1HH2 ARG 73 2HH1 ARG 73 -14.439 -7.956 -3.747 584 2HH2 ARG 73 1HH1 ARG 73 -14.727 -9.010 -5.138 585 H ALA 74 H ALA 74 -8.898 -7.506 -8.896 586 HA ALA 74 HA ALA 74 -11.001 -9.279 -9.574 587 1HB ALA 74 1HB ALA 74 -8.879 -8.191 -11.456 588 2HB ALA 74 2HB ALA 74 -10.500 -8.737 -11.861 589 3HB ALA 74 3HB ALA 74 -10.294 -7.258 -10.910 590 H ASP 75 H ASP 75 -7.895 -10.118 -8.631 591 HA ASP 75 HA ASP 75 -7.326 -12.182 -8.024 592 1HB ASP 75 1HB ASP 75 -9.909 -12.583 -8.576 593 2HB ASP 75 2HB ASP 75 -9.215 -13.629 -9.818 594 H GLY 76 H GLY 76 -6.154 -10.790 -10.253 595 1HA GLY 76 1HA GLY 76 -5.241 -12.608 -12.300 596 2HA GLY 76 2HA GLY 76 -4.618 -11.006 -11.931 597 H ALA 77 H ALA 77 -4.821 -13.858 -9.877 598 HA ALA 77 HA ALA 77 -3.407 -15.159 -8.709 599 1HB ALA 77 1HB ALA 77 -0.992 -13.890 -10.025 600 2HB ALA 77 2HB ALA 77 -1.103 -15.430 -9.185 601 3HB ALA 77 3HB ALA 77 -1.916 -15.239 -10.747 602 H MET 78 H MET 78 -3.997 -12.091 -8.321 603 HA MET 78 HA MET 78 -1.920 -11.438 -6.289 604 1HB MET 78 1HB MET 78 -3.484 -9.727 -8.255 605 2HB MET 78 2HB MET 78 -2.413 -9.112 -7.004 606 1HG MET 78 1HG MET 78 -0.546 -10.477 -7.885 607 2HG MET 78 2HG MET 78 -1.567 -10.961 -9.232 608 1HE MET 78 1HE MET 78 1.013 -8.613 -10.909 609 2HE MET 78 2HE MET 78 1.378 -9.556 -9.447 610 3HE MET 78 3HE MET 78 0.393 -10.265 -10.745 611 H SER 79 H SER 79 -4.986 -12.574 -6.198 612 HA SER 79 HA SER 79 -6.529 -10.680 -4.813 613 1HB SER 79 1HB SER 79 -7.591 -12.989 -4.009 614 2HB SER 79 2HB SER 79 -7.735 -12.428 -5.681 615 HG SER 79 HG SER 79 -6.954 -14.319 -6.093 616 H ALA 80 H ALA 80 -4.045 -13.004 -3.587 617 HA ALA 80 HA ALA 80 -4.860 -12.623 -0.840 618 1HB ALA 80 1HB ALA 80 -3.760 -14.678 -1.613 619 2HB ALA 80 2HB ALA 80 -2.273 -13.754 -1.964 620 3HB ALA 80 3HB ALA 80 -2.856 -13.904 -0.300 621 H LEU 81 H LEU 81 -3.064 -10.556 -2.957 622 HA LEU 81 HA LEU 81 -1.023 -9.634 -1.306 623 1HB LEU 81 1HB LEU 81 -2.719 -8.197 -3.380 624 2HB LEU 81 2HB LEU 81 -1.424 -7.378 -2.536 625 HG LEU 81 HG LEU 81 -1.023 -9.827 -4.305 626 1HD1 LEU 81 1HD1 LEU 81 -0.613 -6.853 -4.656 627 2HD1 LEU 81 2HD1 LEU 81 0.079 -8.066 -5.773 628 3HD1 LEU 81 3HD1 LEU 81 -1.673 -7.856 -5.562 629 1HD2 LEU 81 1HD2 LEU 81 0.969 -8.044 -2.826 630 2HD2 LEU 81 2HD2 LEU 81 0.709 -9.782 -2.593 631 3HD2 LEU 81 3HD2 LEU 81 1.393 -9.202 -4.104 632 HA PRO 82 HA PRO 82 -3.283 -6.936 1.611 633 1HB PRO 82 1HB PRO 82 -1.153 -5.833 2.864 634 2HB PRO 82 2HB PRO 82 -1.785 -7.464 3.252 635 1HG PRO 82 1HG PRO 82 0.593 -6.707 1.630 636 2HG PRO 82 2HG PRO 82 0.392 -8.098 2.724 637 1HD PRO 82 1HD PRO 82 0.138 -8.094 -0.105 638 2HD PRO 82 2HD PRO 82 -0.471 -9.383 0.965 639 H VAL 83 H VAL 83 -4.121 -5.337 0.396 640 HA VAL 83 HA VAL 83 -2.407 -3.466 -1.154 641 HB VAL 83 HB VAL 83 -4.749 -2.823 -2.100 642 1HG1 VAL 83 1HG1 VAL 83 -2.974 -3.775 -3.444 643 2HG1 VAL 83 2HG1 VAL 83 -3.386 -5.422 -2.893 644 3HG1 VAL 83 3HG1 VAL 83 -4.528 -4.479 -3.885 645 1HG2 VAL 83 1HG2 VAL 83 -6.198 -4.145 -0.672 646 2HG2 VAL 83 2HG2 VAL 83 -6.266 -4.783 -2.326 647 3HG2 VAL 83 3HG2 VAL 83 -5.372 -5.654 -1.107 648 H LEU 84 H LEU 84 -1.981 -1.626 -0.115 649 HA LEU 84 HA LEU 84 -3.797 -0.794 2.108 650 1HB LEU 84 1HB LEU 84 -1.743 -1.814 2.903 651 2HB LEU 84 2HB LEU 84 -0.773 -0.734 1.894 652 HG LEU 84 HG LEU 84 -1.376 1.199 3.226 653 1HD1 LEU 84 1HD1 LEU 84 -3.688 0.816 3.760 654 2HD1 LEU 84 2HD1 LEU 84 -3.289 -0.684 4.647 655 3HD1 LEU 84 3HD1 LEU 84 -2.812 0.915 5.282 656 1HD2 LEU 84 1HD2 LEU 84 0.434 -0.269 4.086 657 2HD2 LEU 84 2HD2 LEU 84 -0.427 0.529 5.406 658 3HD2 LEU 84 3HD2 LEU 84 -0.751 -1.178 5.048 659 H MET 85 H MET 85 -4.806 1.025 1.642 660 HA MET 85 HA MET 85 -3.763 2.829 -0.464 661 1HB MET 85 1HB MET 85 -6.299 3.090 1.176 662 2HB MET 85 2HB MET 85 -5.948 3.881 -0.348 663 1HG MET 85 1HG MET 85 -6.249 0.855 -0.132 664 2HG MET 85 2HG MET 85 -7.634 1.913 -0.209 665 1HE MET 85 1HE MET 85 -4.282 2.536 -2.395 666 2HE MET 85 2HE MET 85 -4.381 0.780 -2.106 667 3HE MET 85 3HE MET 85 -4.649 1.462 -3.726 668 H VAL 86 H VAL 86 -2.722 4.710 0.020 669 HA VAL 86 HA VAL 86 -2.868 5.789 2.782 670 HB VAL 86 HB VAL 86 -0.406 5.460 1.004 671 1HG1 VAL 86 1HG1 VAL 86 -0.296 7.519 2.386 672 2HG1 VAL 86 2HG1 VAL 86 -0.648 6.552 3.850 673 3HG1 VAL 86 3HG1 VAL 86 0.852 6.313 2.924 674 1HG2 VAL 86 1HG2 VAL 86 -1.020 3.322 2.029 675 2HG2 VAL 86 2HG2 VAL 86 0.404 3.980 2.845 676 3HG2 VAL 86 3HG2 VAL 86 -1.190 4.087 3.621 677 H THR 87 H THR 87 -3.442 7.948 2.757 678 HA THR 87 HA THR 87 -2.988 9.628 0.422 679 HB THR 87 HB THR 87 -4.795 8.371 -0.493 680 HG1 THR 87 1HG THR 87 -5.146 10.600 -0.760 681 1HG2 THR 87 1HG2 THR 87 -6.397 8.805 2.066 682 2HG2 THR 87 2HG2 THR 87 -6.951 8.030 0.561 683 3HG2 THR 87 3HG2 THR 87 -5.702 7.255 1.527 684 H ALA 88 H ALA 88 -4.219 11.781 0.804 685 HA ALA 88 HA ALA 88 -4.079 12.511 3.687 686 1HB ALA 88 1HB ALA 88 -4.266 14.804 2.898 687 2HB ALA 88 2HB ALA 88 -2.952 13.989 2.026 688 3HB ALA 88 3HB ALA 88 -4.517 14.253 1.229 689 H GLU 89 H GLU 89 -6.419 11.374 1.363 690 HA GLU 89 HA GLU 89 -8.462 13.280 2.130 691 1HB GLU 89 1HB GLU 89 -8.507 10.850 0.296 692 2HB GLU 89 2HB GLU 89 -9.851 11.977 0.552 693 1HG GLU 89 1HG GLU 89 -8.064 13.833 -0.017 694 2HG GLU 89 2HG GLU 89 -7.140 12.507 -0.714 695 H ALA 90 H ALA 90 -9.788 13.122 3.835 696 HA ALA 90 HA ALA 90 -10.295 10.506 5.112 697 1HB ALA 90 1HB ALA 90 -11.209 13.307 5.845 698 2HB ALA 90 2HB ALA 90 -11.395 11.841 6.839 699 3HB ALA 90 3HB ALA 90 -9.788 12.503 6.506 700 H LYS 91 H LYS 91 -11.427 11.786 2.377 701 HA LYS 91 HA LYS 91 -14.117 12.267 2.480 702 1HB LYS 91 1HB LYS 91 -12.973 12.736 0.532 703 2HB LYS 91 2HB LYS 91 -12.353 11.099 0.353 704 1HG LYS 91 1HG LYS 91 -14.468 10.274 -0.386 705 2HG LYS 91 2HG LYS 91 -15.313 11.753 0.100 706 1HD LYS 91 1HD LYS 91 -14.158 13.047 -1.637 707 2HD LYS 91 2HD LYS 91 -13.105 11.686 -2.007 708 1HE LYS 91 1HE LYS 91 -14.731 11.753 -3.733 709 2HE LYS 91 2HE LYS 91 -15.094 10.353 -2.739 710 1HZ LYS 91 1HZ LYS 91 -16.865 11.655 -1.686 711 2HZ LYS 91 2HZ LYS 91 -16.479 12.968 -2.578 712 3HZ LYS 91 3HZ LYS 91 -17.055 11.631 -3.335 713 H LYS 92 H LYS 92 -15.767 11.193 3.266 714 HA LYS 92 HA LYS 92 -15.682 8.586 4.196 715 1HB LYS 92 1HB LYS 92 -18.182 10.053 3.231 716 2HB LYS 92 2HB LYS 92 -18.151 8.599 4.226 717 1HG LYS 92 1HG LYS 92 -16.796 9.917 5.953 718 2HG LYS 92 2HG LYS 92 -17.083 11.358 4.968 719 1HD LYS 92 1HD LYS 92 -18.728 11.369 6.693 720 2HD LYS 92 2HD LYS 92 -19.575 10.931 5.194 721 1HE LYS 92 1HE LYS 92 -19.376 8.514 5.850 722 2HE LYS 92 2HE LYS 92 -18.554 9.005 7.340 723 1HZ LYS 92 1HZ LYS 92 -21.305 9.726 6.568 724 2HZ LYS 92 2HZ LYS 92 -20.898 8.532 7.593 725 3HZ LYS 92 3HZ LYS 92 -20.589 10.132 7.999 726 H GLU 93 H GLU 93 -17.064 9.595 1.021 727 HA GLU 93 HA GLU 93 -17.718 7.152 -0.089 728 1HB GLU 93 1HB GLU 93 -16.639 9.740 -1.108 729 2HB GLU 93 2HB GLU 93 -16.438 8.393 -2.211 730 1HG GLU 93 1HG GLU 93 -19.076 9.220 -0.965 731 2HG GLU 93 2HG GLU 93 -18.515 9.728 -2.558 732 H ASN 94 H ASN 94 -14.365 8.488 0.179 733 HA ASN 94 HA ASN 94 -13.184 6.389 -1.341 734 1HB ASN 94 1HB ASN 94 -11.880 8.101 0.803 735 2HB ASN 94 2HB ASN 94 -11.060 7.062 -0.359 736 1HD2 ASN 94 1HD2 ASN 94 -9.984 9.313 -0.448 737 2HD2 ASN 94 2HD2 ASN 94 -10.582 10.454 -1.646 738 H ILE 95 H ILE 95 -13.691 6.977 2.159 739 HA ILE 95 HA ILE 95 -12.368 4.612 3.077 740 HB ILE 95 HB ILE 95 -14.626 6.257 4.322 741 1HG1 ILE 95 1HG1 ILE 95 -12.795 6.449 6.135 742 2HG1 ILE 95 2HG1 ILE 95 -11.669 5.809 4.950 743 1HG2 ILE 95 1HG2 ILE 95 -13.273 3.781 5.457 744 2HG2 ILE 95 2HG2 ILE 95 -14.328 4.869 6.378 745 3HG2 ILE 95 3HG2 ILE 95 -15.004 3.937 5.055 746 1HD1 ILE 95 1HD1 ILE 95 -12.079 7.795 3.535 747 2HD1 ILE 95 2HD1 ILE 95 -13.350 8.339 4.667 748 3HD1 ILE 95 3HD1 ILE 95 -11.659 8.298 5.182 749 H ILE 96 H ILE 96 -15.927 5.067 2.164 750 HA ILE 96 HA ILE 96 -16.626 2.379 2.595 751 HB ILE 96 HB ILE 96 -17.612 4.650 0.825 752 1HG1 ILE 96 1HG1 ILE 96 -19.324 3.407 2.981 753 2HG1 ILE 96 2HG1 ILE 96 -17.814 4.095 3.576 754 1HG2 ILE 96 1HG2 ILE 96 -18.364 2.705 -0.403 755 2HG2 ILE 96 2HG2 ILE 96 -18.919 1.912 1.092 756 3HG2 ILE 96 3HG2 ILE 96 -19.733 3.369 0.483 757 1HD1 ILE 96 1HD1 ILE 96 -18.363 6.176 2.163 758 2HD1 ILE 96 2HD1 ILE 96 -19.988 5.522 2.066 759 3HD1 ILE 96 3HD1 ILE 96 -19.234 5.901 3.665 760 H ALA 97 H ALA 97 -15.611 4.017 -0.484 761 HA ALA 97 HA ALA 97 -15.714 1.887 -2.226 762 1HB ALA 97 1HB ALA 97 -15.219 4.148 -2.983 763 2HB ALA 97 2HB ALA 97 -13.733 4.196 -2.055 764 3HB ALA 97 3HB ALA 97 -13.866 3.109 -3.453 765 H ALA 98 H ALA 98 -12.936 2.827 -0.147 766 HA ALA 98 HA ALA 98 -11.195 0.774 -0.975 767 1HB ALA 98 1HB ALA 98 -11.391 2.094 1.790 768 2HB ALA 98 2HB ALA 98 -9.971 1.261 1.119 769 3HB ALA 98 3HB ALA 98 -10.550 2.780 0.403 770 H ALA 99 H ALA 99 -13.421 0.865 1.895 771 HA ALA 99 HA ALA 99 -12.779 -1.824 2.693 772 1HB ALA 99 1HB ALA 99 -13.573 -0.237 4.274 773 2HB ALA 99 2HB ALA 99 -15.101 0.017 3.388 774 3HB ALA 99 3HB ALA 99 -14.769 -1.536 4.194 775 H GLN 100 H GLN 100 -15.117 -0.575 0.382 776 HA GLN 100 HA GLN 100 -16.711 -2.965 0.082 777 1HB GLN 100 1HB GLN 100 -16.240 -0.457 -1.583 778 2HB GLN 100 2HB GLN 100 -17.289 -1.756 -2.123 779 1HG GLN 100 1HG GLN 100 -17.733 -0.489 0.608 780 2HG GLN 100 2HG GLN 100 -18.301 0.289 -0.871 781 1HE2 GLN 100 1HE2 GLN 100 -18.698 -2.663 1.190 782 2HE2 GLN 100 2HE2 GLN 100 -20.219 -3.089 0.420 783 H ALA 101 H ALA 101 -14.069 -1.462 -1.981 784 HA ALA 101 HA ALA 101 -13.782 -3.578 -3.770 785 1HB ALA 101 1HB ALA 101 -12.782 -1.317 -3.997 786 2HB ALA 101 2HB ALA 101 -11.778 -1.608 -2.591 787 3HB ALA 101 3HB ALA 101 -11.537 -2.581 -4.066 788 H GLY 102 H GLY 102 -12.493 -3.047 -0.525 789 1HA GLY 102 1HA GLY 102 -12.464 -4.952 0.972 790 2HA GLY 102 2HA GLY 102 -11.808 -5.947 -0.336 791 H ALA 103 H ALA 103 -10.689 -2.629 0.293 792 HA ALA 103 HA ALA 103 -8.032 -3.324 0.011 793 1HB ALA 103 1HB ALA 103 -9.179 -0.957 -0.036 794 2HB ALA 103 2HB ALA 103 -8.824 -0.930 1.687 795 3HB ALA 103 3HB ALA 103 -7.498 -1.111 0.510 796 H SER 104 H SER 104 -6.350 -3.798 1.417 797 HA SER 104 HA SER 104 -6.961 -4.936 3.986 798 1HB SER 104 1HB SER 104 -4.246 -4.415 2.728 799 2HB SER 104 2HB SER 104 -4.727 -5.700 3.849 800 HG SER 104 HG SER 104 -6.237 -6.366 2.150 801 H GLY 105 H GLY 105 -6.374 -1.713 2.981 802 1HA GLY 105 1HA GLY 105 -7.084 -0.910 5.511 803 2HA GLY 105 2HA GLY 105 -5.349 -0.589 5.393 804 H TYR 106 H TYR 106 -7.141 1.491 5.692 805 HA TYR 106 HA TYR 106 -6.478 3.028 3.300 806 1HB TYR 106 1HB TYR 106 -8.883 2.427 3.080 807 2HB TYR 106 2HB TYR 106 -9.200 3.131 4.658 808 HD1 TYR 106 1HD TYR 106 -9.214 5.575 5.000 809 HD2 TYR 106 2HD TYR 106 -8.464 3.841 1.109 810 HE1 TYR 106 1HE TYR 106 -9.646 7.758 3.914 811 HE2 TYR 106 2HE TYR 106 -8.808 6.060 0.074 812 HH TYR 106 HH TYR 106 -9.227 8.989 1.991 813 H VAL 107 H VAL 107 -5.005 4.349 4.138 814 HA VAL 107 HA VAL 107 -5.123 5.157 6.998 815 HB VAL 107 HB VAL 107 -2.869 4.352 5.137 816 1HG1 VAL 107 1HG1 VAL 107 -2.634 5.705 7.852 817 2HG1 VAL 107 2HG1 VAL 107 -1.291 4.943 6.956 818 3HG1 VAL 107 3HG1 VAL 107 -2.093 6.364 6.289 819 1HG2 VAL 107 1HG2 VAL 107 -3.615 3.427 7.951 820 2HG2 VAL 107 2HG2 VAL 107 -4.043 2.557 6.469 821 3HG2 VAL 107 3HG2 VAL 107 -2.343 2.754 6.927 822 H VAL 108 H VAL 108 -5.939 7.149 7.049 823 HA VAL 108 HA VAL 108 -5.399 9.086 4.918 824 HB VAL 108 HB VAL 108 -6.797 9.682 7.561 825 1HG1 VAL 108 1HG1 VAL 108 -7.087 10.724 4.713 826 2HG1 VAL 108 2HG1 VAL 108 -7.987 11.313 6.130 827 3HG1 VAL 108 3HG1 VAL 108 -6.254 11.567 6.014 828 1HG2 VAL 108 1HG2 VAL 108 -8.017 7.721 6.750 829 2HG2 VAL 108 2HG2 VAL 108 -8.969 9.168 6.413 830 3HG2 VAL 108 3HG2 VAL 108 -8.025 8.406 5.108 831 H LYS 109 H LYS 109 -3.988 10.888 5.297 832 HA LYS 109 HA LYS 109 -2.167 10.749 7.548 833 1HB LYS 109 1HB LYS 109 -1.002 12.423 6.626 834 2HB LYS 109 2HB LYS 109 -1.892 11.932 5.200 835 1HG LYS 109 1HG LYS 109 -3.513 13.845 5.658 836 2HG LYS 109 2HG LYS 109 -2.423 14.354 6.975 837 1HD LYS 109 1HD LYS 109 -0.525 14.375 5.273 838 2HD LYS 109 2HD LYS 109 -1.716 14.027 4.031 839 1HE LYS 109 1HE LYS 109 -1.594 16.271 3.767 840 2HE LYS 109 2HE LYS 109 -2.906 16.223 4.945 841 1HZ LYS 109 1HZ LYS 109 -0.044 16.610 5.623 842 2HZ LYS 109 2HZ LYS 109 -1.081 17.841 5.375 843 3HZ LYS 109 3HZ LYS 109 -1.315 16.841 6.650 844 HA PRO 110 HA PRO 110 -1.102 12.343 9.140 845 1HB PRO 110 1HB PRO 110 -1.053 12.248 11.854 846 2HB PRO 110 2HB PRO 110 -1.396 13.775 10.979 847 1HG PRO 110 1HG PRO 110 -3.401 11.820 12.173 848 2HG PRO 110 2HG PRO 110 -3.327 13.586 12.395 849 1HD PRO 110 1HD PRO 110 -4.940 12.427 10.529 850 2HD PRO 110 2HD PRO 110 -4.153 14.005 10.228 851 H PHE 111 H PHE 111 0.131 10.455 9.303 852 HA PHE 111 HA PHE 111 -0.929 8.198 10.823 853 1HB PHE 111 1HB PHE 111 -0.544 6.583 9.060 854 2HB PHE 111 2HB PHE 111 -1.752 7.741 8.557 855 HD1 PHE 111 1HD PHE 111 -1.412 9.028 6.528 856 HD2 PHE 111 2HD PHE 111 1.751 6.584 8.124 857 HE1 PHE 111 1HE PHE 111 -0.122 9.326 4.444 858 HE2 PHE 111 2HE PHE 111 3.011 6.859 6.015 859 HZ PHE 111 HZ PHE 111 2.103 8.268 4.180 860 H THR 112 H THR 112 0.740 6.868 11.620 861 HA THR 112 HA THR 112 3.525 7.516 10.956 862 HB THR 112 HB THR 112 3.894 7.586 13.538 863 HG1 THR 112 1HG THR 112 2.261 8.373 14.719 864 1HG2 THR 112 1HG2 THR 112 3.782 9.954 13.593 865 2HG2 THR 112 2HG2 THR 112 4.378 9.407 12.019 866 3HG2 THR 112 3HG2 THR 112 2.708 9.989 12.169 867 H ALA 113 H ALA 113 4.847 6.080 12.731 868 HA ALA 113 HA ALA 113 4.648 3.431 11.893 869 1HB ALA 113 1HB ALA 113 6.670 4.557 12.861 870 2HB ALA 113 2HB ALA 113 5.893 4.498 14.462 871 3HB ALA 113 3HB ALA 113 6.294 3.015 13.606 872 H ALA 114 H ALA 114 3.157 5.144 14.620 873 HA ALA 114 HA ALA 114 2.187 2.983 16.114 874 1HB ALA 114 1HB ALA 114 0.801 5.663 15.584 875 2HB ALA 114 2HB ALA 114 0.473 4.564 16.938 876 3HB ALA 114 3HB ALA 114 2.043 5.372 16.819 877 H THR 115 H THR 115 0.727 4.383 13.114 878 HA THR 115 HA THR 115 -1.501 2.455 13.421 879 HB THR 115 HB THR 115 -1.772 4.964 12.776 880 HG1 THR 115 1HG THR 115 -3.613 4.068 12.677 881 1HG2 THR 115 1HG2 THR 115 -1.955 5.422 10.418 882 2HG2 THR 115 2HG2 THR 115 -0.277 4.989 10.803 883 3HG2 THR 115 3HG2 THR 115 -1.341 3.816 9.992 884 H LEU 116 H LEU 116 1.464 2.972 11.610 885 HA LEU 116 HA LEU 116 1.048 1.177 9.468 886 1HB LEU 116 1HB LEU 116 2.908 2.870 9.793 887 2HB LEU 116 2HB LEU 116 3.647 1.770 10.943 888 HG LEU 116 HG LEU 116 4.740 1.788 8.779 889 1HD1 LEU 116 1HD1 LEU 116 4.803 -0.269 10.191 890 2HD1 LEU 116 2HD1 LEU 116 3.515 -0.946 9.174 891 3HD1 LEU 116 3HD1 LEU 116 5.078 -0.534 8.468 892 1HD2 LEU 116 1HD2 LEU 116 2.225 0.569 7.583 893 2HD2 LEU 116 2HD2 LEU 116 2.821 2.219 7.305 894 3HD2 LEU 116 3HD2 LEU 116 3.775 0.835 6.765 895 H GLU 117 H GLU 117 2.538 0.598 12.711 896 HA GLU 117 HA GLU 117 2.976 -2.178 12.324 897 1HB GLU 117 1HB GLU 117 3.711 -2.167 14.566 898 2HB GLU 117 2HB GLU 117 4.114 -0.609 13.891 899 1HG GLU 117 1HG GLU 117 3.317 0.213 15.807 900 2HG GLU 117 2HG GLU 117 1.750 0.065 15.055 901 H GLU 118 H GLU 118 0.327 -0.365 13.754 902 HA GLU 118 HA GLU 118 -1.198 -2.495 14.843 903 1HB GLU 118 1HB GLU 118 -1.287 -0.236 15.571 904 2HB GLU 118 2HB GLU 118 -1.796 0.322 13.976 905 1HG GLU 118 1HG GLU 118 -3.622 0.307 15.492 906 2HG GLU 118 2HG GLU 118 -3.873 -0.836 14.169 907 H LYS 119 H LYS 119 -1.376 -0.779 11.678 908 HA LYS 119 HA LYS 119 -3.422 -2.425 10.538 909 1HB LYS 119 1HB LYS 119 -1.296 -0.599 9.456 910 2HB LYS 119 2HB LYS 119 -2.101 -1.686 8.338 911 1HG LYS 119 1HG LYS 119 -3.802 0.091 10.089 912 2HG LYS 119 2HG LYS 119 -2.947 0.767 8.709 913 1HD LYS 119 1HD LYS 119 -5.135 0.222 8.003 914 2HD LYS 119 2HD LYS 119 -4.006 -0.834 7.170 915 1HE LYS 119 1HE LYS 119 -5.420 -1.775 9.689 916 2HE LYS 119 2HE LYS 119 -6.303 -1.701 8.168 917 1HZ LYS 119 1HZ LYS 119 -3.891 -3.373 8.568 918 2HZ LYS 119 2HZ LYS 119 -5.470 -3.862 8.419 919 3HZ LYS 119 3HZ LYS 119 -4.759 -3.181 7.162 920 H LEU 120 H LEU 120 0.152 -2.787 10.707 921 HA LEU 120 HA LEU 120 0.348 -5.009 8.929 922 1HB LEU 120 1HB LEU 120 2.102 -3.951 11.140 923 2HB LEU 120 2HB LEU 120 2.422 -5.540 10.482 924 HG LEU 120 HG LEU 120 2.476 -2.932 8.941 925 1HD1 LEU 120 1HD1 LEU 120 4.360 -3.236 10.504 926 2HD1 LEU 120 2HD1 LEU 120 4.705 -4.821 9.799 927 3HD1 LEU 120 3HD1 LEU 120 4.901 -3.346 8.820 928 1HD2 LEU 120 1HD2 LEU 120 2.955 -5.780 8.008 929 2HD2 LEU 120 2HD2 LEU 120 1.796 -4.591 7.378 930 3HD2 LEU 120 3HD2 LEU 120 3.518 -4.339 7.122 931 H ASN 121 H ASN 121 0.234 -5.008 12.582 932 HA ASN 121 HA ASN 121 -0.050 -7.839 12.680 933 1HB ASN 121 1HB ASN 121 0.539 -6.670 14.695 934 2HB ASN 121 2HB ASN 121 -0.985 -5.781 14.702 935 1HD2 ASN 121 1HD2 ASN 121 -2.784 -6.770 15.620 936 2HD2 ASN 121 2HD2 ASN 121 -2.951 -8.493 15.934 937 H LYS 122 H LYS 122 -2.504 -5.322 12.222 938 HA LYS 122 HA LYS 122 -4.805 -6.948 12.436 939 1HB LYS 122 1HB LYS 122 -4.127 -4.337 11.240 940 2HB LYS 122 2HB LYS 122 -5.349 -5.181 10.333 941 1HG LYS 122 1HG LYS 122 -6.736 -5.408 12.350 942 2HG LYS 122 2HG LYS 122 -5.501 -4.609 13.315 943 1HD LYS 122 1HD LYS 122 -6.557 -3.193 10.861 944 2HD LYS 122 2HD LYS 122 -7.603 -3.292 12.261 945 1HE LYS 122 1HE LYS 122 -4.741 -2.226 12.474 946 2HE LYS 122 2HE LYS 122 -6.127 -1.193 12.106 947 1HZ LYS 122 1HZ LYS 122 -7.025 -2.510 14.253 948 2HZ LYS 122 2HZ LYS 122 -5.445 -2.499 14.594 949 3HZ LYS 122 3HZ LYS 122 -6.209 -1.069 14.352 950 H ILE 123 H ILE 123 -2.770 -6.384 9.470 951 HA ILE 123 HA ILE 123 -4.381 -8.388 8.052 952 HB ILE 123 HB ILE 123 -2.811 -7.990 6.161 953 1HG1 ILE 123 1HG1 ILE 123 -1.453 -6.201 8.150 954 2HG1 ILE 123 2HG1 ILE 123 -0.750 -7.367 7.055 955 1HG2 ILE 123 1HG2 ILE 123 -3.766 -5.784 5.679 956 2HG2 ILE 123 2HG2 ILE 123 -4.960 -6.829 6.440 957 3HG2 ILE 123 3HG2 ILE 123 -4.158 -5.565 7.391 958 1HD1 ILE 123 1HD1 ILE 123 -1.924 -4.630 6.350 959 2HD1 ILE 123 2HD1 ILE 123 -0.236 -5.061 6.485 960 3HD1 ILE 123 3HD1 ILE 123 -1.214 -5.782 5.185 961 H PHE 124 H PHE 124 -1.349 -8.512 9.872 962 HA PHE 124 HA PHE 124 -0.445 -11.064 8.987 963 1HB PHE 124 1HB PHE 124 -0.510 -9.844 11.761 964 2HB PHE 124 2HB PHE 124 0.295 -11.326 11.367 965 HD1 PHE 124 1HD PHE 124 1.690 -9.277 12.816 966 HD2 PHE 124 2HD PHE 124 1.339 -9.788 8.550 967 HE1 PHE 124 1HE PHE 124 3.730 -7.922 12.484 968 HE2 PHE 124 2HE PHE 124 3.389 -8.466 8.222 969 HZ PHE 124 HZ PHE 124 4.587 -7.496 10.209 970 H GLU 125 H GLU 125 -2.694 -10.202 11.664 971 HA GLU 125 HA GLU 125 -3.337 -12.962 12.088 972 1HB GLU 125 1HB GLU 125 -4.706 -10.388 13.023 973 2HB GLU 125 2HB GLU 125 -5.080 -12.020 13.611 974 1HG GLU 125 1HG GLU 125 -2.701 -12.285 14.307 975 2HG GLU 125 2HG GLU 125 -2.395 -10.602 13.885 976 H LYS 126 H LYS 126 -5.061 -10.282 10.478 977 HA LYS 126 HA LYS 126 -7.462 -11.853 10.108 978 1HB LYS 126 1HB LYS 126 -7.579 -9.435 10.116 979 2HB LYS 126 2HB LYS 126 -6.604 -9.336 8.634 980 1HG LYS 126 1HG LYS 126 -8.400 -10.636 7.441 981 2HG LYS 126 2HG LYS 126 -9.377 -10.580 8.912 982 1HD LYS 126 1HD LYS 126 -9.763 -8.267 8.712 983 2HD LYS 126 2HD LYS 126 -8.320 -8.004 7.730 984 1HE LYS 126 1HE LYS 126 -10.342 -7.757 6.379 985 2HE LYS 126 2HE LYS 126 -9.309 -9.057 5.789 986 1HZ LYS 126 1HZ LYS 126 -11.651 -9.655 5.810 987 2HZ LYS 126 2HZ LYS 126 -10.815 -10.655 6.805 988 3HZ LYS 126 3HZ LYS 126 -11.752 -9.451 7.416 989 H LEU 127 H LEU 127 -5.266 -10.629 7.494 990 HA LEU 127 HA LEU 127 -6.355 -12.447 5.606 991 1HB LEU 127 1HB LEU 127 -3.600 -11.236 5.387 992 2HB LEU 127 2HB LEU 127 -4.716 -11.647 4.096 993 HG LEU 127 HG LEU 127 -4.891 -9.303 6.023 994 1HD1 LEU 127 1HD1 LEU 127 -4.624 -7.932 3.992 995 2HD1 LEU 127 2HD1 LEU 127 -3.263 -9.040 4.169 996 3HD1 LEU 127 3HD1 LEU 127 -4.528 -9.394 3.003 997 1HD2 LEU 127 1HD2 LEU 127 -7.163 -10.114 5.618 998 2HD2 LEU 127 2HD2 LEU 127 -6.889 -8.566 4.817 999 3HD2 LEU 127 3HD2 LEU 127 -6.882 -10.081 3.872 1000 H GLY 128 H GLY 128 -3.708 -12.731 7.948 1001 1HA GLY 128 1HA GLY 128 -2.475 -14.680 8.479 1002 2HA GLY 128 2HA GLY 128 -3.023 -15.446 6.988 1003 H MET 129 H MET 129 -1.707 -12.057 7.376 1004 HA MET 129 HA MET 129 0.113 -12.585 5.143 1005 1HB MET 129 2HB MET 129 -0.226 -10.214 7.016 1006 2HB MET 129 3HB MET 129 1.137 -10.337 5.908 1007 1HG MET 129 2HG MET 129 -1.789 -10.243 5.188 1008 2HG MET 129 3HG MET 129 -0.586 -8.989 4.929 1009 1HE MET 129 1HE MET 129 -1.688 -12.325 2.083 1010 2HE MET 129 2HE MET 129 -1.888 -12.532 3.838 1011 3HE MET 129 3HE MET 129 -2.713 -11.201 2.980 Start of MODEL 3 1 1H MET 1 H MET 1 20.052 -18.452 -2.517 2 2H MET 1 2HN MET 1 21.549 -17.816 -2.431 3 3H MET 1 3HN MET 1 21.349 -19.458 -2.308 4 HA MET 1 HA MET 1 19.898 -18.931 -0.337 5 1HB MET 1 2HB MET 1 22.067 -20.070 -0.193 6 2HB MET 1 3HB MET 1 22.889 -18.513 -0.044 7 1HG MET 1 2HG MET 1 20.655 -19.350 1.846 8 2HG MET 1 3HG MET 1 22.318 -19.863 2.082 9 1HE MET 1 1HE MET 1 22.469 -17.291 4.870 10 2HE MET 1 2HE MET 1 21.272 -18.572 4.554 11 3HE MET 1 3HE MET 1 23.009 -18.873 4.302 12 H ALA 2 H ALA 2 18.570 -17.163 -0.264 13 HA ALA 2 HA ALA 2 19.705 -14.750 0.890 14 1HB ALA 2 1HB ALA 2 18.364 -13.294 -0.586 15 2HB ALA 2 2HB ALA 2 19.479 -14.239 -1.583 16 3HB ALA 2 3HB ALA 2 17.770 -14.697 -1.481 17 H ASP 3 H ASP 3 17.604 -13.436 1.480 18 HA ASP 3 HA ASP 3 15.562 -15.037 2.841 19 1HB ASP 3 1HB ASP 3 16.035 -12.088 2.280 20 2HB ASP 3 2HB ASP 3 14.457 -12.644 2.811 21 H LYS 4 H LYS 4 13.175 -14.629 2.075 22 HA LYS 4 HA LYS 4 12.788 -14.764 -0.816 23 1HB LYS 4 1HB LYS 4 10.942 -14.113 1.525 24 2HB LYS 4 2HB LYS 4 10.449 -13.851 -0.127 25 1HG LYS 4 1HG LYS 4 9.598 -15.901 0.145 26 2HG LYS 4 2HG LYS 4 11.139 -16.335 -0.563 27 1HD LYS 4 1HD LYS 4 12.041 -16.968 1.592 28 2HD LYS 4 2HD LYS 4 10.675 -16.239 2.456 29 1HE LYS 4 1HE LYS 4 10.369 -18.529 0.475 30 2HE LYS 4 2HE LYS 4 10.604 -18.774 2.213 31 1HZ LYS 4 1HZ LYS 4 8.267 -18.781 1.512 32 2HZ LYS 4 2HZ LYS 4 8.588 -17.679 2.671 33 3HZ LYS 4 3HZ LYS 4 8.353 -17.185 1.114 34 H GLU 5 H GLU 5 13.760 -12.258 1.244 35 HA GLU 5 HA GLU 5 13.875 -10.011 1.171 36 1HB GLU 5 1HB GLU 5 14.255 -10.496 -1.809 37 2HB GLU 5 2HB GLU 5 14.683 -9.033 -0.912 38 1HG GLU 5 1HG GLU 5 16.093 -10.585 0.595 39 2HG GLU 5 2HG GLU 5 15.907 -11.806 -0.666 40 H LEU 6 H LEU 6 11.403 -10.723 1.608 41 HA LEU 6 HA LEU 6 9.454 -10.375 -0.322 42 1HB LEU 6 1HB LEU 6 9.009 -11.451 1.797 43 2HB LEU 6 2HB LEU 6 9.224 -9.929 2.670 44 HG LEU 6 HG LEU 6 7.302 -9.509 0.504 45 1HD1 LEU 6 1HD1 LEU 6 6.896 -11.870 0.552 46 2HD1 LEU 6 2HD1 LEU 6 6.567 -11.832 2.292 47 3HD1 LEU 6 3HD1 LEU 6 5.499 -10.980 1.152 48 1HD2 LEU 6 1HD2 LEU 6 7.372 -8.120 2.484 49 2HD2 LEU 6 2HD2 LEU 6 5.796 -8.924 2.371 50 3HD2 LEU 6 3HD2 LEU 6 7.010 -9.513 3.528 51 H LYS 7 H LYS 7 9.266 -8.733 -1.573 52 HA LYS 7 HA LYS 7 10.294 -6.180 -0.765 53 1HB LYS 7 1HB LYS 7 10.851 -7.365 -2.841 54 2HB LYS 7 2HB LYS 7 9.212 -7.103 -3.466 55 1HG LYS 7 1HG LYS 7 9.568 -4.826 -3.743 56 2HG LYS 7 2HG LYS 7 10.734 -4.711 -2.443 57 1HD LYS 7 1HD LYS 7 11.834 -4.355 -4.558 58 2HD LYS 7 2HD LYS 7 12.458 -5.780 -3.752 59 1HE LYS 7 1HE LYS 7 10.271 -6.377 -5.669 60 2HE LYS 7 2HE LYS 7 11.702 -5.636 -6.406 61 1HZ LYS 7 1HZ LYS 7 11.869 -8.036 -6.356 62 2HZ LYS 7 2HZ LYS 7 13.055 -7.365 -5.414 63 3HZ LYS 7 3HZ LYS 7 11.736 -8.091 -4.746 64 H PHE 8 H PHE 8 9.195 -4.555 -0.057 65 HA PHE 8 HA PHE 8 6.224 -4.457 -0.129 66 1HB PHE 8 1HB PHE 8 8.419 -2.722 1.082 67 2HB PHE 8 2HB PHE 8 6.766 -2.152 0.934 68 HD1 PHE 8 1HD PHE 8 5.463 -2.339 2.833 69 HD2 PHE 8 2HD PHE 8 8.555 -5.279 2.196 70 HE1 PHE 8 1HE PHE 8 4.844 -3.458 4.946 71 HE2 PHE 8 2HE PHE 8 7.923 -6.390 4.293 72 HZ PHE 8 HZ PHE 8 6.088 -5.454 5.711 73 H LEU 9 H LEU 9 5.135 -2.784 -1.391 74 HA LEU 9 HA LEU 9 6.863 -1.283 -3.261 75 1HB LEU 9 1HB LEU 9 5.511 -3.079 -4.435 76 2HB LEU 9 2HB LEU 9 4.054 -2.334 -3.780 77 HG LEU 9 HG LEU 9 4.724 -0.172 -4.960 78 1HD1 LEU 9 1HD1 LEU 9 7.088 -0.474 -5.310 79 2HD1 LEU 9 2HD1 LEU 9 6.833 -2.005 -6.180 80 3HD1 LEU 9 3HD1 LEU 9 6.336 -0.462 -6.891 81 1HD2 LEU 9 1HD2 LEU 9 4.291 -2.636 -6.656 82 2HD2 LEU 9 2HD2 LEU 9 3.037 -1.660 -5.847 83 3HD2 LEU 9 3HD2 LEU 9 4.003 -0.946 -7.147 84 H VAL 10 H VAL 10 6.576 0.792 -3.155 85 HA VAL 10 HA VAL 10 4.289 1.935 -1.580 86 HB VAL 10 HB VAL 10 7.185 2.878 -1.818 87 1HG1 VAL 10 1HG1 VAL 10 6.557 4.554 -0.097 88 2HG1 VAL 10 2HG1 VAL 10 5.699 4.818 -1.621 89 3HG1 VAL 10 3HG1 VAL 10 4.851 4.090 -0.251 90 1HG2 VAL 10 1HG2 VAL 10 5.546 1.713 0.515 91 2HG2 VAL 10 2HG2 VAL 10 6.892 0.906 -0.308 92 3HG2 VAL 10 3HG2 VAL 10 7.195 2.358 0.654 93 H VAL 11 H VAL 11 2.858 3.007 -2.865 94 HA VAL 11 HA VAL 11 3.954 4.622 -5.114 95 HB VAL 11 HB VAL 11 1.321 3.174 -5.456 96 1HG1 VAL 11 1HG1 VAL 11 1.934 3.459 -7.818 97 2HG1 VAL 11 2HG1 VAL 11 1.797 5.000 -6.965 98 3HG1 VAL 11 3HG1 VAL 11 3.396 4.349 -7.338 99 1HG2 VAL 11 1HG2 VAL 11 4.078 2.012 -5.977 100 2HG2 VAL 11 2HG2 VAL 11 2.769 1.319 -4.993 101 3HG2 VAL 11 3HG2 VAL 11 2.599 1.419 -6.735 102 H ASP 12 H ASP 12 3.878 5.961 -3.026 103 HA ASP 12 HA ASP 12 1.325 7.270 -2.512 104 1HB ASP 12 1HB ASP 12 4.219 8.083 -2.065 105 2HB ASP 12 2HB ASP 12 2.857 9.137 -1.775 106 H ASP 13 H ASP 13 0.788 9.314 -3.368 107 HA ASP 13 HA ASP 13 1.305 9.964 -6.086 108 1HB ASP 13 1HB ASP 13 -0.638 10.648 -4.613 109 2HB ASP 13 2HB ASP 13 0.411 11.757 -3.775 110 H PHE 14 H PHE 14 2.752 11.043 -3.039 111 HA PHE 14 HA PHE 14 4.322 13.145 -4.434 112 1HB PHE 14 1HB PHE 14 2.604 14.057 -3.127 113 2HB PHE 14 2HB PHE 14 2.833 12.928 -1.828 114 HD1 PHE 14 1HD PHE 14 3.344 14.065 0.133 115 HD2 PHE 14 2HD PHE 14 5.140 15.376 -3.575 116 HE1 PHE 14 1HE PHE 14 4.481 15.885 1.331 117 HE2 PHE 14 2HE PHE 14 6.274 17.201 -2.341 118 HZ PHE 14 HZ PHE 14 5.914 17.485 0.093 119 H SER 15 H SER 15 6.509 13.032 -4.310 120 HA SER 15 HA SER 15 7.919 10.907 -3.486 121 1HB SER 15 1HB SER 15 9.017 13.741 -3.413 122 2HB SER 15 2HB SER 15 9.916 12.237 -3.723 123 HG SER 15 HG SER 15 8.429 11.928 -5.523 124 H THR 16 H THR 16 7.834 13.914 -1.426 125 HA THR 16 HA THR 16 9.181 12.856 0.771 126 HB THR 16 HB THR 16 6.982 14.912 0.550 127 HG1 THR 16 1HG THR 16 9.206 16.066 1.064 128 1HG2 THR 16 1HG2 THR 16 7.795 15.874 2.668 129 2HG2 THR 16 2HG2 THR 16 7.054 14.299 2.883 130 3HG2 THR 16 3HG2 THR 16 8.831 14.440 2.912 131 H MET 17 H MET 17 5.745 12.384 -0.150 132 HA MET 17 HA MET 17 4.888 11.197 2.289 133 1HB MET 17 1HB MET 17 3.818 11.889 -0.206 134 2HB MET 17 2HB MET 17 3.659 10.158 -0.146 135 1HG MET 17 1HG MET 17 2.167 10.244 1.644 136 2HG MET 17 2HG MET 17 2.755 11.810 2.185 137 1HE MET 17 1HE MET 17 0.598 9.981 -0.602 138 2HE MET 17 2HE MET 17 -0.113 11.353 -1.466 139 3HE MET 17 3HE MET 17 1.615 10.982 -1.645 140 H ARG 18 H ARG 18 6.536 9.635 -0.720 141 HA ARG 18 HA ARG 18 6.231 7.086 0.589 142 1HB ARG 18 1HB ARG 18 7.540 6.266 -1.229 143 2HB ARG 18 2HB ARG 18 6.168 7.253 -1.788 144 1HG ARG 18 1HG ARG 18 7.563 8.951 -2.526 145 2HG ARG 18 2HG ARG 18 9.003 8.272 -1.698 146 1HD ARG 18 1HD ARG 18 8.966 6.351 -3.232 147 2HD ARG 18 2HD ARG 18 7.497 6.965 -3.999 148 HE ARG 18 HE ARG 18 8.656 8.742 -4.982 149 1HH1 ARG 18 2HH2 ARG 18 10.954 6.460 -3.449 150 2HH1 ARG 18 1HH2 ARG 18 12.349 7.211 -4.134 151 1HH2 ARG 18 2HH1 ARG 18 10.471 9.630 -5.985 152 2HH2 ARG 18 1HH1 ARG 18 12.050 8.995 -5.700 153 H ARG 19 H ARG 19 8.567 9.695 0.595 154 HA ARG 19 HA ARG 19 10.755 8.194 1.773 155 1HB ARG 19 1HB ARG 19 10.053 11.144 2.118 156 2HB ARG 19 2HB ARG 19 11.554 10.397 2.585 157 1HG ARG 19 1HG ARG 19 10.720 10.252 -0.324 158 2HG ARG 19 2HG ARG 19 11.355 11.748 0.351 159 1HD ARG 19 1HD ARG 19 13.352 10.399 1.216 160 2HD ARG 19 2HD ARG 19 12.747 9.054 0.244 161 HE ARG 19 HE ARG 19 13.375 10.126 -1.705 162 1HH1 ARG 19 2HH2 ARG 19 13.907 12.408 1.007 163 2HH1 ARG 19 1HH2 ARG 19 15.042 13.363 0.097 164 1HH2 ARG 19 2HH1 ARG 19 14.596 11.516 -2.882 165 2HH2 ARG 19 1HH1 ARG 19 15.502 12.823 -2.173 166 H ILE 20 H ILE 20 7.897 9.912 3.134 167 HA ILE 20 HA ILE 20 8.442 9.307 5.863 168 HB ILE 20 HB ILE 20 6.008 10.179 4.328 169 1HG1 ILE 20 1HG1 ILE 20 5.861 11.830 6.165 170 2HG1 ILE 20 2HG1 ILE 20 7.249 11.104 6.950 171 1HG2 ILE 20 1HG2 ILE 20 5.842 8.982 7.129 172 2HG2 ILE 20 2HG2 ILE 20 4.581 9.958 6.358 173 3HG2 ILE 20 3HG2 ILE 20 4.998 8.404 5.674 174 1HD1 ILE 20 1HD1 ILE 20 8.640 11.795 4.953 175 2HD1 ILE 20 2HD1 ILE 20 7.162 12.588 4.323 176 3HD1 ILE 20 3HD1 ILE 20 7.878 13.130 5.834 177 H VAL 21 H VAL 21 6.187 7.602 3.562 178 HA VAL 21 HA VAL 21 5.634 5.516 5.279 179 HB VAL 21 HB VAL 21 5.723 5.531 2.233 180 1HG1 VAL 21 1HG1 VAL 21 5.735 3.176 2.944 181 2HG1 VAL 21 2HG1 VAL 21 4.386 3.479 4.062 182 3HG1 VAL 21 3HG1 VAL 21 4.162 3.623 2.303 183 1HG2 VAL 21 1HG2 VAL 21 3.438 5.885 4.253 184 2HG2 VAL 21 2HG2 VAL 21 4.130 7.162 3.235 185 3HG2 VAL 21 3HG2 VAL 21 3.256 5.847 2.485 186 H ARG 22 H ARG 22 8.420 5.607 2.959 187 HA ARG 22 HA ARG 22 9.399 3.032 3.645 188 1HB ARG 22 1HB ARG 22 10.200 4.484 1.718 189 2HB ARG 22 2HB ARG 22 11.131 5.424 2.900 190 1HG ARG 22 1HG ARG 22 12.145 3.110 3.626 191 2HG ARG 22 2HG ARG 22 11.410 2.486 2.160 192 1HD ARG 22 1HD ARG 22 13.537 4.610 2.427 193 2HD ARG 22 2HD ARG 22 13.730 2.982 1.765 194 HE ARG 22 HE ARG 22 12.014 3.736 0.009 195 1HH1 ARG 22 2HH2 ARG 22 14.287 6.120 1.475 196 2HH1 ARG 22 1HH2 ARG 22 14.414 6.984 -0.045 197 1HH2 ARG 22 2HH1 ARG 22 12.248 5.016 -1.916 198 2HH2 ARG 22 1HH1 ARG 22 13.349 6.368 -1.888 199 H ASN 23 H ASN 23 10.177 6.261 5.145 200 HA ASN 23 HA ASN 23 11.969 5.256 7.116 201 1HB ASN 23 1HB ASN 23 11.849 7.594 7.001 202 2HB ASN 23 2HB ASN 23 10.105 7.636 7.057 203 1HD2 ASN 23 1HD2 ASN 23 12.804 6.439 9.196 204 2HD2 ASN 23 2HD2 ASN 23 12.043 6.986 10.660 205 H LEU 24 H LEU 24 8.411 5.619 7.281 206 HA LEU 24 HA LEU 24 8.075 4.635 9.903 207 1HB LEU 24 1HB LEU 24 6.146 4.323 7.567 208 2HB LEU 24 2HB LEU 24 5.744 4.166 9.269 209 HG LEU 24 HG LEU 24 6.602 6.708 7.847 210 1HD1 LEU 24 1HD1 LEU 24 3.953 5.813 8.962 211 2HD1 LEU 24 2HD1 LEU 24 4.327 7.454 8.365 212 3HD1 LEU 24 3HD1 LEU 24 4.394 6.070 7.268 213 1HD2 LEU 24 1HD2 LEU 24 6.168 6.293 10.786 214 2HD2 LEU 24 2HD2 LEU 24 7.567 6.943 9.971 215 3HD2 LEU 24 3HD2 LEU 24 6.068 7.879 9.992 216 H LEU 25 H LEU 25 8.124 2.825 6.823 217 HA LEU 25 HA LEU 25 7.623 0.235 7.957 218 1HB LEU 25 1HB LEU 25 8.890 1.275 5.396 219 2HB LEU 25 2HB LEU 25 8.915 -0.442 5.746 220 HG LEU 25 HG LEU 25 6.309 1.132 5.830 221 1HD1 LEU 25 1HD1 LEU 25 7.456 -0.323 3.419 222 2HD1 LEU 25 2HD1 LEU 25 5.855 0.451 3.543 223 3HD1 LEU 25 3HD1 LEU 25 7.316 1.444 3.592 224 1HD2 LEU 25 1HD2 LEU 25 6.229 -1.082 6.877 225 2HD2 LEU 25 2HD2 LEU 25 5.404 -1.161 5.308 226 3HD2 LEU 25 3HD2 LEU 25 7.045 -1.810 5.483 227 H LYS 26 H LYS 26 10.647 1.996 7.203 228 HA LYS 26 HA LYS 26 12.327 -0.201 7.955 229 1HB LYS 26 1HB LYS 26 12.828 2.748 7.451 230 2HB LYS 26 2HB LYS 26 14.128 1.630 7.870 231 1HG LYS 26 1HG LYS 26 12.239 1.078 5.539 232 2HG LYS 26 2HG LYS 26 13.660 2.084 5.339 233 1HD LYS 26 1HD LYS 26 14.143 -0.580 6.646 234 2HD LYS 26 2HD LYS 26 13.600 -0.624 4.974 235 1HE LYS 26 1HE LYS 26 16.051 -0.647 5.129 236 2HE LYS 26 2HE LYS 26 15.445 0.748 4.238 237 1HZ LYS 26 1HZ LYS 26 17.169 1.400 5.716 238 2HZ LYS 26 2HZ LYS 26 15.788 2.075 6.280 239 3HZ LYS 26 3HZ LYS 26 16.446 0.756 7.031 240 H GLU 27 H GLU 27 10.822 2.324 9.927 241 HA GLU 27 HA GLU 27 12.502 1.994 12.203 242 1HB GLU 27 1HB GLU 27 9.469 2.267 12.328 243 2HB GLU 27 2HB GLU 27 10.635 2.709 13.562 244 1HG GLU 27 1HG GLU 27 10.031 4.139 10.981 245 2HG GLU 27 2HG GLU 27 9.792 4.689 12.605 246 H LEU 28 H LEU 28 10.027 -0.042 10.820 247 HA LEU 28 HA LEU 28 9.817 -1.844 13.139 248 1HB LEU 28 1HB LEU 28 8.559 -2.056 10.389 249 2HB LEU 28 2HB LEU 28 8.081 -2.932 11.837 250 HG LEU 28 HG LEU 28 7.873 0.102 11.494 251 1HD1 LEU 28 1HD1 LEU 28 6.419 -1.067 9.908 252 2HD1 LEU 28 2HD1 LEU 28 5.688 -1.984 11.253 253 3HD1 LEU 28 3HD1 LEU 28 5.502 -0.212 11.149 254 1HD2 LEU 28 1HD2 LEU 28 6.408 0.005 13.473 255 2HD2 LEU 28 2HD2 LEU 28 6.727 -1.741 13.631 256 3HD2 LEU 28 3HD2 LEU 28 8.030 -0.554 13.850 257 H GLY 29 H GLY 29 10.843 -2.004 9.678 258 1HA GLY 29 1HA GLY 29 13.225 -3.343 10.030 259 2HA GLY 29 2HA GLY 29 12.011 -4.636 9.913 260 H PHE 30 H PHE 30 11.093 -5.096 8.055 261 HA PHE 30 HA PHE 30 11.001 -5.401 5.799 262 1HB PHE 30 1HB PHE 30 9.803 -2.655 6.171 263 2HB PHE 30 2HB PHE 30 9.340 -3.865 4.975 264 HD1 PHE 30 1HD PHE 30 8.226 -2.443 7.906 265 HD2 PHE 30 2HD PHE 30 9.052 -6.384 6.351 266 HE1 PHE 30 1HE PHE 30 6.792 -3.471 9.659 267 HE2 PHE 30 2HE PHE 30 7.623 -7.373 8.087 268 HZ PHE 30 HZ PHE 30 6.494 -5.914 9.760 269 H ASN 31 H ASN 31 13.344 -5.315 5.691 270 HA ASN 31 HA ASN 31 14.750 -3.003 4.904 271 1HB ASN 31 1HB ASN 31 16.660 -4.519 4.544 272 2HB ASN 31 2HB ASN 31 15.834 -4.838 6.056 273 1HD2 ASN 31 1HD2 ASN 31 15.324 -6.975 6.456 274 2HD2 ASN 31 2HD2 ASN 31 15.189 -8.231 5.246 275 H ASN 32 H ASN 32 12.561 -4.440 2.813 276 HA ASN 32 HA ASN 32 14.106 -3.381 0.516 277 1HB ASN 32 1HB ASN 32 14.263 -5.926 0.625 278 2HB ASN 32 2HB ASN 32 12.542 -5.948 0.203 279 1HD2 ASN 32 1HD2 ASN 32 15.343 -6.482 -1.240 280 2HD2 ASN 32 2HD2 ASN 32 15.157 -5.586 -2.740 281 H VAL 33 H VAL 33 12.947 -1.551 0.263 282 HA VAL 33 HA VAL 33 10.017 -1.730 0.006 283 HB VAL 33 HB VAL 33 11.614 0.693 0.888 284 1HG1 VAL 33 1HG1 VAL 33 9.260 0.977 0.140 285 2HG1 VAL 33 2HG1 VAL 33 8.735 -0.207 1.349 286 3HG1 VAL 33 3HG1 VAL 33 9.432 1.338 1.864 287 1HG2 VAL 33 1HG2 VAL 33 10.563 -1.485 2.716 288 2HG2 VAL 33 2HG2 VAL 33 12.244 -0.927 2.561 289 3HG2 VAL 33 3HG2 VAL 33 11.023 0.142 3.252 290 H GLU 34 H GLU 34 9.936 -2.004 -2.202 291 HA GLU 34 HA GLU 34 11.365 -0.364 -4.123 292 1HB GLU 34 1HB GLU 34 10.072 -2.709 -4.286 293 2HB GLU 34 2HB GLU 34 8.681 -1.715 -4.531 294 1HG GLU 34 1HG GLU 34 9.312 -2.112 -6.710 295 2HG GLU 34 2HG GLU 34 10.153 -0.593 -6.448 296 H GLU 35 H GLU 35 10.108 1.156 -5.552 297 HA GLU 35 HA GLU 35 7.477 1.840 -4.596 298 1HB GLU 35 1HB GLU 35 7.801 4.281 -5.045 299 2HB GLU 35 2HB GLU 35 8.571 3.701 -3.577 300 1HG GLU 35 1HG GLU 35 10.182 3.776 -6.118 301 2HG GLU 35 2HG GLU 35 9.743 5.305 -5.351 302 H ALA 36 H ALA 36 6.329 3.105 -6.345 303 HA ALA 36 HA ALA 36 7.220 2.207 -9.049 304 1HB ALA 36 1HB ALA 36 5.152 0.995 -8.114 305 2HB ALA 36 2HB ALA 36 4.326 2.561 -8.232 306 3HB ALA 36 3HB ALA 36 4.956 1.788 -9.672 307 H GLU 37 H GLU 37 5.998 3.654 -10.708 308 HA GLU 37 HA GLU 37 6.512 6.472 -10.043 309 1HB GLU 37 1HB GLU 37 5.148 5.419 -12.554 310 2HB GLU 37 2HB GLU 37 5.954 6.972 -12.296 311 1HG GLU 37 1HG GLU 37 8.072 5.445 -11.777 312 2HG GLU 37 2HG GLU 37 7.152 4.233 -12.675 313 H ASP 38 H ASP 38 3.646 4.347 -10.494 314 HA ASP 38 HA ASP 38 1.682 6.260 -9.539 315 1HB ASP 38 1HB ASP 38 2.153 7.174 -11.795 316 2HB ASP 38 2HB ASP 38 1.999 5.552 -12.508 317 H GLY 39 H GLY 39 -0.512 5.124 -9.763 318 1HA GLY 39 1HA GLY 39 -0.692 2.432 -9.080 319 2HA GLY 39 2HA GLY 39 -1.957 3.353 -9.895 320 H VAL 40 H VAL 40 -0.625 3.828 -12.427 321 HA VAL 40 HA VAL 40 -1.212 1.393 -13.745 322 HB VAL 40 HB VAL 40 0.390 3.799 -14.685 323 1HG1 VAL 40 1HG1 VAL 40 -0.749 1.477 -16.319 324 2HG1 VAL 40 2HG1 VAL 40 -0.042 2.966 -16.978 325 3HG1 VAL 40 3HG1 VAL 40 0.978 1.841 -16.087 326 1HG2 VAL 40 1HG2 VAL 40 -1.727 4.312 -15.889 327 2HG2 VAL 40 2HG2 VAL 40 -2.502 2.909 -15.123 328 3HG2 VAL 40 3HG2 VAL 40 -1.965 4.283 -14.138 329 H ASP 41 H ASP 41 1.905 2.851 -12.772 330 HA ASP 41 HA ASP 41 3.522 0.620 -13.676 331 1HB ASP 41 1HB ASP 41 4.436 2.917 -13.430 332 2HB ASP 41 2HB ASP 41 4.178 2.824 -11.694 333 H ALA 42 H ALA 42 1.666 1.359 -10.723 334 HA ALA 42 HA ALA 42 3.002 -0.412 -8.992 335 1HB ALA 42 1HB ALA 42 0.008 0.100 -8.932 336 2HB ALA 42 2HB ALA 42 1.073 -0.311 -7.589 337 3HB ALA 42 3HB ALA 42 1.187 1.288 -8.372 338 H LEU 43 H LEU 43 0.091 -0.961 -11.061 339 HA LEU 43 HA LEU 43 -0.079 -3.752 -10.501 340 1HB LEU 43 1HB LEU 43 -1.731 -2.187 -11.839 341 2HB LEU 43 2HB LEU 43 -0.739 -2.669 -13.220 342 HG LEU 43 HG LEU 43 -1.173 -5.127 -12.379 343 1HD1 LEU 43 1HD1 LEU 43 -3.595 -3.720 -11.168 344 2HD1 LEU 43 2HD1 LEU 43 -3.251 -5.464 -11.196 345 3HD1 LEU 43 3HD1 LEU 43 -2.255 -4.391 -10.217 346 1HD2 LEU 43 1HD2 LEU 43 -3.391 -3.470 -13.646 347 2HD2 LEU 43 2HD2 LEU 43 -2.029 -4.211 -14.500 348 3HD2 LEU 43 3HD2 LEU 43 -3.232 -5.246 -13.716 349 H ASN 44 H ASN 44 1.794 -2.016 -12.943 350 HA ASN 44 HA ASN 44 2.866 -4.188 -14.427 351 1HB ASN 44 1HB ASN 44 2.993 -1.771 -15.063 352 2HB ASN 44 2HB ASN 44 4.166 -1.515 -13.779 353 1HD2 ASN 44 1HD2 ASN 44 3.902 -2.242 -17.074 354 2HD2 ASN 44 2HD2 ASN 44 5.605 -2.735 -17.250 355 H LYS 45 H LYS 45 4.109 -2.540 -11.483 356 HA LYS 45 HA LYS 45 6.433 -4.119 -11.103 357 1HB LYS 45 1HB LYS 45 4.678 -2.699 -9.057 358 2HB LYS 45 2HB LYS 45 6.255 -3.367 -8.703 359 1HG LYS 45 1HG LYS 45 6.094 -1.475 -11.030 360 2HG LYS 45 2HG LYS 45 5.844 -0.778 -9.427 361 1HD LYS 45 1HD LYS 45 7.988 -1.466 -8.684 362 2HD LYS 45 2HD LYS 45 8.211 -2.549 -10.062 363 1HE LYS 45 1HE LYS 45 8.029 0.496 -10.200 364 2HE LYS 45 2HE LYS 45 9.519 -0.453 -10.260 365 1HZ LYS 45 1HZ LYS 45 7.458 -0.185 -12.315 366 2HZ LYS 45 2HZ LYS 45 9.092 -0.032 -12.411 367 3HZ LYS 45 3HZ LYS 45 8.431 -1.535 -12.294 368 H LEU 46 H LEU 46 3.090 -4.588 -9.768 369 HA LEU 46 HA LEU 46 3.762 -6.890 -8.253 370 1HB LEU 46 1HB LEU 46 1.099 -6.932 -9.631 371 2HB LEU 46 2HB LEU 46 1.517 -7.392 -7.985 372 HG LEU 46 HG LEU 46 1.313 -4.628 -9.120 373 1HD1 LEU 46 1HD1 LEU 46 -0.657 -4.263 -8.004 374 2HD1 LEU 46 2HD1 LEU 46 -0.829 -5.771 -8.906 375 3HD1 LEU 46 3HD1 LEU 46 -0.574 -5.823 -7.146 376 1HD2 LEU 46 1HD2 LEU 46 1.544 -3.678 -6.927 377 2HD2 LEU 46 2HD2 LEU 46 1.615 -5.284 -6.164 378 3HD2 LEU 46 3HD2 LEU 46 2.948 -4.704 -7.181 379 H GLN 47 H GLN 47 2.828 -6.575 -11.673 380 HA GLN 47 HA GLN 47 3.040 -9.414 -12.220 381 1HB GLN 47 1HB GLN 47 2.721 -6.970 -13.990 382 2HB GLN 47 2HB GLN 47 2.762 -8.634 -14.604 383 1HG GLN 47 1HG GLN 47 0.878 -9.265 -13.144 384 2HG GLN 47 2HG GLN 47 0.770 -7.614 -12.524 385 1HE2 GLN 47 1HE2 GLN 47 0.325 -5.874 -14.139 386 2HE2 GLN 47 2HE2 GLN 47 -0.682 -6.270 -15.529 387 H ALA 48 H ALA 48 5.568 -7.562 -11.327 388 HA ALA 48 HA ALA 48 7.563 -8.636 -13.176 389 1HB ALA 48 1HB ALA 48 8.010 -8.040 -10.239 390 2HB ALA 48 2HB ALA 48 9.177 -8.020 -11.561 391 3HB ALA 48 3HB ALA 48 7.971 -6.733 -11.445 392 H GLY 49 H GLY 49 5.796 -9.745 -10.258 393 1HA GLY 49 1HA GLY 49 5.360 -12.215 -10.923 394 2HA GLY 49 2HA GLY 49 7.050 -12.433 -10.482 395 H GLY 50 H GLY 50 6.568 -10.359 -8.105 396 1HA GLY 50 1HA GLY 50 4.679 -11.620 -6.338 397 2HA GLY 50 2HA GLY 50 6.265 -12.376 -6.190 398 H TYR 51 H TYR 51 4.449 -9.399 -5.728 399 HA TYR 51 HA TYR 51 6.619 -8.316 -3.975 400 1HB TYR 51 1HB TYR 51 4.180 -7.034 -5.233 401 2HB TYR 51 2HB TYR 51 4.969 -6.340 -3.823 402 HD1 TYR 51 1HD TYR 51 5.819 -7.592 -7.294 403 HD2 TYR 51 2HD TYR 51 6.842 -4.928 -4.057 404 HE1 TYR 51 1HE TYR 51 7.659 -6.637 -8.637 405 HE2 TYR 51 2HE TYR 51 8.566 -3.897 -5.468 406 HH TYR 51 HH TYR 51 9.887 -4.099 -7.524 407 H GLY 52 H GLY 52 5.903 -7.604 -1.804 408 1HA GLY 52 1HA GLY 52 4.139 -9.639 -0.578 409 2HA GLY 52 2HA GLY 52 5.260 -8.548 0.230 410 H PHE 53 H PHE 53 4.275 -6.040 -0.979 411 HA PHE 53 HA PHE 53 1.546 -5.835 0.131 412 1HB PHE 53 1HB PHE 53 3.924 -4.186 1.104 413 2HB PHE 53 2HB PHE 53 2.237 -3.870 1.487 414 HD1 PHE 53 1HD PHE 53 5.104 -6.102 2.103 415 HD2 PHE 53 2HD PHE 53 1.047 -5.146 3.168 416 HE1 PHE 53 1HE PHE 53 5.252 -7.618 4.057 417 HE2 PHE 53 2HE PHE 53 1.190 -6.771 5.069 418 HZ PHE 53 HZ PHE 53 3.266 -8.034 5.479 419 H VAL 54 H VAL 54 0.441 -4.036 -0.648 420 HA VAL 54 HA VAL 54 1.769 -2.519 -2.845 421 HB VAL 54 HB VAL 54 -1.113 -3.438 -2.817 422 1HG1 VAL 54 1HG1 VAL 54 -0.758 -3.451 -5.319 423 2HG1 VAL 54 2HG1 VAL 54 -0.575 -1.849 -4.596 424 3HG1 VAL 54 3HG1 VAL 54 0.859 -2.816 -5.044 425 1HG2 VAL 54 1HG2 VAL 54 1.190 -5.118 -3.796 426 2HG2 VAL 54 2HG2 VAL 54 -0.001 -5.506 -2.520 427 3HG2 VAL 54 3HG2 VAL 54 -0.540 -5.353 -4.183 428 H ILE 55 H ILE 55 2.218 -0.804 -1.327 429 HA ILE 55 HA ILE 55 -0.073 0.262 0.255 430 HB ILE 55 HB ILE 55 2.978 0.300 0.434 431 1HG1 ILE 55 1HG1 ILE 55 1.093 -0.259 2.739 432 2HG1 ILE 55 2HG1 ILE 55 1.172 -1.478 1.475 433 1HG2 ILE 55 1HG2 ILE 55 1.001 2.032 1.944 434 2HG2 ILE 55 2HG2 ILE 55 2.675 1.756 2.474 435 3HG2 ILE 55 3HG2 ILE 55 2.352 2.586 0.940 436 1HD1 ILE 55 1HD1 ILE 55 3.571 -0.491 3.064 437 2HD1 ILE 55 2HD1 ILE 55 2.733 -2.043 3.250 438 3HD1 ILE 55 3HD1 ILE 55 3.601 -1.690 1.748 439 H SER 56 H SER 56 -1.085 2.142 -0.642 440 HA SER 56 HA SER 56 0.505 3.800 -2.497 441 1HB SER 56 1HB SER 56 -1.982 2.280 -3.401 442 2HB SER 56 2HB SER 56 -1.006 3.391 -4.377 443 HG SER 56 HG SER 56 0.655 1.618 -3.382 444 H ASP 57 H ASP 57 -0.548 5.686 -3.250 445 HA ASP 57 HA ASP 57 -2.546 6.865 -1.434 446 1HB ASP 57 1HB ASP 57 -0.713 8.307 -2.170 447 2HB ASP 57 2HB ASP 57 -1.076 7.965 -3.865 448 H TRP 58 H TRP 58 -4.410 8.076 -2.600 449 HA TRP 58 HA TRP 58 -5.965 6.038 -4.010 450 1HB TRP 58 1HB TRP 58 -6.801 7.447 -2.078 451 2HB TRP 58 2HB TRP 58 -6.756 8.853 -3.127 452 HD1 TRP 58 HD TRP 58 -8.458 8.646 -5.388 453 HE1 TRP 58 1HE TRP 58 -10.652 7.352 -5.715 454 HE3 TRP 58 3HE TRP 58 -8.173 5.551 -1.330 455 HZ2 TRP 58 2HZ TRP 58 -12.149 5.344 -4.325 456 HZ3 TRP 58 3HZ TRP 58 -9.958 3.877 -0.937 457 HH2 TRP 58 HH TRP 58 -11.900 3.743 -2.399 458 H ASN 59 H ASN 59 -4.871 9.423 -4.651 459 HA ASN 59 HA ASN 59 -6.575 9.379 -7.068 460 1HB ASN 59 1HB ASN 59 -6.266 11.894 -6.981 461 2HB ASN 59 2HB ASN 59 -7.177 11.123 -5.697 462 1HD2 ASN 59 1HD2 ASN 59 -3.581 11.621 -6.125 463 2HD2 ASN 59 2HD2 ASN 59 -3.374 12.138 -4.503 464 H MET 60 H MET 60 -5.009 7.925 -7.988 465 HA MET 60 HA MET 60 -2.538 8.957 -9.106 466 1HB MET 60 1HB MET 60 -4.364 6.761 -10.117 467 2HB MET 60 2HB MET 60 -2.699 6.963 -10.560 468 1HG MET 60 1HG MET 60 -3.761 6.200 -7.806 469 2HG MET 60 2HG MET 60 -2.976 5.139 -8.956 470 1HE MET 60 1HE MET 60 -1.344 4.082 -7.373 471 2HE MET 60 2HE MET 60 -0.441 4.989 -6.149 472 3HE MET 60 3HE MET 60 -2.214 4.960 -6.103 473 HA PRO 61 HA PRO 61 -4.529 11.335 -12.399 474 1HB PRO 61 1HB PRO 61 -2.583 11.319 -14.360 475 2HB PRO 61 2HB PRO 61 -2.487 12.296 -12.868 476 1HG PRO 61 1HG PRO 61 -1.269 9.556 -13.349 477 2HG PRO 61 2HG PRO 61 -0.460 11.039 -12.737 478 1HD PRO 61 1HD PRO 61 -1.372 9.221 -10.989 479 2HD PRO 61 2HD PRO 61 -1.665 10.943 -10.682 480 H ASN 62 H ASN 62 -4.004 7.949 -12.624 481 HA ASN 62 HA ASN 62 -5.560 7.837 -15.142 482 1HB ASN 62 1HB ASN 62 -3.098 7.735 -15.636 483 2HB ASN 62 2HB ASN 62 -2.978 6.257 -14.741 484 1HD2 ASN 62 1HD2 ASN 62 -2.244 6.172 -17.377 485 2HD2 ASN 62 2HD2 ASN 62 -3.501 5.445 -18.380 486 H MET 63 H MET 63 -3.908 5.175 -13.580 487 HA MET 63 HA MET 63 -6.489 3.788 -13.047 488 1HB MET 63 1HB MET 63 -4.663 2.489 -14.037 489 2HB MET 63 2HB MET 63 -3.583 2.920 -12.705 490 1HG MET 63 1HG MET 63 -5.012 1.710 -11.118 491 2HG MET 63 2HG MET 63 -6.152 1.319 -12.409 492 1HE MET 63 1HE MET 63 -4.845 0.248 -14.824 493 2HE MET 63 2HE MET 63 -4.505 -1.452 -14.447 494 3HE MET 63 3HE MET 63 -6.030 -0.712 -13.911 495 H ASP 64 H ASP 64 -7.429 5.059 -11.345 496 HA ASP 64 HA ASP 64 -6.150 6.144 -9.118 497 1HB ASP 64 1HB ASP 64 -8.781 4.662 -8.922 498 2HB ASP 64 2HB ASP 64 -8.187 5.889 -7.839 499 H GLY 65 H GLY 65 -5.826 5.328 -6.925 500 1HA GLY 65 1HA GLY 65 -4.709 2.747 -6.645 501 2HA GLY 65 2HA GLY 65 -5.275 3.787 -5.333 502 H LEU 66 H LEU 66 -8.094 3.765 -6.590 503 HA LEU 66 HA LEU 66 -8.995 1.344 -5.282 504 1HB LEU 66 1HB LEU 66 -10.096 3.711 -5.349 505 2HB LEU 66 2HB LEU 66 -10.787 3.226 -6.880 506 HG LEU 66 HG LEU 66 -12.181 3.036 -4.774 507 1HD1 LEU 66 1HD1 LEU 66 -12.906 1.849 -6.787 508 2HD1 LEU 66 2HD1 LEU 66 -11.968 0.433 -6.256 509 3HD1 LEU 66 3HD1 LEU 66 -13.341 1.012 -5.291 510 1HD2 LEU 66 1HD2 LEU 66 -10.355 1.959 -3.367 511 2HD2 LEU 66 2HD2 LEU 66 -11.947 1.175 -3.307 512 3HD2 LEU 66 3HD2 LEU 66 -10.672 0.464 -4.289 513 H GLU 67 H GLU 67 -8.488 2.392 -8.632 514 HA GLU 67 HA GLU 67 -9.852 0.133 -9.871 515 1HB GLU 67 1HB GLU 67 -7.719 2.044 -10.925 516 2HB GLU 67 2HB GLU 67 -8.637 0.908 -11.906 517 1HG GLU 67 1HG GLU 67 -9.935 3.153 -10.307 518 2HG GLU 67 2HG GLU 67 -9.347 3.349 -11.951 519 H LEU 68 H LEU 68 -6.543 1.035 -8.934 520 HA LEU 68 HA LEU 68 -5.117 -1.244 -9.787 521 1HB LEU 68 1HB LEU 68 -4.045 0.800 -8.956 522 2HB LEU 68 2HB LEU 68 -4.769 0.566 -7.370 523 HG LEU 68 HG LEU 68 -3.443 -1.537 -7.075 524 1HD1 LEU 68 1HD1 LEU 68 -3.015 -2.147 -9.406 525 2HD1 LEU 68 2HD1 LEU 68 -2.141 -0.633 -9.683 526 3HD1 LEU 68 3HD1 LEU 68 -1.470 -1.867 -8.593 527 1HD2 LEU 68 1HD2 LEU 68 -1.870 1.008 -7.627 528 2HD2 LEU 68 2HD2 LEU 68 -2.697 0.580 -6.115 529 3HD2 LEU 68 3HD2 LEU 68 -1.314 -0.372 -6.649 530 H LEU 69 H LEU 69 -6.660 -0.600 -6.598 531 HA LEU 69 HA LEU 69 -6.339 -3.156 -5.447 532 1HB LEU 69 1HB LEU 69 -7.045 -1.512 -3.988 533 2HB LEU 69 2HB LEU 69 -8.256 -0.880 -5.092 534 HG LEU 69 HG LEU 69 -9.836 -2.484 -4.604 535 1HD1 LEU 69 1HD1 LEU 69 -9.800 -4.381 -3.293 536 2HD1 LEU 69 2HD1 LEU 69 -8.282 -4.587 -4.165 537 3HD1 LEU 69 3HD1 LEU 69 -8.289 -4.011 -2.502 538 1HD2 LEU 69 1HD2 LEU 69 -8.371 -1.681 -2.066 539 2HD2 LEU 69 2HD2 LEU 69 -9.499 -0.658 -2.930 540 3HD2 LEU 69 3HD2 LEU 69 -10.090 -2.123 -2.140 541 H LYS 70 H LYS 70 -9.214 -1.928 -7.302 542 HA LYS 70 HA LYS 70 -10.537 -4.443 -7.090 543 1HB LYS 70 1HB LYS 70 -10.862 -2.161 -9.063 544 2HB LYS 70 2HB LYS 70 -11.896 -3.605 -9.071 545 1HG LYS 70 1HG LYS 70 -12.587 -3.216 -6.773 546 2HG LYS 70 2HG LYS 70 -11.512 -1.828 -6.625 547 1HD LYS 70 1HD LYS 70 -12.792 -0.497 -8.125 548 2HD LYS 70 2HD LYS 70 -13.680 -1.868 -8.754 549 1HE LYS 70 1HE LYS 70 -13.909 -1.427 -5.824 550 2HE LYS 70 2HE LYS 70 -14.682 -0.208 -6.838 551 1HZ LYS 70 1HZ LYS 70 -15.188 -3.037 -7.404 552 2HZ LYS 70 2HZ LYS 70 -16.017 -2.320 -6.162 553 3HZ LYS 70 3HZ LYS 70 -16.142 -1.737 -7.675 554 H THR 71 H THR 71 -8.142 -3.365 -9.479 555 HA THR 71 HA THR 71 -8.429 -5.648 -11.204 556 HB THR 71 HB THR 71 -6.092 -3.746 -10.721 557 HG1 THR 71 1HG THR 71 -7.738 -2.594 -11.482 558 1HG2 THR 71 1HG2 THR 71 -6.676 -5.711 -12.963 559 2HG2 THR 71 2HG2 THR 71 -5.420 -4.445 -13.022 560 3HG2 THR 71 3HG2 THR 71 -5.312 -5.773 -11.853 561 H ILE 72 H ILE 72 -6.237 -4.992 -8.399 562 HA ILE 72 HA ILE 72 -4.882 -7.485 -8.483 563 HB ILE 72 HB ILE 72 -5.552 -5.415 -6.343 564 1HG1 ILE 72 1HG1 ILE 72 -2.850 -6.307 -7.448 565 2HG1 ILE 72 2HG1 ILE 72 -3.835 -5.095 -8.264 566 1HG2 ILE 72 1HG2 ILE 72 -3.979 -6.531 -4.787 567 2HG2 ILE 72 2HG2 ILE 72 -5.394 -7.530 -5.081 568 3HG2 ILE 72 3HG2 ILE 72 -3.872 -7.905 -5.905 569 1HD1 ILE 72 1HD1 ILE 72 -2.407 -3.791 -6.929 570 2HD1 ILE 72 2HD1 ILE 72 -3.920 -3.801 -6.061 571 3HD1 ILE 72 3HD1 ILE 72 -2.582 -4.857 -5.526 572 H ARG 73 H ARG 73 -7.843 -6.432 -6.859 573 HA ARG 73 HA ARG 73 -8.497 -8.865 -5.569 574 1HB ARG 73 1HB ARG 73 -9.686 -6.188 -5.980 575 2HB ARG 73 2HB ARG 73 -10.923 -7.397 -6.048 576 1HG ARG 73 1HG ARG 73 -8.860 -7.218 -3.790 577 2HG ARG 73 2HG ARG 73 -10.439 -6.457 -3.772 578 1HD ARG 73 1HD ARG 73 -11.130 -8.300 -2.753 579 2HD ARG 73 2HD ARG 73 -11.262 -8.960 -4.375 580 HE ARG 73 HE ARG 73 -8.997 -9.309 -2.445 581 1HH1 ARG 73 2HH2 ARG 73 -10.659 -10.720 -5.283 582 2HH1 ARG 73 1HH2 ARG 73 -10.385 -12.347 -4.746 583 1HH2 ARG 73 2HH1 ARG 73 -8.346 -11.326 -2.000 584 2HH2 ARG 73 1HH1 ARG 73 -8.898 -12.718 -2.911 585 H ALA 74 H ALA 74 -8.536 -8.319 -8.938 586 HA ALA 74 HA ALA 74 -10.902 -9.728 -9.681 587 1HB ALA 74 1HB ALA 74 -9.484 -8.371 -11.256 588 2HB ALA 74 2HB ALA 74 -8.222 -9.617 -11.132 589 3HB ALA 74 3HB ALA 74 -9.803 -10.017 -11.824 590 H ASP 75 H ASP 75 -7.935 -10.781 -8.216 591 HA ASP 75 HA ASP 75 -7.211 -12.743 -7.480 592 1HB ASP 75 1HB ASP 75 -8.999 -13.268 -6.268 593 2HB ASP 75 2HB ASP 75 -10.126 -13.202 -7.610 594 H GLY 76 H GLY 76 -7.058 -15.275 -8.135 595 1HA GLY 76 1HA GLY 76 -6.320 -16.774 -9.704 596 2HA GLY 76 2HA GLY 76 -6.964 -15.738 -10.982 597 H ALA 77 H ALA 77 -5.148 -13.597 -9.431 598 HA ALA 77 HA ALA 77 -2.490 -14.455 -10.522 599 1HB ALA 77 1HB ALA 77 -3.648 -13.409 -12.423 600 2HB ALA 77 2HB ALA 77 -3.936 -11.937 -11.466 601 3HB ALA 77 3HB ALA 77 -2.280 -12.415 -11.897 602 H MET 78 H MET 78 -4.261 -12.157 -8.476 603 HA MET 78 HA MET 78 -1.720 -11.335 -7.160 604 1HB MET 78 1HB MET 78 -3.892 -9.426 -8.090 605 2HB MET 78 2HB MET 78 -2.349 -9.004 -7.345 606 1HG MET 78 1HG MET 78 -1.174 -9.916 -9.363 607 2HG MET 78 2HG MET 78 -2.754 -10.231 -10.090 608 1HE MET 78 1HE MET 78 -3.121 -8.891 -12.126 609 2HE MET 78 2HE MET 78 -2.167 -7.433 -12.460 610 3HE MET 78 3HE MET 78 -1.349 -8.967 -12.069 611 H SER 79 H SER 79 -4.462 -12.906 -6.620 612 HA SER 79 HA SER 79 -6.406 -11.514 -5.488 613 1HB SER 79 1HB SER 79 -5.676 -14.168 -4.235 614 2HB SER 79 2HB SER 79 -7.224 -13.620 -4.880 615 HG SER 79 HG SER 79 -5.995 -15.255 -6.071 616 H ALA 80 H ALA 80 -3.809 -13.059 -3.504 617 HA ALA 80 HA ALA 80 -4.990 -12.108 -1.082 618 1HB ALA 80 1HB ALA 80 -2.265 -13.358 -1.627 619 2HB ALA 80 2HB ALA 80 -3.022 -13.188 -0.037 620 3HB ALA 80 3HB ALA 80 -3.783 -14.223 -1.254 621 H LEU 81 H LEU 81 -3.006 -10.336 -3.276 622 HA LEU 81 HA LEU 81 -1.086 -9.222 -1.594 623 1HB LEU 81 1HB LEU 81 -2.445 -8.286 -4.100 624 2HB LEU 81 2HB LEU 81 -1.492 -7.133 -3.215 625 HG LEU 81 HG LEU 81 -0.449 -9.761 -4.326 626 1HD1 LEU 81 1HD1 LEU 81 0.382 -6.975 -5.197 627 2HD1 LEU 81 2HD1 LEU 81 0.569 -8.496 -6.043 628 3HD1 LEU 81 3HD1 LEU 81 -1.039 -7.748 -5.906 629 1HD2 LEU 81 1HD2 LEU 81 0.918 -7.536 -2.729 630 2HD2 LEU 81 2HD2 LEU 81 0.920 -9.272 -2.397 631 3HD2 LEU 81 3HD2 LEU 81 1.805 -8.638 -3.785 632 HA PRO 82 HA PRO 82 -3.841 -6.655 1.004 633 1HB PRO 82 1HB PRO 82 -1.974 -5.693 2.703 634 2HB PRO 82 2HB PRO 82 -2.655 -7.346 2.817 635 1HG PRO 82 1HG PRO 82 -0.029 -6.490 1.598 636 2HG PRO 82 2HG PRO 82 -0.345 -7.886 2.673 637 1HD PRO 82 1HD PRO 82 -0.164 -8.063 -0.060 638 2HD PRO 82 2HD PRO 82 -1.213 -9.144 0.902 639 H VAL 83 H VAL 83 -4.420 -5.098 -0.531 640 HA VAL 83 HA VAL 83 -2.541 -2.922 -1.151 641 HB VAL 83 HB VAL 83 -4.896 -1.895 -1.950 642 1HG1 VAL 83 1HG1 VAL 83 -4.355 -2.648 -4.200 643 2HG1 VAL 83 2HG1 VAL 83 -2.911 -2.147 -3.341 644 3HG1 VAL 83 3HG1 VAL 83 -3.257 -3.892 -3.540 645 1HG2 VAL 83 1HG2 VAL 83 -5.270 -4.894 -2.391 646 2HG2 VAL 83 2HG2 VAL 83 -6.255 -3.853 -1.326 647 3HG2 VAL 83 3HG2 VAL 83 -6.215 -3.583 -3.084 648 H LEU 84 H LEU 84 -2.395 -1.079 -0.018 649 HA LEU 84 HA LEU 84 -4.223 -0.686 2.302 650 1HB LEU 84 1HB LEU 84 -2.183 -1.847 3.048 651 2HB LEU 84 2HB LEU 84 -1.180 -0.610 2.289 652 HG LEU 84 HG LEU 84 -1.892 1.077 3.860 653 1HD1 LEU 84 1HD1 LEU 84 -3.450 0.466 5.755 654 2HD1 LEU 84 2HD1 LEU 84 -4.216 0.673 4.188 655 3HD1 LEU 84 3HD1 LEU 84 -3.923 -0.973 4.813 656 1HD2 LEU 84 1HD2 LEU 84 -0.135 -0.485 4.643 657 2HD2 LEU 84 2HD2 LEU 84 -1.106 0.123 5.985 658 3HD2 LEU 84 3HD2 LEU 84 -1.374 -1.526 5.366 659 H MET 85 H MET 85 -5.179 1.213 2.041 660 HA MET 85 HA MET 85 -4.096 3.109 0.095 661 1HB MET 85 1HB MET 85 -6.675 3.253 1.723 662 2HB MET 85 2HB MET 85 -6.237 4.271 0.358 663 1HG MET 85 1HG MET 85 -6.923 1.320 0.381 664 2HG MET 85 2HG MET 85 -7.771 2.623 -0.436 665 1HE MET 85 1HE MET 85 -4.984 3.423 -3.284 666 2HE MET 85 2HE MET 85 -6.575 3.952 -2.682 667 3HE MET 85 3HE MET 85 -5.108 4.160 -1.691 668 H VAL 86 H VAL 86 -2.378 4.258 0.904 669 HA VAL 86 HA VAL 86 -2.603 5.560 3.581 670 HB VAL 86 HB VAL 86 -0.149 5.019 1.844 671 1HG1 VAL 86 1HG1 VAL 86 1.128 5.706 3.863 672 2HG1 VAL 86 2HG1 VAL 86 0.168 7.021 3.215 673 3HG1 VAL 86 3HG1 VAL 86 -0.387 6.164 4.669 674 1HG2 VAL 86 1HG2 VAL 86 0.514 3.454 3.652 675 2HG2 VAL 86 2HG2 VAL 86 -1.060 3.677 4.428 676 3HG2 VAL 86 3HG2 VAL 86 -0.954 2.930 2.817 677 H THR 87 H THR 87 -3.532 7.614 3.290 678 HA THR 87 HA THR 87 -2.652 9.248 0.998 679 HB THR 87 HB THR 87 -4.311 7.661 0.071 680 HG1 THR 87 1HG THR 87 -4.246 9.634 -0.852 681 1HG2 THR 87 1HG2 THR 87 -6.689 7.801 0.722 682 2HG2 THR 87 2HG2 THR 87 -5.694 7.198 2.055 683 3HG2 THR 87 3HG2 THR 87 -6.274 8.873 2.072 684 H ALA 88 H ALA 88 -3.753 11.407 1.005 685 HA ALA 88 HA ALA 88 -4.341 12.432 3.698 686 1HB ALA 88 1HB ALA 88 -4.518 13.714 0.930 687 2HB ALA 88 2HB ALA 88 -4.662 14.560 2.480 688 3HB ALA 88 3HB ALA 88 -3.115 13.806 2.024 689 H GLU 89 H GLU 89 -6.077 11.017 1.031 690 HA GLU 89 HA GLU 89 -8.402 12.644 1.140 691 1HB GLU 89 1HB GLU 89 -7.824 9.962 -0.183 692 2HB GLU 89 2HB GLU 89 -9.274 10.926 -0.469 693 1HG GLU 89 1HG GLU 89 -6.407 11.872 -0.960 694 2HG GLU 89 2HG GLU 89 -7.506 11.282 -2.197 695 H ALA 90 H ALA 90 -9.309 12.657 3.159 696 HA ALA 90 HA ALA 90 -10.211 10.213 4.475 697 1HB ALA 90 1HB ALA 90 -11.032 13.031 5.191 698 2HB ALA 90 2HB ALA 90 -10.815 11.619 6.247 699 3HB ALA 90 3HB ALA 90 -9.408 12.459 5.551 700 H LYS 91 H LYS 91 -11.343 11.221 1.719 701 HA LYS 91 HA LYS 91 -13.993 12.100 1.978 702 1HB LYS 91 1HB LYS 91 -12.480 11.789 -0.169 703 2HB LYS 91 2HB LYS 91 -13.030 10.134 -0.143 704 1HG LYS 91 1HG LYS 91 -14.509 11.144 -1.616 705 2HG LYS 91 2HG LYS 91 -15.429 11.058 -0.120 706 1HD LYS 91 1HD LYS 91 -14.029 13.525 0.091 707 2HD LYS 91 2HD LYS 91 -14.385 13.431 -1.615 708 1HE LYS 91 1HE LYS 91 -16.409 13.330 0.673 709 2HE LYS 91 2HE LYS 91 -16.032 14.729 -0.336 710 1HZ LYS 91 1HZ LYS 91 -17.952 13.809 -1.224 711 2HZ LYS 91 2HZ LYS 91 -16.811 13.296 -2.261 712 3HZ LYS 91 3HZ LYS 91 -17.436 12.275 -1.104 713 H LYS 92 H LYS 92 -15.735 11.053 3.021 714 HA LYS 92 HA LYS 92 -15.402 8.402 3.989 715 1HB LYS 92 1HB LYS 92 -17.822 10.192 3.741 716 2HB LYS 92 2HB LYS 92 -18.072 8.473 4.005 717 1HG LYS 92 1HG LYS 92 -18.073 9.464 6.121 718 2HG LYS 92 2HG LYS 92 -16.572 8.546 5.998 719 1HD LYS 92 1HD LYS 92 -15.313 10.641 5.621 720 2HD LYS 92 2HD LYS 92 -16.838 11.558 5.597 721 1HE LYS 92 1HE LYS 92 -17.282 10.690 7.950 722 2HE LYS 92 2HE LYS 92 -15.644 10.012 7.948 723 1HZ LYS 92 1HZ LYS 92 -14.823 12.286 7.559 724 2HZ LYS 92 2HZ LYS 92 -16.354 12.861 7.618 725 3HZ LYS 92 3HZ LYS 92 -15.668 12.213 8.971 726 H GLU 93 H GLU 93 -17.098 9.489 0.932 727 HA GLU 93 HA GLU 93 -17.902 6.890 0.262 728 1HB GLU 93 1HB GLU 93 -16.974 9.081 -1.658 729 2HB GLU 93 2HB GLU 93 -17.908 7.647 -2.079 730 1HG GLU 93 1HG GLU 93 -19.706 8.968 -1.837 731 2HG GLU 93 2HG GLU 93 -19.509 8.658 -0.110 732 H ASN 94 H ASN 94 -14.667 8.321 0.020 733 HA ASN 94 HA ASN 94 -13.583 6.276 -1.684 734 1HB ASN 94 1HB ASN 94 -12.132 8.091 0.262 735 2HB ASN 94 2HB ASN 94 -11.374 6.808 -0.646 736 1HD2 ASN 94 1HD2 ASN 94 -10.073 8.716 -1.234 737 2HD2 ASN 94 2HD2 ASN 94 -10.491 9.558 -2.705 738 H ILE 95 H ILE 95 -13.773 6.784 1.895 739 HA ILE 95 HA ILE 95 -12.449 4.372 2.656 740 HB ILE 95 HB ILE 95 -14.482 6.106 4.099 741 1HG1 ILE 95 1HG1 ILE 95 -12.510 6.137 5.772 742 2HG1 ILE 95 2HG1 ILE 95 -11.530 5.451 4.488 743 1HG2 ILE 95 1HG2 ILE 95 -15.028 3.812 4.818 744 2HG2 ILE 95 2HG2 ILE 95 -13.309 3.477 5.111 745 3HG2 ILE 95 3HG2 ILE 95 -14.198 4.658 6.104 746 1HD1 ILE 95 1HD1 ILE 95 -13.029 8.113 4.387 747 2HD1 ILE 95 2HD1 ILE 95 -11.308 7.921 4.736 748 3HD1 ILE 95 3HD1 ILE 95 -11.917 7.494 3.133 749 H ILE 96 H ILE 96 -15.928 4.972 1.980 750 HA ILE 96 HA ILE 96 -16.810 2.282 2.322 751 HB ILE 96 HB ILE 96 -17.880 4.580 0.628 752 1HG1 ILE 96 1HG1 ILE 96 -19.942 4.027 2.162 753 2HG1 ILE 96 2HG1 ILE 96 -18.799 3.122 3.146 754 1HG2 ILE 96 1HG2 ILE 96 -19.855 3.223 0.084 755 2HG2 ILE 96 2HG2 ILE 96 -18.419 2.519 -0.638 756 3HG2 ILE 96 3HG2 ILE 96 -19.091 1.801 0.833 757 1HD1 ILE 96 1HD1 ILE 96 -19.249 5.420 3.945 758 2HD1 ILE 96 2HD1 ILE 96 -17.541 5.193 3.565 759 3HD1 ILE 96 3HD1 ILE 96 -18.618 6.079 2.434 760 H ALA 97 H ALA 97 -15.679 3.986 -0.657 761 HA ALA 97 HA ALA 97 -15.967 1.872 -2.432 762 1HB ALA 97 1HB ALA 97 -13.951 4.149 -2.385 763 2HB ALA 97 2HB ALA 97 -14.156 3.036 -3.747 764 3HB ALA 97 3HB ALA 97 -15.482 4.094 -3.238 765 H ALA 98 H ALA 98 -13.081 2.672 -0.445 766 HA ALA 98 HA ALA 98 -11.441 0.493 -1.271 767 1HB ALA 98 1HB ALA 98 -10.272 2.042 -0.022 768 2HB ALA 98 2HB ALA 98 -11.595 2.266 1.152 769 3HB ALA 98 3HB ALA 98 -10.564 0.826 1.213 770 H ALA 99 H ALA 99 -13.741 0.706 1.519 771 HA ALA 99 HA ALA 99 -13.127 -1.912 2.435 772 1HB ALA 99 1HB ALA 99 -15.202 -1.622 3.810 773 2HB ALA 99 2HB ALA 99 -14.226 -0.149 3.833 774 3HB ALA 99 3HB ALA 99 -15.671 -0.225 2.817 775 H GLN 100 H GLN 100 -15.699 -0.732 0.301 776 HA GLN 100 HA GLN 100 -17.056 -3.162 -0.277 777 1HB GLN 100 1HB GLN 100 -16.644 -0.560 -1.814 778 2HB GLN 100 2HB GLN 100 -17.697 -1.837 -2.384 779 1HG GLN 100 1HG GLN 100 -18.018 -0.411 0.301 780 2HG GLN 100 2HG GLN 100 -18.888 -0.002 -1.180 781 1HE2 GLN 100 1HE2 GLN 100 -19.908 -1.055 1.530 782 2HE2 GLN 100 2HE2 GLN 100 -20.735 -2.546 1.096 783 H ALA 101 H ALA 101 -14.377 -1.488 -2.065 784 HA ALA 101 HA ALA 101 -14.076 -3.397 -4.095 785 1HB ALA 101 1HB ALA 101 -13.164 -1.080 -4.105 786 2HB ALA 101 2HB ALA 101 -12.053 -1.517 -2.820 787 3HB ALA 101 3HB ALA 101 -11.920 -2.300 -4.413 788 H GLY 102 H GLY 102 -12.826 -3.323 -0.768 789 1HA GLY 102 1HA GLY 102 -12.454 -5.540 0.245 790 2HA GLY 102 2HA GLY 102 -11.603 -6.017 -1.221 791 H ALA 103 H ALA 103 -10.957 -2.758 -0.011 792 HA ALA 103 HA ALA 103 -8.171 -3.309 -0.238 793 1HB ALA 103 1HB ALA 103 -9.117 -1.010 1.483 794 2HB ALA 103 2HB ALA 103 -7.776 -1.090 0.320 795 3HB ALA 103 3HB ALA 103 -9.449 -0.957 -0.245 796 H SER 104 H SER 104 -6.590 -3.849 1.302 797 HA SER 104 HA SER 104 -7.608 -5.244 3.574 798 1HB SER 104 1HB SER 104 -5.430 -5.885 3.954 799 2HB SER 104 2HB SER 104 -5.553 -5.794 2.220 800 HG SER 104 HG SER 104 -4.550 -3.733 2.292 801 H GLY 105 H GLY 105 -6.748 -1.876 3.075 802 1HA GLY 105 1HA GLY 105 -8.071 -1.245 5.402 803 2HA GLY 105 2HA GLY 105 -6.331 -1.121 5.784 804 H TYR 106 H TYR 106 -7.605 1.052 6.163 805 HA TYR 106 HA TYR 106 -6.814 2.838 3.941 806 1HB TYR 106 1HB TYR 106 -9.410 2.421 4.583 807 2HB TYR 106 2HB TYR 106 -9.034 3.596 5.829 808 HD1 TYR 106 1HD TYR 106 -7.664 5.784 4.859 809 HD2 TYR 106 2HD TYR 106 -10.201 3.164 2.576 810 HE1 TYR 106 1HE TYR 106 -7.954 7.545 3.168 811 HE2 TYR 106 2HE TYR 106 -10.538 4.968 0.893 812 HH TYR 106 HH TYR 106 -9.270 8.238 1.402 813 H VAL 107 H VAL 107 -5.512 4.470 4.610 814 HA VAL 107 HA VAL 107 -5.038 5.061 7.467 815 HB VAL 107 HB VAL 107 -3.046 4.231 5.329 816 1HG1 VAL 107 1HG1 VAL 107 -1.261 4.727 6.989 817 2HG1 VAL 107 2HG1 VAL 107 -2.098 6.183 6.470 818 3HG1 VAL 107 3HG1 VAL 107 -2.487 5.467 8.054 819 1HG2 VAL 107 1HG2 VAL 107 -3.520 3.251 8.176 820 2HG2 VAL 107 2HG2 VAL 107 -4.021 2.404 6.698 821 3HG2 VAL 107 3HG2 VAL 107 -2.300 2.627 7.040 822 H VAL 108 H VAL 108 -6.371 6.877 7.162 823 HA VAL 108 HA VAL 108 -5.661 8.879 5.155 824 HB VAL 108 HB VAL 108 -7.277 9.198 7.708 825 1HG1 VAL 108 1HG1 VAL 108 -6.439 11.335 6.635 826 2HG1 VAL 108 2HG1 VAL 108 -7.313 10.888 5.162 827 3HG1 VAL 108 3HG1 VAL 108 -8.173 11.171 6.704 828 1HG2 VAL 108 1HG2 VAL 108 -8.364 7.523 6.172 829 2HG2 VAL 108 2HG2 VAL 108 -9.302 8.998 6.374 830 3HG2 VAL 108 3HG2 VAL 108 -8.361 8.762 4.896 831 H LYS 109 H LYS 109 -4.234 10.553 5.573 832 HA LYS 109 HA LYS 109 -2.262 10.503 7.544 833 1HB LYS 109 1HB LYS 109 -1.600 12.598 6.719 834 2HB LYS 109 2HB LYS 109 -2.409 11.842 5.376 835 1HG LYS 109 1HG LYS 109 -3.241 13.966 5.241 836 2HG LYS 109 2HG LYS 109 -4.532 13.213 6.171 837 1HD LYS 109 1HD LYS 109 -3.616 14.207 8.255 838 2HD LYS 109 2HD LYS 109 -2.183 14.757 7.376 839 1HE LYS 109 1HE LYS 109 -3.641 16.227 6.009 840 2HE LYS 109 2HE LYS 109 -5.055 15.677 6.935 841 1HZ LYS 109 1HZ LYS 109 -2.698 17.114 7.984 842 2HZ LYS 109 2HZ LYS 109 -4.186 17.765 7.795 843 3HZ LYS 109 3HZ LYS 109 -3.941 16.597 8.936 844 HA PRO 110 HA PRO 110 -1.021 11.983 8.842 845 1HB PRO 110 1HB PRO 110 -0.186 12.189 11.385 846 2HB PRO 110 2HB PRO 110 -0.865 13.601 10.520 847 1HG PRO 110 1HG PRO 110 -2.309 11.740 12.434 848 2HG PRO 110 2HG PRO 110 -2.285 13.523 12.445 849 1HD PRO 110 1HD PRO 110 -4.300 12.067 11.259 850 2HD PRO 110 2HD PRO 110 -3.771 13.643 10.614 851 H PHE 111 H PHE 111 0.349 10.217 8.955 852 HA PHE 111 HA PHE 111 -0.475 7.860 10.548 853 1HB PHE 111 1HB PHE 111 0.177 6.446 8.534 854 2HB PHE 111 2HB PHE 111 -1.342 7.324 8.488 855 HD1 PHE 111 1HD PHE 111 -1.927 8.508 6.575 856 HD2 PHE 111 2HD PHE 111 2.247 7.699 7.317 857 HE1 PHE 111 1HE PHE 111 -1.340 9.597 4.444 858 HE2 PHE 111 2HE PHE 111 2.814 8.789 5.143 859 HZ PHE 111 HZ PHE 111 1.053 9.760 3.746 860 H THR 112 H THR 112 1.148 6.452 11.093 861 HA THR 112 HA THR 112 3.919 7.410 11.134 862 HB THR 112 HB THR 112 3.558 7.040 13.723 863 HG1 THR 112 1HG THR 112 1.530 7.364 14.466 864 1HG2 THR 112 1HG2 THR 112 4.164 9.183 12.732 865 2HG2 THR 112 2HG2 THR 112 2.483 9.517 12.321 866 3HG2 THR 112 3HG2 THR 112 2.969 9.404 14.021 867 H ALA 113 H ALA 113 5.197 5.646 12.576 868 HA ALA 113 HA ALA 113 4.835 3.130 11.211 869 1HB ALA 113 1HB ALA 113 6.672 2.353 12.569 870 2HB ALA 113 2HB ALA 113 7.067 3.980 12.001 871 3HB ALA 113 3HB ALA 113 6.525 3.723 13.676 872 H ALA 114 H ALA 114 3.960 4.527 14.341 873 HA ALA 114 HA ALA 114 2.840 2.308 15.632 874 1HB ALA 114 1HB ALA 114 1.493 4.017 16.829 875 2HB ALA 114 2HB ALA 114 3.198 4.506 16.677 876 3HB ALA 114 3HB ALA 114 1.958 5.223 15.618 877 H THR 115 H THR 115 1.588 3.815 12.719 878 HA THR 115 HA THR 115 -0.943 2.325 13.149 879 HB THR 115 HB THR 115 -0.834 4.986 12.782 880 HG1 THR 115 1HG THR 115 -2.774 3.195 11.757 881 1HG2 THR 115 1HG2 THR 115 -1.541 5.585 10.542 882 2HG2 THR 115 2HG2 THR 115 0.051 4.800 10.415 883 3HG2 THR 115 3HG2 THR 115 -1.421 3.911 9.983 884 H LEU 116 H LEU 116 1.874 2.787 11.095 885 HA LEU 116 HA LEU 116 1.058 1.190 8.871 886 1HB LEU 116 1HB LEU 116 3.176 2.705 9.209 887 2HB LEU 116 2HB LEU 116 3.867 1.315 10.027 888 HG LEU 116 HG LEU 116 4.744 1.228 7.901 889 1HD1 LEU 116 1HD1 LEU 116 3.856 -0.767 6.839 890 2HD1 LEU 116 2HD1 LEU 116 3.816 -0.936 8.602 891 3HD1 LEU 116 3HD1 LEU 116 2.323 -0.589 7.676 892 1HD2 LEU 116 1HD2 LEU 116 3.551 1.430 5.787 893 2HD2 LEU 116 2HD2 LEU 116 2.016 1.702 6.637 894 3HD2 LEU 116 3HD2 LEU 116 3.346 2.884 6.762 895 H GLU 117 H GLU 117 2.901 0.387 11.888 896 HA GLU 117 HA GLU 117 2.942 -2.395 11.503 897 1HB GLU 117 1HB GLU 117 3.938 -2.500 13.590 898 2HB GLU 117 2HB GLU 117 4.334 -0.898 13.023 899 1HG GLU 117 1HG GLU 117 3.807 -0.490 15.225 900 2HG GLU 117 2HG GLU 117 2.311 -0.054 14.410 901 H GLU 118 H GLU 118 0.514 -0.322 12.972 902 HA GLU 118 HA GLU 118 -1.086 -2.310 14.242 903 1HB GLU 118 1HB GLU 118 -1.203 0.093 14.688 904 2HB GLU 118 2HB GLU 118 -1.725 0.385 13.029 905 1HG GLU 118 1HG GLU 118 -3.673 0.546 14.243 906 2HG GLU 118 2HG GLU 118 -3.741 -1.003 13.445 907 H LYS 119 H LYS 119 -1.237 -0.809 10.977 908 HA LYS 119 HA LYS 119 -3.475 -2.486 10.197 909 1HB LYS 119 1HB LYS 119 -1.591 -0.643 8.709 910 2HB LYS 119 2HB LYS 119 -2.780 -1.629 7.844 911 1HG LYS 119 1HG LYS 119 -3.767 0.073 10.143 912 2HG LYS 119 2HG LYS 119 -3.283 0.876 8.671 913 1HD LYS 119 1HD LYS 119 -5.695 0.396 8.654 914 2HD LYS 119 2HD LYS 119 -4.853 -0.403 7.326 915 1HE LYS 119 1HE LYS 119 -4.866 -2.550 8.632 916 2HE LYS 119 2HE LYS 119 -5.758 -1.707 9.913 917 1HZ LYS 119 1HZ LYS 119 -6.730 -2.363 7.207 918 2HZ LYS 119 2HZ LYS 119 -7.373 -2.808 8.626 919 3HZ LYS 119 3HZ LYS 119 -7.484 -1.253 8.183 920 H LEU 120 H LEU 120 0.073 -2.723 9.843 921 HA LEU 120 HA LEU 120 0.143 -5.092 8.266 922 1HB LEU 120 1HB LEU 120 2.016 -4.152 10.460 923 2HB LEU 120 2HB LEU 120 2.275 -5.614 9.534 924 HG LEU 120 HG LEU 120 2.169 -2.816 8.357 925 1HD1 LEU 120 1HD1 LEU 120 4.467 -4.746 8.877 926 2HD1 LEU 120 2HD1 LEU 120 4.618 -3.191 8.035 927 3HD1 LEU 120 3HD1 LEU 120 4.169 -3.232 9.750 928 1HD2 LEU 120 1HD2 LEU 120 1.465 -4.447 6.671 929 2HD2 LEU 120 2HD2 LEU 120 3.079 -3.860 6.312 930 3HD2 LEU 120 3HD2 LEU 120 2.881 -5.460 7.031 931 H ASN 121 H ASN 121 0.237 -4.799 11.875 932 HA ASN 121 HA ASN 121 0.007 -7.474 12.501 933 1HB ASN 121 1HB ASN 121 0.404 -5.819 14.201 934 2HB ASN 121 2HB ASN 121 -1.160 -5.047 13.910 935 1HD2 ASN 121 1HD2 ASN 121 -2.549 -5.513 15.625 936 2HD2 ASN 121 2HD2 ASN 121 -2.740 -7.135 16.285 937 H LYS 122 H LYS 122 -2.694 -5.221 11.813 938 HA LYS 122 HA LYS 122 -4.728 -7.186 12.134 939 1HB LYS 122 1HB LYS 122 -4.637 -4.588 10.566 940 2HB LYS 122 2HB LYS 122 -6.054 -5.653 10.555 941 1HG LYS 122 1HG LYS 122 -6.121 -5.603 13.039 942 2HG LYS 122 2HG LYS 122 -4.775 -4.480 13.079 943 1HD LYS 122 1HD LYS 122 -7.168 -3.749 11.387 944 2HD LYS 122 2HD LYS 122 -7.375 -3.738 13.131 945 1HE LYS 122 1HE LYS 122 -4.869 -2.401 12.235 946 2HE LYS 122 2HE LYS 122 -6.345 -1.653 11.613 947 1HZ LYS 122 1HZ LYS 122 -5.899 -0.653 13.653 948 2HZ LYS 122 2HZ LYS 122 -7.176 -1.607 13.929 949 3HZ LYS 122 3HZ LYS 122 -5.667 -2.066 14.455 950 H ILE 123 H ILE 123 -2.918 -6.406 9.041 951 HA ILE 123 HA ILE 123 -4.546 -8.452 7.731 952 HB ILE 123 HB ILE 123 -2.955 -8.162 5.800 953 1HG1 ILE 123 1HG1 ILE 123 -1.694 -6.076 7.587 954 2HG1 ILE 123 2HG1 ILE 123 -0.906 -7.484 6.894 955 1HG2 ILE 123 1HG2 ILE 123 -5.087 -6.910 6.078 956 2HG2 ILE 123 2HG2 ILE 123 -4.169 -5.578 6.847 957 3HG2 ILE 123 3HG2 ILE 123 -3.849 -6.048 5.171 958 1HD1 ILE 123 1HD1 ILE 123 -1.962 -5.062 5.351 959 2HD1 ILE 123 2HD1 ILE 123 -0.303 -5.381 5.777 960 3HD1 ILE 123 3HD1 ILE 123 -1.131 -6.495 4.672 961 H PHE 124 H PHE 124 -1.396 -8.447 9.299 962 HA PHE 124 HA PHE 124 -0.375 -10.969 8.525 963 1HB PHE 124 1HB PHE 124 -0.286 -9.233 10.986 964 2HB PHE 124 2HB PHE 124 0.291 -10.865 11.085 965 HD1 PHE 124 1HD PHE 124 2.600 -10.782 11.377 966 HD2 PHE 124 2HD PHE 124 0.808 -8.346 8.297 967 HE1 PHE 124 1HE PHE 124 4.837 -9.956 10.700 968 HE2 PHE 124 2HE PHE 124 3.038 -7.530 7.651 969 HZ PHE 124 HZ PHE 124 5.067 -8.326 8.857 970 H GLU 125 H GLU 125 -2.521 -10.021 11.244 971 HA GLU 125 HA GLU 125 -3.046 -12.718 12.022 972 1HB GLU 125 1HB GLU 125 -4.426 -10.031 12.529 973 2HB GLU 125 2HB GLU 125 -4.997 -11.522 13.267 974 1HG GLU 125 1HG GLU 125 -2.143 -10.519 13.625 975 2HG GLU 125 2HG GLU 125 -3.470 -10.065 14.684 976 H LYS 126 H LYS 126 -5.019 -10.310 10.231 977 HA LYS 126 HA LYS 126 -7.261 -12.075 10.362 978 1HB LYS 126 1HB LYS 126 -7.271 -9.551 10.465 979 2HB LYS 126 2HB LYS 126 -7.020 -9.509 8.720 980 1HG LYS 126 1HG LYS 126 -9.305 -11.047 10.044 981 2HG LYS 126 2HG LYS 126 -9.462 -9.342 9.701 982 1HD LYS 126 1HD LYS 126 -8.556 -11.081 7.443 983 2HD LYS 126 2HD LYS 126 -10.170 -11.315 8.003 984 1HE LYS 126 1HE LYS 126 -9.763 -9.718 6.010 985 2HE LYS 126 2HE LYS 126 -10.900 -9.222 7.262 986 1HZ LYS 126 1HZ LYS 126 -9.423 -7.430 6.641 987 2HZ LYS 126 2HZ LYS 126 -9.212 -7.805 8.204 988 3HZ LYS 126 3HZ LYS 126 -8.110 -8.294 7.076 989 H LEU 127 H LEU 127 -5.341 -10.842 7.535 990 HA LEU 127 HA LEU 127 -6.651 -12.693 5.737 991 1HB LEU 127 1HB LEU 127 -3.978 -11.454 5.220 992 2HB LEU 127 2HB LEU 127 -5.236 -11.860 4.082 993 HG LEU 127 HG LEU 127 -5.086 -9.465 5.937 994 1HD1 LEU 127 1HD1 LEU 127 -5.214 -9.597 2.911 995 2HD1 LEU 127 2HD1 LEU 127 -5.073 -8.143 3.893 996 3HD1 LEU 127 3HD1 LEU 127 -3.757 -9.320 3.861 997 1HD2 LEU 127 1HD2 LEU 127 -7.377 -10.116 5.987 998 2HD2 LEU 127 2HD2 LEU 127 -7.230 -8.686 4.962 999 3HD2 LEU 127 3HD2 LEU 127 -7.446 -10.305 4.239 1000 H GLY 128 H GLY 128 -3.806 -12.694 7.838 1001 1HA GLY 128 1HA GLY 128 -2.529 -14.562 8.495 1002 2HA GLY 128 2HA GLY 128 -3.158 -15.492 7.138 1003 H MET 129 H MET 129 -1.838 -12.104 7.143 1004 HA MET 129 HA MET 129 0.087 -12.907 5.010 1005 1HB MET 129 2HB MET 129 -0.401 -10.237 6.362 1006 2HB MET 129 3HB MET 129 0.773 -10.541 5.077 1007 1HG MET 129 2HG MET 129 -2.216 -10.658 4.889 1008 2HG MET 129 3HG MET 129 -1.167 -9.450 4.220 1009 1HE MET 129 1HE MET 129 -2.791 -12.930 3.829 1010 2HE MET 129 2HE MET 129 -2.239 -13.480 2.230 1011 3HE MET 129 3HE MET 129 -1.184 -13.661 3.622 Start of MODEL 4 1 1H MET 1 H MET 1 20.616 -19.953 -0.914 2 2H MET 1 2HN MET 1 19.532 -18.727 -0.776 3 3H MET 1 3HN MET 1 20.970 -18.456 -1.540 4 HA MET 1 HA MET 1 20.559 -19.106 1.274 5 1HB MET 1 2HB MET 1 22.692 -19.934 -0.080 6 2HB MET 1 3HB MET 1 23.278 -18.310 0.247 7 1HG MET 1 2HG MET 1 22.189 -20.248 2.328 8 2HG MET 1 3HG MET 1 23.888 -20.118 1.903 9 1HE MET 1 1HE MET 1 25.553 -18.587 2.932 10 2HE MET 1 2HE MET 1 24.914 -17.379 1.796 11 3HE MET 1 3HE MET 1 25.177 -16.946 3.501 12 H ALA 2 H ALA 2 18.915 -17.352 0.917 13 HA ALA 2 HA ALA 2 19.882 -14.634 1.335 14 1HB ALA 2 1HB ALA 2 18.543 -13.810 -0.598 15 2HB ALA 2 2HB ALA 2 19.810 -14.901 -1.185 16 3HB ALA 2 3HB ALA 2 18.137 -15.471 -1.047 17 H ASP 3 H ASP 3 17.903 -13.278 1.770 18 HA ASP 3 HA ASP 3 15.928 -14.494 3.511 19 1HB ASP 3 1HB ASP 3 16.119 -11.806 2.103 20 2HB ASP 3 2HB ASP 3 14.803 -12.213 3.188 21 H LYS 4 H LYS 4 13.439 -14.042 2.918 22 HA LYS 4 HA LYS 4 12.761 -15.022 0.246 23 1HB LYS 4 1HB LYS 4 11.196 -15.324 2.107 24 2HB LYS 4 2HB LYS 4 11.121 -13.570 2.376 25 1HG LYS 4 1HG LYS 4 10.020 -13.199 0.266 26 2HG LYS 4 2HG LYS 4 10.319 -14.864 -0.254 27 1HD LYS 4 1HD LYS 4 8.835 -15.673 1.559 28 2HD LYS 4 2HD LYS 4 8.497 -13.998 2.037 29 1HE LYS 4 1HE LYS 4 7.552 -13.489 -0.151 30 2HE LYS 4 2HE LYS 4 8.045 -15.056 -0.796 31 1HZ LYS 4 1HZ LYS 4 6.460 -16.141 0.478 32 2HZ LYS 4 2HZ LYS 4 6.117 -14.824 1.426 33 3HZ LYS 4 3HZ LYS 4 5.662 -14.866 -0.155 34 H GLU 5 H GLU 5 13.556 -11.934 1.746 35 HA GLU 5 HA GLU 5 13.408 -9.782 1.092 36 1HB GLU 5 1HB GLU 5 14.229 -10.932 -1.593 37 2HB GLU 5 2HB GLU 5 14.252 -9.223 -1.128 38 1HG GLU 5 1HG GLU 5 15.751 -9.925 0.832 39 2HG GLU 5 2HG GLU 5 15.923 -11.480 -0.021 40 H LEU 6 H LEU 6 11.001 -10.779 1.436 41 HA LEU 6 HA LEU 6 9.119 -10.710 -0.673 42 1HB LEU 6 1HB LEU 6 8.563 -11.556 1.553 43 2HB LEU 6 2HB LEU 6 8.824 -9.973 2.270 44 HG LEU 6 HG LEU 6 6.936 -9.684 0.066 45 1HD1 LEU 6 1HD1 LEU 6 5.057 -11.036 1.026 46 2HD1 LEU 6 2HD1 LEU 6 6.328 -11.959 0.234 47 3HD1 LEU 6 3HD1 LEU 6 6.248 -11.886 2.015 48 1HD2 LEU 6 1HD2 LEU 6 7.100 -8.131 1.949 49 2HD2 LEU 6 2HD2 LEU 6 5.467 -8.796 1.808 50 3HD2 LEU 6 3HD2 LEU 6 6.559 -9.403 3.070 51 H LYS 7 H LYS 7 8.909 -9.088 -2.077 52 HA LYS 7 HA LYS 7 10.091 -6.559 -1.445 53 1HB LYS 7 1HB LYS 7 9.905 -7.845 -3.771 54 2HB LYS 7 2HB LYS 7 8.366 -6.983 -3.900 55 1HG LYS 7 1HG LYS 7 9.947 -5.571 -4.961 56 2HG LYS 7 2HG LYS 7 9.686 -4.837 -3.386 57 1HD LYS 7 1HD LYS 7 11.921 -4.815 -3.220 58 2HD LYS 7 2HD LYS 7 11.816 -6.549 -2.860 59 1HE LYS 7 1HE LYS 7 11.961 -6.982 -5.368 60 2HE LYS 7 2HE LYS 7 12.212 -5.250 -5.565 61 1HZ LYS 7 1HZ LYS 7 14.030 -7.167 -4.248 62 2HZ LYS 7 2HZ LYS 7 14.349 -6.187 -5.526 63 3HZ LYS 7 3HZ LYS 7 14.177 -5.521 -4.061 64 H PHE 8 H PHE 8 9.205 -4.608 -0.920 65 HA PHE 8 HA PHE 8 6.259 -4.430 -0.553 66 1HB PHE 8 1HB PHE 8 8.687 -2.986 0.533 67 2HB PHE 8 2HB PHE 8 7.152 -2.132 0.401 68 HD1 PHE 8 1HD PHE 8 8.353 -5.525 1.675 69 HD2 PHE 8 2HD PHE 8 5.892 -2.026 2.313 70 HE1 PHE 8 1HE PHE 8 7.467 -6.511 3.758 71 HE2 PHE 8 2HE PHE 8 5.021 -3.036 4.402 72 HZ PHE 8 HZ PHE 8 5.762 -5.292 5.088 73 H LEU 9 H LEU 9 5.167 -2.813 -1.755 74 HA LEU 9 HA LEU 9 6.791 -1.203 -3.634 75 1HB LEU 9 1HB LEU 9 5.330 -2.926 -4.813 76 2HB LEU 9 2HB LEU 9 3.937 -2.177 -4.049 77 HG LEU 9 HG LEU 9 4.551 -0.017 -5.185 78 1HD1 LEU 9 1HD1 LEU 9 6.110 -0.140 -7.139 79 2HD1 LEU 9 2HD1 LEU 9 6.935 -0.317 -5.603 80 3HD1 LEU 9 3HD1 LEU 9 6.623 -1.753 -6.585 81 1HD2 LEU 9 1HD2 LEU 9 2.873 -1.527 -6.128 82 2HD2 LEU 9 2HD2 LEU 9 3.808 -0.751 -7.412 83 3HD2 LEU 9 3HD2 LEU 9 4.143 -2.439 -6.977 84 H VAL 10 H VAL 10 6.424 0.941 -3.453 85 HA VAL 10 HA VAL 10 4.131 1.861 -1.778 86 HB VAL 10 HB VAL 10 6.884 3.108 -1.650 87 1HG1 VAL 10 1HG1 VAL 10 4.397 3.391 0.103 88 2HG1 VAL 10 2HG1 VAL 10 5.954 4.235 0.319 89 3HG1 VAL 10 3HG1 VAL 10 4.957 4.577 -1.092 90 1HG2 VAL 10 1HG2 VAL 10 7.097 0.891 -0.655 91 2HG2 VAL 10 2HG2 VAL 10 7.040 2.099 0.625 92 3HG2 VAL 10 3HG2 VAL 10 5.597 1.119 0.270 93 H VAL 11 H VAL 11 2.774 2.798 -3.238 94 HA VAL 11 HA VAL 11 3.941 4.787 -5.131 95 HB VAL 11 HB VAL 11 1.454 3.238 -5.938 96 1HG1 VAL 11 1HG1 VAL 11 1.996 5.319 -7.100 97 2HG1 VAL 11 2HG1 VAL 11 3.614 4.705 -7.483 98 3HG1 VAL 11 3HG1 VAL 11 2.165 3.913 -8.155 99 1HG2 VAL 11 1HG2 VAL 11 2.971 1.454 -5.573 100 2HG2 VAL 11 2HG2 VAL 11 2.984 1.781 -7.295 101 3HG2 VAL 11 3HG2 VAL 11 4.338 2.348 -6.304 102 H ASP 12 H ASP 12 3.524 5.786 -2.851 103 HA ASP 12 HA ASP 12 0.920 7.000 -2.457 104 1HB ASP 12 1HB ASP 12 2.208 8.661 -1.216 105 2HB ASP 12 2HB ASP 12 2.607 7.023 -0.678 106 H ASP 13 H ASP 13 0.572 9.350 -3.128 107 HA ASP 13 HA ASP 13 1.602 9.900 -5.832 108 1HB ASP 13 1HB ASP 13 -0.587 10.627 -5.610 109 2HB ASP 13 2HB ASP 13 -0.383 11.139 -3.938 110 H PHE 14 H PHE 14 1.908 11.244 -2.589 111 HA PHE 14 HA PHE 14 2.949 13.662 -3.405 112 1HB PHE 14 1HB PHE 14 1.837 13.114 -1.236 113 2HB PHE 14 2HB PHE 14 3.332 12.348 -0.710 114 HD1 PHE 14 1HD PHE 14 3.859 13.657 1.199 115 HD2 PHE 14 2HD PHE 14 2.996 15.653 -2.541 116 HE1 PHE 14 1HE PHE 14 4.595 15.799 2.162 117 HE2 PHE 14 2HE PHE 14 3.783 17.767 -1.578 118 HZ PHE 14 HZ PHE 14 4.582 17.867 0.773 119 H SER 15 H SER 15 4.815 10.744 -3.006 120 HA SER 15 HA SER 15 6.863 10.204 -3.472 121 1HB SER 15 1HB SER 15 6.651 11.842 -5.366 122 2HB SER 15 2HB SER 15 7.572 12.998 -4.378 123 HG SER 15 HG SER 15 8.814 11.601 -5.840 124 H THR 16 H THR 16 6.851 13.395 -1.777 125 HA THR 16 HA THR 16 8.892 12.780 0.149 126 HB THR 16 HB THR 16 6.328 14.394 0.253 127 HG1 THR 16 1HG THR 16 7.612 15.512 -0.933 128 1HG2 THR 16 1HG2 THR 16 7.286 15.481 2.309 129 2HG2 THR 16 2HG2 THR 16 6.755 13.822 2.547 130 3HG2 THR 16 3HG2 THR 16 8.490 14.158 2.380 131 H MET 17 H MET 17 5.467 11.699 -0.239 132 HA MET 17 HA MET 17 5.391 10.498 2.347 133 1HB MET 17 1HB MET 17 3.430 11.293 1.244 134 2HB MET 17 2HB MET 17 3.558 10.111 -0.027 135 1HG MET 17 1HG MET 17 2.941 8.342 1.421 136 2HG MET 17 2HG MET 17 3.428 9.257 2.850 137 1HE MET 17 1HE MET 17 -0.496 10.225 0.526 138 2HE MET 17 2HE MET 17 1.107 10.360 -0.206 139 3HE MET 17 3HE MET 17 0.433 8.758 0.189 140 H ARG 18 H ARG 18 6.955 9.382 -0.657 141 HA ARG 18 HA ARG 18 7.074 6.610 0.003 142 1HB ARG 18 1HB ARG 18 9.184 8.381 -1.329 143 2HB ARG 18 2HB ARG 18 9.151 6.623 -1.335 144 1HG ARG 18 1HG ARG 18 7.223 6.542 -2.712 145 2HG ARG 18 2HG ARG 18 6.944 8.294 -2.514 146 1HD ARG 18 1HD ARG 18 9.063 8.745 -3.703 147 2HD ARG 18 2HD ARG 18 9.229 7.032 -4.047 148 HE ARG 18 HE ARG 18 8.261 8.433 -5.859 149 1HH1 ARG 18 2HH2 ARG 18 5.679 7.174 -3.578 150 2HH1 ARG 18 1HH2 ARG 18 4.511 7.463 -4.789 151 1HH2 ARG 18 2HH1 ARG 18 6.660 8.576 -7.287 152 2HH2 ARG 18 1HH1 ARG 18 5.007 8.263 -6.879 153 H ARG 19 H ARG 19 8.972 9.479 0.836 154 HA ARG 19 HA ARG 19 11.015 8.185 2.369 155 1HB ARG 19 1HB ARG 19 10.012 11.022 2.890 156 2HB ARG 19 2HB ARG 19 11.604 10.373 3.200 157 1HG ARG 19 1HG ARG 19 10.398 10.815 0.455 158 2HG ARG 19 2HG ARG 19 11.481 11.939 1.258 159 1HD ARG 19 1HD ARG 19 12.432 9.102 0.993 160 2HD ARG 19 2HD ARG 19 12.295 10.057 -0.483 161 HE ARG 19 HE ARG 19 14.037 11.407 0.135 162 1HH1 ARG 19 2HH2 ARG 19 13.329 9.318 2.953 163 2HH1 ARG 19 1HH2 ARG 19 14.866 9.670 3.677 164 1HH2 ARG 19 2HH1 ARG 19 15.948 11.840 1.126 165 2HH2 ARG 19 1HH1 ARG 19 16.423 11.066 2.601 166 H ILE 20 H ILE 20 7.964 9.824 3.355 167 HA ILE 20 HA ILE 20 8.150 9.142 6.086 168 HB ILE 20 HB ILE 20 5.794 9.756 4.309 169 1HG1 ILE 20 1HG1 ILE 20 5.488 11.596 5.950 170 2HG1 ILE 20 2HG1 ILE 20 6.864 11.007 6.889 171 1HG2 ILE 20 1HG2 ILE 20 4.810 8.078 5.766 172 2HG2 ILE 20 2HG2 ILE 20 5.574 8.803 7.194 173 3HG2 ILE 20 3HG2 ILE 20 4.285 9.653 6.306 174 1HD1 ILE 20 1HD1 ILE 20 6.977 12.070 4.046 175 2HD1 ILE 20 2HD1 ILE 20 7.395 12.985 5.504 176 3HD1 ILE 20 3HD1 ILE 20 8.384 11.596 5.035 177 H VAL 21 H VAL 21 6.137 7.276 3.707 178 HA VAL 21 HA VAL 21 5.554 5.229 5.480 179 HB VAL 21 HB VAL 21 5.751 5.189 2.443 180 1HG1 VAL 21 1HG1 VAL 21 4.193 3.212 2.560 181 2HG1 VAL 21 2HG1 VAL 21 5.817 2.858 3.132 182 3HG1 VAL 21 3HG1 VAL 21 4.508 3.112 4.309 183 1HG2 VAL 21 1HG2 VAL 21 3.338 5.394 4.306 184 2HG2 VAL 21 2HG2 VAL 21 4.062 6.764 3.433 185 3HG2 VAL 21 3HG2 VAL 21 3.313 5.452 2.531 186 H ARG 22 H ARG 22 8.390 5.306 3.204 187 HA ARG 22 HA ARG 22 9.261 2.683 3.948 188 1HB ARG 22 1HB ARG 22 9.917 4.079 1.897 189 2HB ARG 22 2HB ARG 22 11.040 4.938 2.961 190 1HG ARG 22 1HG ARG 22 12.096 2.674 3.490 191 2HG ARG 22 2HG ARG 22 11.004 1.946 2.317 192 1HD ARG 22 1HD ARG 22 11.921 3.416 0.533 193 2HD ARG 22 2HD ARG 22 13.005 4.172 1.701 194 HE ARG 22 HE ARG 22 13.370 1.686 0.318 195 1HH1 ARG 22 2HH2 ARG 22 14.321 3.474 3.248 196 2HH1 ARG 22 1HH2 ARG 22 15.712 2.482 3.542 197 1HH2 ARG 22 2HH1 ARG 22 15.209 0.397 0.752 198 2HH2 ARG 22 1HH1 ARG 22 16.292 0.810 2.052 199 H ASN 23 H ASN 23 9.879 5.910 5.429 200 HA ASN 23 HA ASN 23 11.900 4.900 7.226 201 1HB ASN 23 1HB ASN 23 11.412 7.335 6.446 202 2HB ASN 23 2HB ASN 23 10.224 7.370 7.753 203 1HD2 ASN 23 1HD2 ASN 23 11.148 7.570 9.972 204 2HD2 ASN 23 2HD2 ASN 23 12.899 7.711 10.137 205 H LEU 24 H LEU 24 8.360 5.213 7.368 206 HA LEU 24 HA LEU 24 8.096 4.450 10.162 207 1HB LEU 24 1HB LEU 24 6.097 4.056 7.900 208 2HB LEU 24 2HB LEU 24 5.764 3.955 9.625 209 HG LEU 24 HG LEU 24 6.593 6.487 8.155 210 1HD1 LEU 24 1HD1 LEU 24 4.300 7.217 8.503 211 2HD1 LEU 24 2HD1 LEU 24 4.397 5.767 7.504 212 3HD1 LEU 24 3HD1 LEU 24 3.892 5.622 9.198 213 1HD2 LEU 24 1HD2 LEU 24 7.423 6.729 10.310 214 2HD2 LEU 24 2HD2 LEU 24 5.907 7.618 10.294 215 3HD2 LEU 24 3HD2 LEU 24 6.015 6.003 11.063 216 H LEU 25 H LEU 25 8.227 2.655 7.069 217 HA LEU 25 HA LEU 25 7.945 0.059 8.286 218 1HB LEU 25 1HB LEU 25 9.104 1.011 5.645 219 2HB LEU 25 2HB LEU 25 9.083 -0.690 6.087 220 HG LEU 25 HG LEU 25 6.527 0.951 6.199 221 1HD1 LEU 25 1HD1 LEU 25 7.558 -0.509 3.745 222 2HD1 LEU 25 2HD1 LEU 25 5.953 0.239 3.951 223 3HD1 LEU 25 3HD1 LEU 25 7.395 1.255 3.936 224 1HD2 LEU 25 1HD2 LEU 25 6.514 -1.289 7.252 225 2HD2 LEU 25 2HD2 LEU 25 5.461 -1.233 5.844 226 3HD2 LEU 25 3HD2 LEU 25 7.058 -2.016 5.730 227 H LYS 26 H LYS 26 10.842 2.123 7.636 228 HA LYS 26 HA LYS 26 12.649 0.154 8.622 229 1HB LYS 26 1HB LYS 26 12.815 3.172 8.427 230 2HB LYS 26 2HB LYS 26 14.125 2.251 9.145 231 1HG LYS 26 1HG LYS 26 13.130 1.359 6.431 232 2HG LYS 26 2HG LYS 26 14.052 2.853 6.528 233 1HD LYS 26 1HD LYS 26 15.508 0.959 6.007 234 2HD LYS 26 2HD LYS 26 15.950 1.718 7.541 235 1HE LYS 26 1HE LYS 26 14.782 -0.063 8.779 236 2HE LYS 26 2HE LYS 26 14.300 -0.833 7.260 237 1HZ LYS 26 1HZ LYS 26 16.247 -1.858 8.270 238 2HZ LYS 26 2HZ LYS 26 16.640 -1.214 6.797 239 3HZ LYS 26 3HZ LYS 26 17.098 -0.468 8.178 240 H GLU 27 H GLU 27 10.724 2.583 10.449 241 HA GLU 27 HA GLU 27 11.833 2.043 12.992 242 1HB GLU 27 1HB GLU 27 8.964 2.652 12.207 243 2HB GLU 27 2HB GLU 27 9.446 2.465 13.875 244 1HG GLU 27 1HG GLU 27 10.932 4.440 12.133 245 2HG GLU 27 2HG GLU 27 9.311 4.809 12.738 246 H LEU 28 H LEU 28 8.898 0.381 11.658 247 HA LEU 28 HA LEU 28 9.576 -2.029 13.241 248 1HB LEU 28 1HB LEU 28 7.357 -1.946 14.384 249 2HB LEU 28 2HB LEU 28 8.555 -0.791 14.908 250 HG LEU 28 HG LEU 28 7.439 1.042 13.780 251 1HD1 LEU 28 1HD1 LEU 28 5.144 0.735 12.824 252 2HD1 LEU 28 2HD1 LEU 28 6.435 0.053 11.830 253 3HD1 LEU 28 3HD1 LEU 28 5.424 -1.020 12.825 254 1HD2 LEU 28 1HD2 LEU 28 5.656 -0.676 15.544 255 2HD2 LEU 28 2HD2 LEU 28 6.835 0.537 16.063 256 3HD2 LEU 28 3HD2 LEU 28 5.373 1.043 15.203 257 H GLY 29 H GLY 29 9.385 -1.557 10.385 258 1HA GLY 29 1HA GLY 29 7.453 -3.724 9.758 259 2HA GLY 29 2HA GLY 29 7.675 -2.330 8.693 260 H PHE 30 H PHE 30 9.289 -2.514 7.127 261 HA PHE 30 HA PHE 30 11.088 -4.858 7.267 262 1HB PHE 30 1HB PHE 30 8.937 -4.309 5.191 263 2HB PHE 30 2HB PHE 30 10.128 -5.588 5.077 264 HD1 PHE 30 1HD PHE 30 9.903 -7.674 6.295 265 HD2 PHE 30 2HD PHE 30 7.117 -4.443 6.935 266 HE1 PHE 30 1HE PHE 30 8.380 -9.217 7.482 267 HE2 PHE 30 2HE PHE 30 5.592 -5.986 8.096 268 HZ PHE 30 HZ PHE 30 6.219 -8.403 8.376 269 H ASN 31 H ASN 31 12.203 -5.016 5.025 270 HA ASN 31 HA ASN 31 12.950 -2.346 3.938 271 1HB ASN 31 1HB ASN 31 15.218 -2.902 3.794 272 2HB ASN 31 2HB ASN 31 14.772 -3.414 5.412 273 1HD2 ASN 31 1HD2 ASN 31 14.669 -5.791 5.834 274 2HD2 ASN 31 2HD2 ASN 31 15.426 -6.895 4.710 275 H ASN 32 H ASN 32 14.281 -2.926 1.728 276 HA ASN 32 HA ASN 32 14.071 -3.368 -0.450 277 1HB ASN 32 1HB ASN 32 13.236 -6.058 0.585 278 2HB ASN 32 2HB ASN 32 13.036 -5.654 -1.108 279 1HD2 ASN 32 1HD2 ASN 32 14.592 -7.468 -1.494 280 2HD2 ASN 32 2HD2 ASN 32 16.281 -7.117 -1.396 281 H VAL 33 H VAL 33 12.716 -1.538 -0.383 282 HA VAL 33 HA VAL 33 9.968 -2.210 -1.221 283 HB VAL 33 HB VAL 33 8.968 -0.691 0.004 284 1HG1 VAL 33 1HG1 VAL 33 11.497 -0.560 1.693 285 2HG1 VAL 33 2HG1 VAL 33 9.828 -0.265 2.219 286 3HG1 VAL 33 3HG1 VAL 33 10.320 -1.892 1.744 287 1HG2 VAL 33 1HG2 VAL 33 9.667 1.555 0.568 288 2HG2 VAL 33 2HG2 VAL 33 11.274 1.243 -0.156 289 3HG2 VAL 33 3HG2 VAL 33 9.808 1.253 -1.151 290 H GLU 34 H GLU 34 9.548 -1.668 -3.247 291 HA GLU 34 HA GLU 34 11.333 0.199 -4.748 292 1HB GLU 34 1HB GLU 34 9.839 -2.271 -5.401 293 2HB GLU 34 2HB GLU 34 9.389 -0.955 -6.459 294 1HG GLU 34 1HG GLU 34 11.230 -2.290 -7.410 295 2HG GLU 34 2HG GLU 34 11.639 -0.594 -7.202 296 H GLU 35 H GLU 35 9.877 1.511 -6.350 297 HA GLU 35 HA GLU 35 7.270 2.205 -5.240 298 1HB GLU 35 1HB GLU 35 9.321 4.340 -5.989 299 2HB GLU 35 2HB GLU 35 7.679 4.591 -5.445 300 1HG GLU 35 1HG GLU 35 8.809 4.997 -3.485 301 2HG GLU 35 2HG GLU 35 8.407 3.310 -3.268 302 H ALA 36 H ALA 36 6.265 3.828 -7.038 303 HA ALA 36 HA ALA 36 7.063 2.953 -9.736 304 1HB ALA 36 1HB ALA 36 4.940 2.114 -10.321 305 2HB ALA 36 2HB ALA 36 5.208 1.411 -8.719 306 3HB ALA 36 3HB ALA 36 4.153 2.826 -8.924 307 H GLU 37 H GLU 37 5.517 4.168 -11.324 308 HA GLU 37 HA GLU 37 5.691 7.022 -10.734 309 1HB GLU 37 1HB GLU 37 4.442 5.500 -13.069 310 2HB GLU 37 2HB GLU 37 4.651 7.240 -12.986 311 1HG GLU 37 1HG GLU 37 7.240 6.168 -12.470 312 2HG GLU 37 2HG GLU 37 6.565 5.177 -13.766 313 H ASP 38 H ASP 38 3.117 4.556 -10.888 314 HA ASP 38 HA ASP 38 0.915 6.110 -9.883 315 1HB ASP 38 1HB ASP 38 0.971 7.286 -11.933 316 2HB ASP 38 2HB ASP 38 1.616 5.928 -12.823 317 H GLY 39 H GLY 39 -1.064 4.648 -10.119 318 1HA GLY 39 1HA GLY 39 -0.743 1.992 -9.527 319 2HA GLY 39 2HA GLY 39 -2.191 2.675 -10.244 320 H VAL 40 H VAL 40 -1.064 3.317 -12.934 321 HA VAL 40 HA VAL 40 -1.419 0.758 -14.148 322 HB VAL 40 HB VAL 40 -0.138 3.290 -15.271 323 1HG1 VAL 40 1HG1 VAL 40 0.256 1.433 -16.752 324 2HG1 VAL 40 2HG1 VAL 40 -1.471 0.976 -16.681 325 3HG1 VAL 40 3HG1 VAL 40 -0.960 2.495 -17.451 326 1HG2 VAL 40 1HG2 VAL 40 -2.453 3.746 -14.404 327 2HG2 VAL 40 2HG2 VAL 40 -2.321 3.915 -16.142 328 3HG2 VAL 40 3HG2 VAL 40 -3.073 2.458 -15.455 329 H ASP 41 H ASP 41 1.383 2.573 -13.074 330 HA ASP 41 HA ASP 41 3.398 0.834 -14.293 331 1HB ASP 41 1HB ASP 41 3.562 3.370 -13.893 332 2HB ASP 41 2HB ASP 41 3.783 3.000 -12.185 333 H ALA 42 H ALA 42 1.801 1.365 -11.149 334 HA ALA 42 HA ALA 42 3.441 -0.186 -9.482 335 1HB ALA 42 1HB ALA 42 1.501 1.402 -8.836 336 2HB ALA 42 2HB ALA 42 0.411 0.071 -9.243 337 3HB ALA 42 3HB ALA 42 1.576 -0.141 -7.945 338 H LEU 43 H LEU 43 0.558 -1.002 -11.394 339 HA LEU 43 HA LEU 43 0.306 -3.719 -10.840 340 1HB LEU 43 1HB LEU 43 -1.068 -1.969 -12.355 341 2HB LEU 43 2HB LEU 43 -0.101 -2.679 -13.640 342 HG LEU 43 HG LEU 43 -0.908 -4.964 -12.598 343 1HD1 LEU 43 1HD1 LEU 43 -1.933 -3.925 -10.563 344 2HD1 LEU 43 2HD1 LEU 43 -3.132 -3.145 -11.608 345 3HD1 LEU 43 3HD1 LEU 43 -3.055 -4.922 -11.491 346 1HD2 LEU 43 1HD2 LEU 43 -2.824 -3.125 -14.104 347 2HD2 LEU 43 2HD2 LEU 43 -1.573 -4.148 -14.835 348 3HD2 LEU 43 3HD2 LEU 43 -2.946 -4.902 -14.013 349 H ASN 44 H ASN 44 2.314 -2.115 -13.284 350 HA ASN 44 HA ASN 44 3.501 -4.517 -14.325 351 1HB ASN 44 1HB ASN 44 3.246 -2.364 -15.577 352 2HB ASN 44 2HB ASN 44 4.537 -1.686 -14.579 353 1HD2 ASN 44 1HD2 ASN 44 5.699 -1.386 -16.669 354 2HD2 ASN 44 2HD2 ASN 44 6.413 -2.760 -17.487 355 H LYS 45 H LYS 45 4.289 -2.505 -11.514 356 HA LYS 45 HA LYS 45 6.841 -3.895 -11.091 357 1HB LYS 45 1HB LYS 45 5.127 -2.215 -9.255 358 2HB LYS 45 2HB LYS 45 6.259 -3.369 -8.576 359 1HG LYS 45 1HG LYS 45 7.495 -1.388 -8.708 360 2HG LYS 45 2HG LYS 45 8.055 -2.370 -10.056 361 1HD LYS 45 1HD LYS 45 6.521 -1.062 -11.574 362 2HD LYS 45 2HD LYS 45 6.010 -0.113 -10.191 363 1HE LYS 45 1HE LYS 45 7.685 1.177 -11.316 364 2HE LYS 45 2HE LYS 45 8.439 0.554 -9.847 365 1HZ LYS 45 1HZ LYS 45 9.537 -1.088 -11.100 366 2HZ LYS 45 2HZ LYS 45 8.687 -0.753 -12.476 367 3HZ LYS 45 3HZ LYS 45 9.791 0.331 -11.875 368 H LEU 46 H LEU 46 3.457 -4.501 -9.972 369 HA LEU 46 HA LEU 46 4.080 -6.680 -8.310 370 1HB LEU 46 1HB LEU 46 1.574 -6.870 -9.973 371 2HB LEU 46 2HB LEU 46 1.826 -7.306 -8.290 372 HG LEU 46 HG LEU 46 1.681 -4.519 -9.419 373 1HD1 LEU 46 1HD1 LEU 46 -0.387 -5.935 -7.803 374 2HD1 LEU 46 2HD1 LEU 46 -0.476 -4.354 -8.648 375 3HD1 LEU 46 3HD1 LEU 46 -0.401 -5.832 -9.581 376 1HD2 LEU 46 1HD2 LEU 46 2.984 -4.462 -7.327 377 2HD2 LEU 46 2HD2 LEU 46 1.390 -3.745 -7.077 378 3HD2 LEU 46 3HD2 LEU 46 1.722 -5.403 -6.521 379 H GLN 47 H GLN 47 3.079 -6.809 -11.760 380 HA GLN 47 HA GLN 47 3.673 -9.638 -11.960 381 1HB GLN 47 1HB GLN 47 3.328 -9.368 -14.375 382 2HB GLN 47 2HB GLN 47 2.012 -8.675 -13.430 383 1HG GLN 47 1HG GLN 47 2.615 -6.482 -13.914 384 2HG GLN 47 2HG GLN 47 4.291 -6.885 -14.315 385 1HE2 GLN 47 1HE2 GLN 47 4.300 -5.865 -16.380 386 2HE2 GLN 47 2HE2 GLN 47 3.247 -6.413 -17.661 387 H ALA 48 H ALA 48 5.978 -7.232 -11.560 388 HA ALA 48 HA ALA 48 7.896 -8.032 -13.558 389 1HB ALA 48 1HB ALA 48 9.533 -6.883 -12.198 390 2HB ALA 48 2HB ALA 48 8.062 -5.898 -12.240 391 3HB ALA 48 3HB ALA 48 8.458 -6.873 -10.799 392 H GLY 49 H GLY 49 6.803 -9.420 -10.480 393 1HA GLY 49 1HA GLY 49 8.021 -11.915 -11.024 394 2HA GLY 49 2HA GLY 49 9.043 -11.066 -9.855 395 H GLY 50 H GLY 50 8.034 -10.376 -7.784 396 1HA GLY 50 1HA GLY 50 5.427 -11.490 -7.049 397 2HA GLY 50 2HA GLY 50 6.830 -12.358 -6.393 398 H TYR 51 H TYR 51 4.952 -9.394 -6.336 399 HA TYR 51 HA TYR 51 6.576 -8.251 -4.139 400 1HB TYR 51 1HB TYR 51 4.233 -7.268 -5.801 401 2HB TYR 51 2HB TYR 51 4.623 -6.545 -4.249 402 HD1 TYR 51 1HD TYR 51 6.219 -4.868 -4.081 403 HD2 TYR 51 2HD TYR 51 6.296 -7.458 -7.534 404 HE1 TYR 51 1HE TYR 51 7.953 -3.442 -5.120 405 HE2 TYR 51 2HE TYR 51 8.129 -6.124 -8.496 406 HH TYR 51 HH TYR 51 9.648 -4.369 -8.125 407 H GLY 52 H GLY 52 5.548 -7.848 -2.129 408 1HA GLY 52 1HA GLY 52 3.460 -9.873 -1.392 409 2HA GLY 52 2HA GLY 52 4.768 -9.322 -0.339 410 H PHE 53 H PHE 53 4.848 -6.740 -0.188 411 HA PHE 53 HA PHE 53 2.093 -5.925 0.605 412 1HB PHE 53 1HB PHE 53 4.864 -5.081 1.344 413 2HB PHE 53 2HB PHE 53 3.631 -3.836 1.305 414 HD1 PHE 53 1HD PHE 53 2.112 -3.537 3.085 415 HD2 PHE 53 2HD PHE 53 4.406 -7.169 2.807 416 HE1 PHE 53 1HE PHE 53 1.501 -4.096 5.396 417 HE2 PHE 53 2HE PHE 53 3.748 -7.776 5.122 418 HZ PHE 53 HZ PHE 53 2.285 -6.249 6.424 419 H VAL 54 H VAL 54 0.991 -4.424 -0.518 420 HA VAL 54 HA VAL 54 2.342 -2.814 -2.596 421 HB VAL 54 HB VAL 54 -0.345 -4.260 -2.812 422 1HG1 VAL 54 1HG1 VAL 54 -0.306 -3.593 -5.201 423 2HG1 VAL 54 2HG1 VAL 54 -0.389 -2.172 -4.163 424 3HG1 VAL 54 3HG1 VAL 54 1.149 -2.637 -4.935 425 1HG2 VAL 54 1HG2 VAL 54 0.779 -5.566 -4.569 426 2HG2 VAL 54 2HG2 VAL 54 2.315 -4.761 -4.214 427 3HG2 VAL 54 3HG2 VAL 54 1.546 -5.827 -3.023 428 H ILE 55 H ILE 55 2.215 -0.778 -1.834 429 HA ILE 55 HA ILE 55 -0.043 0.007 -0.108 430 HB ILE 55 HB ILE 55 2.847 0.871 0.265 431 1HG1 ILE 55 1HG1 ILE 55 1.474 -1.484 1.604 432 2HG1 ILE 55 2HG1 ILE 55 2.949 -1.502 0.627 433 1HG2 ILE 55 1HG2 ILE 55 1.033 2.320 1.156 434 2HG2 ILE 55 2HG2 ILE 55 0.490 0.970 2.171 435 3HG2 ILE 55 3HG2 ILE 55 2.094 1.701 2.412 436 1HD1 ILE 55 1HD1 ILE 55 4.098 -0.142 2.391 437 2HD1 ILE 55 2HD1 ILE 55 2.648 -0.338 3.417 438 3HD1 ILE 55 3HD1 ILE 55 3.575 -1.751 2.917 439 H SER 56 H SER 56 -1.040 1.906 -0.982 440 HA SER 56 HA SER 56 0.643 3.684 -2.562 441 1HB SER 56 1HB SER 56 -0.630 3.368 -4.665 442 2HB SER 56 2HB SER 56 0.286 1.939 -4.209 443 HG SER 56 HG SER 56 -2.282 2.211 -4.673 444 H ASP 57 H ASP 57 -0.666 5.431 -3.655 445 HA ASP 57 HA ASP 57 -2.352 6.656 -1.631 446 1HB ASP 57 1HB ASP 57 -0.684 7.642 -3.600 447 2HB ASP 57 2HB ASP 57 -2.226 7.858 -4.374 448 H TRP 58 H TRP 58 -4.406 7.725 -2.387 449 HA TRP 58 HA TRP 58 -6.076 5.946 -4.106 450 1HB TRP 58 1HB TRP 58 -7.125 6.943 -2.055 451 2HB TRP 58 2HB TRP 58 -6.838 8.552 -2.719 452 HD1 TRP 58 HD TRP 58 -7.937 8.708 -5.433 453 HE1 TRP 58 1HE TRP 58 -10.089 7.841 -6.336 454 HE3 TRP 58 3HE TRP 58 -9.150 5.511 -1.640 455 HZ2 TRP 58 2HZ TRP 58 -12.378 6.263 -5.329 456 HZ3 TRP 58 3HZ TRP 58 -11.340 4.387 -1.580 457 HH2 TRP 58 HH TRP 58 -12.950 4.747 -3.495 458 H ASN 59 H ASN 59 -4.428 9.076 -3.799 459 HA ASN 59 HA ASN 59 -5.711 10.324 -5.985 460 1HB ASN 59 1HB ASN 59 -4.850 11.257 -3.727 461 2HB ASN 59 2HB ASN 59 -3.251 11.285 -4.457 462 1HD2 ASN 59 1HD2 ASN 59 -6.625 12.242 -5.127 463 2HD2 ASN 59 2HD2 ASN 59 -6.271 13.781 -5.886 464 H MET 60 H MET 60 -4.789 8.362 -7.485 465 HA MET 60 HA MET 60 -2.013 8.800 -8.353 466 1HB MET 60 1HB MET 60 -4.103 6.759 -8.662 467 2HB MET 60 2HB MET 60 -3.297 7.093 -10.182 468 1HG MET 60 1HG MET 60 -2.286 5.260 -8.964 469 2HG MET 60 2HG MET 60 -1.138 6.562 -9.204 470 1HE MET 60 1HE MET 60 0.184 7.344 -5.795 471 2HE MET 60 2HE MET 60 0.421 7.305 -7.549 472 3HE MET 60 3HE MET 60 -0.726 8.454 -6.809 473 HA PRO 61 HA PRO 61 -3.026 11.393 -11.830 474 1HB PRO 61 1HB PRO 61 -1.251 10.710 -13.767 475 2HB PRO 61 2HB PRO 61 -0.781 11.578 -12.272 476 1HG PRO 61 1HG PRO 61 -0.565 8.640 -12.879 477 2HG PRO 61 2HG PRO 61 0.661 9.709 -12.127 478 1HD PRO 61 1HD PRO 61 -1.003 8.080 -10.653 479 2HD PRO 61 2HD PRO 61 -0.408 9.623 -10.037 480 H ASN 62 H ASN 62 -2.707 7.800 -12.538 481 HA ASN 62 HA ASN 62 -4.765 8.200 -14.640 482 1HB ASN 62 1HB ASN 62 -2.364 7.508 -15.342 483 2HB ASN 62 2HB ASN 62 -2.743 5.947 -14.696 484 1HD2 ASN 62 1HD2 ASN 62 -3.716 8.369 -17.033 485 2HD2 ASN 62 2HD2 ASN 62 -4.712 7.358 -18.065 486 H MET 63 H MET 63 -3.377 5.554 -12.777 487 HA MET 63 HA MET 63 -6.082 4.272 -12.634 488 1HB MET 63 1HB MET 63 -4.348 2.889 -13.515 489 2HB MET 63 2HB MET 63 -3.346 3.135 -12.079 490 1HG MET 63 1HG MET 63 -5.042 1.973 -10.728 491 2HG MET 63 2HG MET 63 -6.075 1.783 -12.145 492 1HE MET 63 1HE MET 63 -4.542 0.751 -14.535 493 2HE MET 63 2HE MET 63 -4.448 -0.993 -14.226 494 3HE MET 63 3HE MET 63 -5.936 -0.108 -13.838 495 H ASP 64 H ASP 64 -6.831 5.894 -11.270 496 HA ASP 64 HA ASP 64 -6.209 6.694 -8.731 497 1HB ASP 64 1HB ASP 64 -8.543 6.482 -10.341 498 2HB ASP 64 2HB ASP 64 -8.971 5.817 -8.765 499 H GLY 65 H GLY 65 -6.213 5.771 -6.647 500 1HA GLY 65 1HA GLY 65 -5.212 3.207 -6.677 501 2HA GLY 65 2HA GLY 65 -5.666 4.058 -5.193 502 H LEU 66 H LEU 66 -8.567 3.981 -6.334 503 HA LEU 66 HA LEU 66 -9.340 1.445 -5.118 504 1HB LEU 66 1HB LEU 66 -10.637 3.752 -5.252 505 2HB LEU 66 2HB LEU 66 -11.201 3.158 -6.802 506 HG LEU 66 HG LEU 66 -12.815 2.796 -5.075 507 1HD1 LEU 66 1HD1 LEU 66 -13.412 0.569 -5.344 508 2HD1 LEU 66 2HD1 LEU 66 -12.481 0.945 -6.811 509 3HD1 LEU 66 3HD1 LEU 66 -11.725 0.021 -5.501 510 1HD2 LEU 66 1HD2 LEU 66 -10.791 1.058 -3.606 511 2HD2 LEU 66 2HD2 LEU 66 -11.281 2.683 -3.129 512 3HD2 LEU 66 3HD2 LEU 66 -12.466 1.378 -3.163 513 H GLU 67 H GLU 67 -8.814 2.697 -8.406 514 HA GLU 67 HA GLU 67 -9.865 0.361 -9.765 515 1HB GLU 67 1HB GLU 67 -7.879 2.397 -10.831 516 2HB GLU 67 2HB GLU 67 -8.916 1.328 -11.757 517 1HG GLU 67 1HG GLU 67 -9.872 3.673 -10.049 518 2HG GLU 67 2HG GLU 67 -9.593 3.709 -11.774 519 H LEU 68 H LEU 68 -6.626 1.556 -8.689 520 HA LEU 68 HA LEU 68 -5.167 -0.655 -9.752 521 1HB LEU 68 1HB LEU 68 -3.986 1.292 -8.813 522 2HB LEU 68 2HB LEU 68 -4.580 0.891 -7.201 523 HG LEU 68 HG LEU 68 -3.325 -1.277 -7.278 524 1HD1 LEU 68 1HD1 LEU 68 -2.252 -0.220 -9.922 525 2HD1 LEU 68 2HD1 LEU 68 -1.505 -1.542 -9.014 526 3HD1 LEU 68 3HD1 LEU 68 -3.130 -1.725 -9.668 527 1HD2 LEU 68 1HD2 LEU 68 -1.085 -0.294 -6.999 528 2HD2 LEU 68 2HD2 LEU 68 -1.685 1.234 -7.696 529 3HD2 LEU 68 3HD2 LEU 68 -2.359 0.612 -6.186 530 H LEU 69 H LEU 69 -6.644 -0.301 -6.511 531 HA LEU 69 HA LEU 69 -6.134 -2.923 -5.547 532 1HB LEU 69 1HB LEU 69 -6.933 -1.531 -3.939 533 2HB LEU 69 2HB LEU 69 -8.139 -0.784 -4.984 534 HG LEU 69 HG LEU 69 -9.695 -2.552 -4.720 535 1HD1 LEU 69 1HD1 LEU 69 -9.536 -4.538 -3.536 536 2HD1 LEU 69 2HD1 LEU 69 -7.955 -4.538 -4.298 537 3HD1 LEU 69 3HD1 LEU 69 -8.145 -4.046 -2.606 538 1HD2 LEU 69 1HD2 LEU 69 -8.336 -1.612 -2.184 539 2HD2 LEU 69 2HD2 LEU 69 -9.655 -0.802 -3.024 540 3HD2 LEU 69 3HD2 LEU 69 -9.954 -2.334 -2.178 541 H LYS 70 H LYS 70 -9.091 -1.713 -7.378 542 HA LYS 70 HA LYS 70 -10.185 -4.365 -7.378 543 1HB LYS 70 1HB LYS 70 -10.860 -1.885 -8.997 544 2HB LYS 70 2HB LYS 70 -11.705 -3.432 -9.185 545 1HG LYS 70 1HG LYS 70 -12.204 -3.468 -6.748 546 2HG LYS 70 2HG LYS 70 -11.503 -1.857 -6.590 547 1HD LYS 70 1HD LYS 70 -13.192 -0.897 -8.063 548 2HD LYS 70 2HD LYS 70 -13.697 -2.505 -8.595 549 1HE LYS 70 1HE LYS 70 -14.439 -3.015 -6.251 550 2HE LYS 70 2HE LYS 70 -14.160 -1.312 -5.840 551 1HZ LYS 70 1HZ LYS 70 -15.943 -2.209 -8.016 552 2HZ LYS 70 2HZ LYS 70 -16.474 -1.915 -6.510 553 3HZ LYS 70 3HZ LYS 70 -15.835 -0.688 -7.424 554 H THR 71 H THR 71 -7.924 -2.883 -9.645 555 HA THR 71 HA THR 71 -8.108 -4.921 -11.666 556 HB THR 71 HB THR 71 -5.734 -3.196 -10.853 557 HG1 THR 71 1HG THR 71 -7.434 -1.884 -11.392 558 1HG2 THR 71 1HG2 THR 71 -4.996 -3.505 -13.155 559 2HG2 THR 71 2HG2 THR 71 -5.169 -5.096 -12.390 560 3HG2 THR 71 3HG2 THR 71 -6.404 -4.511 -13.522 561 H ILE 72 H ILE 72 -5.998 -4.489 -8.741 562 HA ILE 72 HA ILE 72 -4.764 -7.061 -8.960 563 HB ILE 72 HB ILE 72 -5.149 -5.016 -6.715 564 1HG1 ILE 72 1HG1 ILE 72 -2.563 -6.027 -7.997 565 2HG1 ILE 72 2HG1 ILE 72 -3.470 -4.715 -8.721 566 1HG2 ILE 72 1HG2 ILE 72 -3.446 -6.394 -5.436 567 2HG2 ILE 72 2HG2 ILE 72 -5.003 -7.202 -5.578 568 3HG2 ILE 72 3HG2 ILE 72 -3.670 -7.685 -6.632 569 1HD1 ILE 72 1HD1 ILE 72 -1.870 -3.583 -7.342 570 2HD1 ILE 72 2HD1 ILE 72 -3.374 -3.477 -6.489 571 3HD1 ILE 72 3HD1 ILE 72 -2.149 -4.672 -5.987 572 H ARG 73 H ARG 73 -7.816 -5.996 -7.592 573 HA ARG 73 HA ARG 73 -8.377 -8.565 -6.357 574 1HB ARG 73 1HB ARG 73 -9.150 -5.974 -5.776 575 2HB ARG 73 2HB ARG 73 -10.624 -6.666 -6.399 576 1HG ARG 73 1HG ARG 73 -8.867 -7.810 -4.179 577 2HG ARG 73 2HG ARG 73 -10.334 -6.866 -3.946 578 1HD ARG 73 1HD ARG 73 -11.667 -8.644 -5.078 579 2HD ARG 73 2HD ARG 73 -10.200 -9.603 -5.278 580 HE ARG 73 HE ARG 73 -10.200 -10.163 -3.038 581 1HH1 ARG 73 2HH2 ARG 73 -12.641 -7.570 -3.485 582 2HH1 ARG 73 1HH2 ARG 73 -13.271 -7.759 -1.889 583 1HH2 ARG 73 2HH1 ARG 73 -10.981 -10.348 -1.020 584 2HH2 ARG 73 1HH1 ARG 73 -12.337 -9.422 -0.437 585 H ALA 74 H ALA 74 -8.294 -7.961 -9.562 586 HA ALA 74 HA ALA 74 -10.909 -8.554 -10.528 587 1HB ALA 74 1HB ALA 74 -9.794 -9.045 -12.616 588 2HB ALA 74 2HB ALA 74 -9.005 -7.641 -11.889 589 3HB ALA 74 3HB ALA 74 -8.222 -9.231 -11.802 590 H ASP 75 H ASP 75 -8.478 -10.510 -9.112 591 HA ASP 75 HA ASP 75 -8.425 -12.493 -8.193 592 1HB ASP 75 1HB ASP 75 -10.801 -12.224 -7.697 593 2HB ASP 75 2HB ASP 75 -11.190 -13.000 -9.248 594 H GLY 76 H GLY 76 -8.229 -14.799 -8.779 595 1HA GLY 76 1HA GLY 76 -7.207 -16.342 -10.107 596 2HA GLY 76 2HA GLY 76 -7.930 -15.570 -11.523 597 H ALA 77 H ALA 77 -6.140 -13.139 -9.899 598 HA ALA 77 HA ALA 77 -3.490 -14.029 -10.303 599 1HB ALA 77 1HB ALA 77 -3.812 -13.613 -12.701 600 2HB ALA 77 2HB ALA 77 -4.548 -12.030 -12.368 601 3HB ALA 77 3HB ALA 77 -2.828 -12.317 -12.018 602 H MET 78 H MET 78 -3.860 -13.383 -8.076 603 HA MET 78 HA MET 78 -2.661 -12.082 -6.616 604 1HB MET 78 1HB MET 78 -3.142 -9.520 -8.136 605 2HB MET 78 2HB MET 78 -2.047 -9.893 -6.820 606 1HG MET 78 1HG MET 78 -1.160 -11.781 -8.465 607 2HG MET 78 2HG MET 78 -1.808 -10.724 -9.698 608 1HE MET 78 1HE MET 78 1.193 -11.659 -9.547 609 2HE MET 78 2HE MET 78 0.643 -10.558 -10.826 610 3HE MET 78 3HE MET 78 2.098 -10.165 -9.879 611 H SER 79 H SER 79 -5.792 -12.499 -6.814 612 HA SER 79 HA SER 79 -6.991 -10.381 -5.417 613 1HB SER 79 1HB SER 79 -8.456 -12.444 -4.585 614 2HB SER 79 2HB SER 79 -8.506 -11.866 -6.244 615 HG SER 79 HG SER 79 -8.222 -14.081 -6.347 616 H ALA 80 H ALA 80 -4.650 -12.611 -4.263 617 HA ALA 80 HA ALA 80 -5.224 -12.228 -1.407 618 1HB ALA 80 1HB ALA 80 -4.472 -14.429 -2.326 619 2HB ALA 80 2HB ALA 80 -2.944 -13.666 -2.832 620 3HB ALA 80 3HB ALA 80 -3.352 -13.788 -1.116 621 H LEU 81 H LEU 81 -3.842 -10.116 -3.617 622 HA LEU 81 HA LEU 81 -1.437 -9.490 -2.128 623 1HB LEU 81 1HB LEU 81 -2.877 -8.332 -4.446 624 2HB LEU 81 2HB LEU 81 -1.919 -7.210 -3.500 625 HG LEU 81 HG LEU 81 -0.861 -9.724 -4.862 626 1HD1 LEU 81 1HD1 LEU 81 -1.369 -7.947 -6.469 627 2HD1 LEU 81 2HD1 LEU 81 -0.666 -6.734 -5.451 628 3HD1 LEU 81 3HD1 LEU 81 0.377 -7.957 -6.220 629 1HD2 LEU 81 1HD2 LEU 81 0.449 -7.697 -3.024 630 2HD2 LEU 81 2HD2 LEU 81 0.542 -9.458 -2.956 631 3HD2 LEU 81 3HD2 LEU 81 1.394 -8.591 -4.229 632 HA PRO 82 HA PRO 82 -3.813 -7.155 0.964 633 1HB PRO 82 1HB PRO 82 -1.859 -6.649 2.708 634 2HB PRO 82 2HB PRO 82 -2.338 -8.321 2.327 635 1HG PRO 82 1HG PRO 82 -0.037 -6.787 1.094 636 2HG PRO 82 2HG PRO 82 0.009 -8.396 1.894 637 1HD PRO 82 1HD PRO 82 -0.286 -8.145 -0.807 638 2HD PRO 82 2HD PRO 82 -1.075 -9.447 0.135 639 H VAL 83 H VAL 83 -3.936 -5.638 -1.100 640 HA VAL 83 HA VAL 83 -2.312 -3.325 -1.429 641 HB VAL 83 HB VAL 83 -4.543 -2.431 -2.459 642 1HG1 VAL 83 1HG1 VAL 83 -4.170 -3.752 -4.492 643 2HG1 VAL 83 2HG1 VAL 83 -2.671 -3.112 -3.821 644 3HG1 VAL 83 3HG1 VAL 83 -3.078 -4.836 -3.605 645 1HG2 VAL 83 1HG2 VAL 83 -5.240 -5.407 -2.338 646 2HG2 VAL 83 2HG2 VAL 83 -6.069 -4.104 -1.442 647 3HG2 VAL 83 3HG2 VAL 83 -6.048 -4.121 -3.221 648 H LEU 84 H LEU 84 -1.950 -1.768 0.004 649 HA LEU 84 HA LEU 84 -4.043 -1.096 2.023 650 1HB LEU 84 1HB LEU 84 -2.085 -2.169 3.003 651 2HB LEU 84 2HB LEU 84 -1.011 -1.025 2.187 652 HG LEU 84 HG LEU 84 -1.876 0.837 3.526 653 1HD1 LEU 84 1HD1 LEU 84 -3.422 0.419 5.437 654 2HD1 LEU 84 2HD1 LEU 84 -4.188 0.244 3.869 655 3HD1 LEU 84 3HD1 LEU 84 -3.739 -1.213 4.792 656 1HD2 LEU 84 1HD2 LEU 84 -0.017 -0.523 4.412 657 2HD2 LEU 84 2HD2 LEU 84 -1.006 0.145 5.716 658 3HD2 LEU 84 3HD2 LEU 84 -1.174 -1.568 5.266 659 H MET 85 H MET 85 -4.989 0.825 1.719 660 HA MET 85 HA MET 85 -3.846 2.755 -0.176 661 1HB MET 85 1HB MET 85 -6.310 2.770 1.577 662 2HB MET 85 2HB MET 85 -5.896 4.064 0.470 663 1HG MET 85 1HG MET 85 -6.088 1.316 -0.733 664 2HG MET 85 2HG MET 85 -7.567 1.979 -0.060 665 1HE MET 85 1HE MET 85 -8.004 1.436 -3.002 666 2HE MET 85 2HE MET 85 -9.052 2.298 -1.847 667 3HE MET 85 3HE MET 85 -8.713 3.018 -3.425 668 H VAL 86 H VAL 86 -2.593 4.456 0.476 669 HA VAL 86 HA VAL 86 -2.678 5.459 3.255 670 HB VAL 86 HB VAL 86 -0.143 4.767 1.685 671 1HG1 VAL 86 1HG1 VAL 86 1.042 5.446 3.756 672 2HG1 VAL 86 2HG1 VAL 86 0.171 6.791 3.018 673 3HG1 VAL 86 3HG1 VAL 86 -0.495 5.987 4.460 674 1HG2 VAL 86 1HG2 VAL 86 -1.062 2.733 2.607 675 2HG2 VAL 86 2HG2 VAL 86 0.346 3.206 3.566 676 3HG2 VAL 86 3HG2 VAL 86 -1.283 3.474 4.201 677 H THR 87 H THR 87 -3.565 7.455 2.848 678 HA THR 87 HA THR 87 -2.368 9.078 0.676 679 HB THR 87 HB THR 87 -4.220 7.873 -0.285 680 HG1 THR 87 1HG THR 87 -4.141 9.757 -1.172 681 1HG2 THR 87 1HG2 THR 87 -5.992 9.058 1.879 682 2HG2 THR 87 2HG2 THR 87 -6.531 8.214 0.410 683 3HG2 THR 87 3HG2 THR 87 -5.613 7.336 1.639 684 H ALA 88 H ALA 88 -3.654 11.280 0.768 685 HA ALA 88 HA ALA 88 -3.410 12.355 3.537 686 1HB ALA 88 1HB ALA 88 -3.427 14.564 2.423 687 2HB ALA 88 2HB ALA 88 -2.133 13.543 1.768 688 3HB ALA 88 3HB ALA 88 -3.636 13.785 0.846 689 H GLU 89 H GLU 89 -5.793 11.521 1.037 690 HA GLU 89 HA GLU 89 -7.724 13.455 2.095 691 1HB GLU 89 1HB GLU 89 -7.876 11.558 -0.274 692 2HB GLU 89 2HB GLU 89 -9.087 12.777 0.179 693 1HG GLU 89 1HG GLU 89 -7.187 14.501 0.093 694 2HG GLU 89 2HG GLU 89 -6.211 13.253 -0.696 695 H ALA 90 H ALA 90 -9.522 12.999 3.278 696 HA ALA 90 HA ALA 90 -9.928 10.226 4.245 697 1HB ALA 90 1HB ALA 90 -11.298 12.838 4.983 698 2HB ALA 90 2HB ALA 90 -11.658 11.239 5.691 699 3HB ALA 90 3HB ALA 90 -10.065 11.968 5.902 700 H LYS 91 H LYS 91 -12.655 12.295 3.615 701 HA LYS 91 HA LYS 91 -14.528 12.082 2.508 702 1HB LYS 91 1HB LYS 91 -13.168 12.424 0.463 703 2HB LYS 91 2HB LYS 91 -12.952 10.690 0.337 704 1HG LYS 91 1HG LYS 91 -14.618 11.014 -1.181 705 2HG LYS 91 2HG LYS 91 -15.570 10.562 0.211 706 1HD LYS 91 1HD LYS 91 -15.071 13.404 -0.801 707 2HD LYS 91 2HD LYS 91 -16.525 12.441 -1.078 708 1HE LYS 91 1HE LYS 91 -16.868 12.357 1.440 709 2HE LYS 91 2HE LYS 91 -15.506 13.484 1.588 710 1HZ LYS 91 1HZ LYS 91 -16.779 15.012 0.166 711 2HZ LYS 91 2HZ LYS 91 -18.098 14.031 0.296 712 3HZ LYS 91 3HZ LYS 91 -17.438 14.731 1.640 713 H LYS 92 H LYS 92 -16.034 10.937 3.462 714 HA LYS 92 HA LYS 92 -15.722 8.327 4.407 715 1HB LYS 92 1HB LYS 92 -18.230 9.886 3.670 716 2HB LYS 92 2HB LYS 92 -18.295 8.266 4.382 717 1HG LYS 92 1HG LYS 92 -17.005 9.010 6.340 718 2HG LYS 92 2HG LYS 92 -16.926 10.658 5.705 719 1HD LYS 92 1HD LYS 92 -19.504 9.155 6.328 720 2HD LYS 92 2HD LYS 92 -18.711 10.295 7.431 721 1HE LYS 92 1HE LYS 92 -19.029 12.137 5.889 722 2HE LYS 92 2HE LYS 92 -19.631 11.047 4.630 723 1HZ LYS 92 1HZ LYS 92 -20.985 11.515 7.210 724 2HZ LYS 92 2HZ LYS 92 -21.428 12.142 5.743 725 3HZ LYS 92 3HZ LYS 92 -21.513 10.536 5.971 726 H GLU 93 H GLU 93 -17.281 9.239 1.193 727 HA GLU 93 HA GLU 93 -17.793 6.524 0.635 728 1HB GLU 93 1HB GLU 93 -17.647 9.007 -1.027 729 2HB GLU 93 2HB GLU 93 -17.446 7.476 -1.889 730 1HG GLU 93 1HG GLU 93 -19.477 6.548 -0.841 731 2HG GLU 93 2HG GLU 93 -19.743 8.070 0.013 732 H ASN 94 H ASN 94 -14.701 8.217 0.348 733 HA ASN 94 HA ASN 94 -13.408 6.147 -1.206 734 1HB ASN 94 1HB ASN 94 -12.148 7.978 0.869 735 2HB ASN 94 2HB ASN 94 -11.295 6.902 -0.205 736 1HD2 ASN 94 1HD2 ASN 94 -10.217 9.067 -0.530 737 2HD2 ASN 94 2HD2 ASN 94 -10.859 10.138 -1.773 738 H ILE 95 H ILE 95 -13.779 6.803 2.329 739 HA ILE 95 HA ILE 95 -12.424 4.442 3.201 740 HB ILE 95 HB ILE 95 -14.647 6.038 4.556 741 1HG1 ILE 95 1HG1 ILE 95 -12.759 6.248 6.309 742 2HG1 ILE 95 2HG1 ILE 95 -11.685 5.591 5.091 743 1HG2 ILE 95 1HG2 ILE 95 -13.288 3.497 5.558 744 2HG2 ILE 95 2HG2 ILE 95 -14.231 4.594 6.589 745 3HG2 ILE 95 3HG2 ILE 95 -15.027 3.730 5.286 746 1HD1 ILE 95 1HD1 ILE 95 -12.169 7.566 3.645 747 2HD1 ILE 95 2HD1 ILE 95 -13.345 8.153 4.845 748 3HD1 ILE 95 3HD1 ILE 95 -11.624 8.083 5.246 749 H ILE 96 H ILE 96 -15.919 4.877 2.453 750 HA ILE 96 HA ILE 96 -16.690 2.179 2.920 751 HB ILE 96 HB ILE 96 -17.894 4.334 1.134 752 1HG1 ILE 96 1HG1 ILE 96 -19.906 3.740 2.739 753 2HG1 ILE 96 2HG1 ILE 96 -18.682 2.994 3.760 754 1HG2 ILE 96 1HG2 ILE 96 -18.390 2.245 -0.035 755 2HG2 ILE 96 2HG2 ILE 96 -18.943 1.497 1.489 756 3HG2 ILE 96 3HG2 ILE 96 -19.830 2.839 0.747 757 1HD1 ILE 96 1HD1 ILE 96 -17.627 5.162 4.082 758 2HD1 ILE 96 2HD1 ILE 96 -18.665 5.892 2.808 759 3HD1 ILE 96 3HD1 ILE 96 -19.374 5.350 4.323 760 H ALA 97 H ALA 97 -15.720 3.755 -0.198 761 HA ALA 97 HA ALA 97 -16.040 1.490 -1.807 762 1HB ALA 97 1HB ALA 97 -14.472 2.677 -3.356 763 2HB ALA 97 2HB ALA 97 -15.717 3.757 -2.717 764 3HB ALA 97 3HB ALA 97 -14.082 3.800 -2.033 765 H ALA 98 H ALA 98 -13.103 2.651 -0.087 766 HA ALA 98 HA ALA 98 -11.367 0.619 -1.053 767 1HB ALA 98 1HB ALA 98 -11.270 2.247 1.524 768 2HB ALA 98 2HB ALA 98 -9.917 1.306 0.832 769 3HB ALA 98 3HB ALA 98 -10.576 2.703 -0.039 770 H ALA 99 H ALA 99 -13.432 0.736 1.949 771 HA ALA 99 HA ALA 99 -12.625 -1.901 2.771 772 1HB ALA 99 1HB ALA 99 -15.158 -0.321 3.410 773 2HB ALA 99 2HB ALA 99 -14.564 -1.752 4.284 774 3HB ALA 99 3HB ALA 99 -13.619 -0.248 4.299 775 H GLN 100 H GLN 100 -15.296 -0.761 0.695 776 HA GLN 100 HA GLN 100 -16.754 -3.172 0.433 777 1HB GLN 100 1HB GLN 100 -16.341 -0.792 -1.422 778 2HB GLN 100 2HB GLN 100 -17.397 -2.114 -1.842 779 1HG GLN 100 1HG GLN 100 -17.820 -0.705 0.799 780 2HG GLN 100 2HG GLN 100 -18.299 0.074 -0.711 781 1HE2 GLN 100 1HE2 GLN 100 -19.159 -2.460 1.591 782 2HE2 GLN 100 2HE2 GLN 100 -20.652 -2.849 0.767 783 H ALA 101 H ALA 101 -14.247 -1.749 -1.699 784 HA ALA 101 HA ALA 101 -13.970 -3.972 -3.448 785 1HB ALA 101 1HB ALA 101 -12.062 -1.707 -2.732 786 2HB ALA 101 2HB ALA 101 -11.927 -2.772 -4.155 787 3HB ALA 101 3HB ALA 101 -13.301 -1.657 -3.989 788 H GLY 102 H GLY 102 -12.965 -3.652 -0.166 789 1HA GLY 102 1HA GLY 102 -12.162 -5.390 1.110 790 2HA GLY 102 2HA GLY 102 -11.713 -6.276 -0.352 791 H ALA 103 H ALA 103 -10.662 -2.922 0.229 792 HA ALA 103 HA ALA 103 -7.933 -3.575 -0.246 793 1HB ALA 103 1HB ALA 103 -9.235 -1.198 -0.275 794 2HB ALA 103 2HB ALA 103 -8.651 -1.105 1.369 795 3HB ALA 103 3HB ALA 103 -7.494 -1.299 0.030 796 H SER 104 H SER 104 -6.172 -3.573 1.404 797 HA SER 104 HA SER 104 -6.617 -4.949 3.837 798 1HB SER 104 1HB SER 104 -4.378 -3.158 2.808 799 2HB SER 104 2HB SER 104 -4.254 -4.112 4.288 800 HG SER 104 HG SER 104 -3.493 -5.063 2.291 801 H GLY 105 H GLY 105 -6.559 -1.419 3.107 802 1HA GLY 105 1HA GLY 105 -8.211 -0.730 5.190 803 2HA GLY 105 2HA GLY 105 -6.548 -0.548 5.820 804 H TYR 106 H TYR 106 -7.790 1.670 5.818 805 HA TYR 106 HA TYR 106 -6.809 3.238 3.505 806 1HB TYR 106 1HB TYR 106 -9.315 2.786 3.493 807 2HB TYR 106 2HB TYR 106 -9.425 3.725 4.978 808 HD1 TYR 106 1HD TYR 106 -9.573 6.133 4.822 809 HD2 TYR 106 2HD TYR 106 -8.259 3.845 1.417 810 HE1 TYR 106 1HE TYR 106 -9.745 8.149 3.377 811 HE2 TYR 106 2HE TYR 106 -8.160 5.919 0.073 812 HH TYR 106 HH TYR 106 -8.867 9.060 1.401 813 H VAL 107 H VAL 107 -4.962 3.917 4.497 814 HA VAL 107 HA VAL 107 -5.084 5.239 7.149 815 HB VAL 107 HB VAL 107 -2.851 4.596 5.190 816 1HG1 VAL 107 1HG1 VAL 107 -1.303 5.515 6.939 817 2HG1 VAL 107 2HG1 VAL 107 -2.275 6.737 6.123 818 3HG1 VAL 107 3HG1 VAL 107 -2.730 6.213 7.757 819 1HG2 VAL 107 1HG2 VAL 107 -3.591 2.701 6.568 820 2HG2 VAL 107 2HG2 VAL 107 -1.977 3.233 7.046 821 3HG2 VAL 107 3HG2 VAL 107 -3.375 3.683 8.047 822 H VAL 108 H VAL 108 -5.119 7.442 7.315 823 HA VAL 108 HA VAL 108 -4.955 9.079 4.870 824 HB VAL 108 HB VAL 108 -6.936 9.473 7.147 825 1HG1 VAL 108 1HG1 VAL 108 -6.596 10.879 4.469 826 2HG1 VAL 108 2HG1 VAL 108 -7.901 11.185 5.635 827 3HG1 VAL 108 3HG1 VAL 108 -6.238 11.580 6.054 828 1HG2 VAL 108 1HG2 VAL 108 -7.622 7.524 5.768 829 2HG2 VAL 108 2HG2 VAL 108 -8.683 8.912 5.485 830 3HG2 VAL 108 3HG2 VAL 108 -7.417 8.500 4.304 831 H LYS 109 H LYS 109 -3.691 10.941 5.251 832 HA LYS 109 HA LYS 109 -2.008 11.020 7.519 833 1HB LYS 109 1HB LYS 109 -1.020 12.878 6.598 834 2HB LYS 109 2HB LYS 109 -1.745 12.131 5.209 835 1HG LYS 109 1HG LYS 109 -2.563 14.175 4.743 836 2HG LYS 109 2HG LYS 109 -3.784 13.879 5.970 837 1HD LYS 109 1HD LYS 109 -2.277 14.981 7.668 838 2HD LYS 109 2HD LYS 109 -1.054 15.183 6.397 839 1HE LYS 109 1HE LYS 109 -2.780 16.517 5.088 840 2HE LYS 109 2HE LYS 109 -3.796 16.484 6.538 841 1HZ LYS 109 1HZ LYS 109 -1.908 17.555 7.721 842 2HZ LYS 109 2HZ LYS 109 -1.096 17.669 6.278 843 3HZ LYS 109 3HZ LYS 109 -2.509 18.470 6.487 844 HA PRO 110 HA PRO 110 -0.857 12.654 8.828 845 1HB PRO 110 1HB PRO 110 -0.454 13.040 11.483 846 2HB PRO 110 2HB PRO 110 -0.870 14.397 10.388 847 1HG PRO 110 1HG PRO 110 -2.735 12.850 12.200 848 2HG PRO 110 2HG PRO 110 -2.588 14.625 12.000 849 1HD PRO 110 1HD PRO 110 -4.459 13.116 10.670 850 2HD PRO 110 2HD PRO 110 -3.728 14.574 9.938 851 H PHE 111 H PHE 111 0.339 10.758 9.130 852 HA PHE 111 HA PHE 111 -0.732 8.699 10.950 853 1HB PHE 111 1HB PHE 111 -0.611 6.971 9.303 854 2HB PHE 111 2HB PHE 111 -1.742 8.188 8.754 855 HD1 PHE 111 1HD PHE 111 1.676 6.745 8.283 856 HD2 PHE 111 2HD PHE 111 -1.403 9.253 6.607 857 HE1 PHE 111 1HE PHE 111 2.903 6.852 6.138 858 HE2 PHE 111 2HE PHE 111 -0.170 9.376 4.492 859 HZ PHE 111 HZ PHE 111 2.019 8.182 4.260 860 H THR 112 H THR 112 0.818 7.119 11.516 861 HA THR 112 HA THR 112 3.614 7.524 10.847 862 HB THR 112 HB THR 112 3.956 7.652 13.460 863 HG1 THR 112 1HG THR 112 2.464 8.622 14.570 864 1HG2 THR 112 1HG2 THR 112 4.738 9.257 11.821 865 2HG2 THR 112 2HG2 THR 112 3.198 10.122 11.934 866 3HG2 THR 112 3HG2 THR 112 4.255 9.974 13.365 867 H ALA 113 H ALA 113 4.776 6.082 12.833 868 HA ALA 113 HA ALA 113 4.420 3.444 12.023 869 1HB ALA 113 1HB ALA 113 5.680 4.534 14.564 870 2HB ALA 113 2HB ALA 113 5.893 2.907 13.898 871 3HB ALA 113 3HB ALA 113 6.489 4.305 12.994 872 H ALA 114 H ALA 114 2.783 5.344 14.496 873 HA ALA 114 HA ALA 114 1.614 3.261 15.994 874 1HB ALA 114 1HB ALA 114 1.525 5.646 16.675 875 2HB ALA 114 2HB ALA 114 0.445 6.008 15.311 876 3HB ALA 114 3HB ALA 114 -0.101 4.951 16.626 877 H THR 115 H THR 115 0.488 4.601 12.832 878 HA THR 115 HA THR 115 -1.809 2.729 12.985 879 HB THR 115 HB THR 115 -1.872 5.158 11.962 880 HG1 THR 115 1HG THR 115 -3.594 3.799 12.083 881 1HG2 THR 115 1HG2 THR 115 -1.141 3.519 9.496 882 2HG2 THR 115 2HG2 THR 115 -1.793 5.156 9.536 883 3HG2 THR 115 3HG2 THR 115 -0.171 4.837 10.192 884 H LEU 116 H LEU 116 1.370 3.143 11.457 885 HA LEU 116 HA LEU 116 1.241 1.216 9.451 886 1HB LEU 116 1HB LEU 116 3.095 2.907 10.064 887 2HB LEU 116 2HB LEU 116 3.652 1.701 11.213 888 HG LEU 116 HG LEU 116 5.043 1.675 9.320 889 1HD1 LEU 116 1HD1 LEU 116 4.389 -0.533 10.400 890 2HD1 LEU 116 2HD1 LEU 116 3.370 -0.790 8.963 891 3HD1 LEU 116 3HD1 LEU 116 5.119 -0.604 8.797 892 1HD2 LEU 116 1HD2 LEU 116 3.586 2.605 7.583 893 2HD2 LEU 116 2HD2 LEU 116 4.350 1.111 7.042 894 3HD2 LEU 116 3HD2 LEU 116 2.651 1.092 7.527 895 H GLU 117 H GLU 117 2.332 0.727 12.876 896 HA GLU 117 HA GLU 117 2.619 -2.085 12.689 897 1HB GLU 117 1HB GLU 117 2.870 -2.019 15.079 898 2HB GLU 117 2HB GLU 117 3.700 -0.672 14.332 899 1HG GLU 117 1HG GLU 117 2.793 0.629 15.874 900 2HG GLU 117 2HG GLU 117 1.292 0.520 14.971 901 H GLU 118 H GLU 118 -0.181 -0.102 13.733 902 HA GLU 118 HA GLU 118 -1.693 -2.309 14.688 903 1HB GLU 118 1HB GLU 118 -2.033 0.101 15.263 904 2HB GLU 118 2HB GLU 118 -2.642 0.388 13.623 905 1HG GLU 118 1HG GLU 118 -4.461 -1.281 14.059 906 2HG GLU 118 2HG GLU 118 -3.840 -1.509 15.700 907 H LYS 119 H LYS 119 -1.613 -0.650 11.520 908 HA LYS 119 HA LYS 119 -3.648 -2.287 10.255 909 1HB LYS 119 1HB LYS 119 -1.398 -0.625 9.085 910 2HB LYS 119 2HB LYS 119 -2.680 -1.374 8.141 911 1HG LYS 119 1HG LYS 119 -3.124 0.791 10.250 912 2HG LYS 119 2HG LYS 119 -2.933 1.064 8.521 913 1HD LYS 119 1HD LYS 119 -4.975 -0.463 8.203 914 2HD LYS 119 2HD LYS 119 -5.221 -0.329 9.948 915 1HE LYS 119 1HE LYS 119 -5.125 1.968 7.932 916 2HE LYS 119 2HE LYS 119 -6.576 1.308 8.683 917 1HZ LYS 119 1HZ LYS 119 -5.739 2.086 10.825 918 2HZ LYS 119 2HZ LYS 119 -4.417 2.757 10.132 919 3HZ LYS 119 3HZ LYS 119 -5.917 3.320 9.763 920 H LEU 120 H LEU 120 -0.073 -2.522 10.587 921 HA LEU 120 HA LEU 120 0.337 -4.772 8.884 922 1HB LEU 120 1HB LEU 120 1.779 -3.914 11.430 923 2HB LEU 120 2HB LEU 120 2.161 -5.403 10.613 924 HG LEU 120 HG LEU 120 2.481 -2.658 9.421 925 1HD1 LEU 120 1HD1 LEU 120 4.908 -3.123 9.651 926 2HD1 LEU 120 2HD1 LEU 120 4.105 -3.128 11.222 927 3HD1 LEU 120 3HD1 LEU 120 4.533 -4.663 10.451 928 1HD2 LEU 120 1HD2 LEU 120 2.026 -4.229 7.656 929 2HD2 LEU 120 2HD2 LEU 120 3.731 -3.765 7.622 930 3HD2 LEU 120 3HD2 LEU 120 3.255 -5.341 8.294 931 H ASN 121 H ASN 121 -0.191 -4.730 12.481 932 HA ASN 121 HA ASN 121 -0.366 -7.533 12.615 933 1HB ASN 121 1HB ASN 121 -0.060 -6.110 14.589 934 2HB ASN 121 2HB ASN 121 -1.747 -5.571 14.466 935 1HD2 ASN 121 1HD2 ASN 121 -3.085 -6.770 15.910 936 2HD2 ASN 121 2HD2 ASN 121 -2.947 -8.516 16.085 937 H LYS 122 H LYS 122 -2.918 -5.164 11.959 938 HA LYS 122 HA LYS 122 -5.192 -6.819 11.871 939 1HB LYS 122 1HB LYS 122 -4.465 -4.223 10.981 940 2HB LYS 122 2HB LYS 122 -5.110 -5.005 9.562 941 1HG LYS 122 1HG LYS 122 -7.225 -5.352 10.542 942 2HG LYS 122 2HG LYS 122 -6.632 -5.077 12.190 943 1HD LYS 122 1HD LYS 122 -6.577 -2.919 10.037 944 2HD LYS 122 2HD LYS 122 -7.959 -3.144 11.104 945 1HE LYS 122 1HE LYS 122 -5.133 -2.709 12.164 946 2HE LYS 122 2HE LYS 122 -6.227 -1.373 11.800 947 1HZ LYS 122 1HZ LYS 122 -7.751 -2.161 13.437 948 2HZ LYS 122 2HZ LYS 122 -6.904 -3.544 13.708 949 3HZ LYS 122 3HZ LYS 122 -6.305 -2.121 14.166 950 H ILE 123 H ILE 123 -3.091 -6.125 8.960 951 HA ILE 123 HA ILE 123 -4.407 -8.339 7.650 952 HB ILE 123 HB ILE 123 -2.760 -7.936 5.792 953 1HG1 ILE 123 1HG1 ILE 123 -1.627 -5.949 7.745 954 2HG1 ILE 123 2HG1 ILE 123 -0.823 -7.025 6.636 955 1HG2 ILE 123 1HG2 ILE 123 -3.979 -6.103 5.015 956 2HG2 ILE 123 2HG2 ILE 123 -5.078 -6.988 6.046 957 3HG2 ILE 123 3HG2 ILE 123 -4.334 -5.490 6.656 958 1HD1 ILE 123 1HD1 ILE 123 -1.578 -5.504 4.750 959 2HD1 ILE 123 2HD1 ILE 123 -2.274 -4.416 5.975 960 3HD1 ILE 123 3HD1 ILE 123 -0.539 -4.715 5.955 961 H PHE 124 H PHE 124 -1.494 -8.208 9.558 962 HA PHE 124 HA PHE 124 -0.265 -10.609 8.715 963 1HB PHE 124 1HB PHE 124 -0.515 -9.297 11.419 964 2HB PHE 124 2HB PHE 124 0.441 -10.723 11.157 965 HD1 PHE 124 1HD PHE 124 1.177 -9.059 8.189 966 HD2 PHE 124 2HD PHE 124 1.766 -8.686 12.453 967 HE1 PHE 124 1HE PHE 124 3.317 -7.930 7.796 968 HE2 PHE 124 2HE PHE 124 3.884 -7.465 12.032 969 HZ PHE 124 HZ PHE 124 4.688 -7.125 9.741 970 H GLU 125 H GLU 125 -2.547 -10.170 11.495 971 HA GLU 125 HA GLU 125 -2.862 -13.048 11.693 972 1HB GLU 125 1HB GLU 125 -4.637 -10.903 12.886 973 2HB GLU 125 2HB GLU 125 -4.537 -12.595 13.367 974 1HG GLU 125 1HG GLU 125 -2.118 -12.253 13.967 975 2HG GLU 125 2HG GLU 125 -2.328 -10.527 13.666 976 H LYS 126 H LYS 126 -5.030 -10.401 10.495 977 HA LYS 126 HA LYS 126 -7.238 -12.028 10.164 978 1HB LYS 126 1HB LYS 126 -7.110 -9.519 10.251 979 2HB LYS 126 2HB LYS 126 -6.560 -9.523 8.561 980 1HG LYS 126 1HG LYS 126 -8.725 -10.698 7.957 981 2HG LYS 126 2HG LYS 126 -9.199 -10.548 9.660 982 1HD LYS 126 1HD LYS 126 -10.194 -8.712 8.753 983 2HD LYS 126 2HD LYS 126 -8.688 -7.987 9.320 984 1HE LYS 126 1HE LYS 126 -8.001 -7.491 7.193 985 2HE LYS 126 2HE LYS 126 -8.491 -9.083 6.585 986 1HZ LYS 126 1HZ LYS 126 -10.731 -8.321 6.412 987 2HZ LYS 126 2HZ LYS 126 -10.326 -6.815 6.979 988 3HZ LYS 126 3HZ LYS 126 -9.740 -7.377 5.536 989 H LEU 127 H LEU 127 -5.004 -10.955 7.523 990 HA LEU 127 HA LEU 127 -6.229 -12.797 5.645 991 1HB LEU 127 1HB LEU 127 -3.583 -11.440 5.164 992 2HB LEU 127 2HB LEU 127 -4.855 -11.867 4.030 993 HG LEU 127 HG LEU 127 -4.798 -9.541 5.977 994 1HD1 LEU 127 1HD1 LEU 127 -3.458 -9.329 3.916 995 2HD1 LEU 127 2HD1 LEU 127 -4.922 -9.598 2.955 996 3HD1 LEU 127 3HD1 LEU 127 -4.790 -8.159 3.961 997 1HD2 LEU 127 1HD2 LEU 127 -6.923 -8.829 5.070 998 2HD2 LEU 127 2HD2 LEU 127 -7.041 -10.350 4.131 999 3HD2 LEU 127 3HD2 LEU 127 -7.091 -10.387 5.897 1000 H GLY 128 H GLY 128 -3.127 -12.492 7.419 1001 1HA GLY 128 1HA GLY 128 -2.039 -14.644 8.136 1002 2HA GLY 128 2HA GLY 128 -2.267 -15.180 6.472 1003 H MET 129 H MET 129 -1.392 -11.745 7.066 1004 HA MET 129 HA MET 129 0.909 -12.286 5.296 1005 1HB MET 129 2HB MET 129 -0.441 -9.735 6.207 1006 2HB MET 129 3HB MET 129 1.058 -9.745 5.291 1007 1HG MET 129 2HG MET 129 -1.571 -10.960 4.404 1008 2HG MET 129 3HG MET 129 -0.871 -9.476 3.809 1009 1HE MET 129 1HE MET 129 1.775 -9.591 2.634 1010 2HE MET 129 2HE MET 129 2.374 -10.883 3.706 1011 3HE MET 129 3HE MET 129 2.395 -11.106 1.946 Start of MODEL 5 1 1H MET 1 H MET 1 20.323 -20.299 -1.664 2 2H MET 1 2HN MET 1 20.857 -18.934 -0.943 3 3H MET 1 3HN MET 1 20.830 -20.336 -0.083 4 HA MET 1 HA MET 1 18.423 -19.111 -1.200 5 1HB MET 1 2HB MET 1 18.890 -21.215 0.931 6 2HB MET 1 3HB MET 1 17.354 -20.377 0.754 7 1HG MET 1 2HG MET 1 18.510 -21.684 -1.706 8 2HG MET 1 3HG MET 1 17.867 -22.701 -0.426 9 1HE MET 1 1HE MET 1 16.419 -19.177 -1.791 10 2HE MET 1 2HE MET 1 16.910 -20.096 -3.239 11 3HE MET 1 3HE MET 1 15.191 -19.831 -2.888 12 H ALA 2 H ALA 2 18.367 -17.027 -0.678 13 HA ALA 2 HA ALA 2 19.339 -15.967 1.869 14 1HB ALA 2 1HB ALA 2 19.543 -14.717 -0.305 15 2HB ALA 2 2HB ALA 2 17.768 -14.624 -0.381 16 3HB ALA 2 3HB ALA 2 18.650 -13.827 0.934 17 H ASP 3 H ASP 3 17.261 -14.156 2.373 18 HA ASP 3 HA ASP 3 15.139 -15.647 3.672 19 1HB ASP 3 1HB ASP 3 15.119 -12.738 2.781 20 2HB ASP 3 2HB ASP 3 14.113 -13.484 4.021 21 H LYS 4 H LYS 4 12.708 -15.017 2.950 22 HA LYS 4 HA LYS 4 12.324 -15.842 0.235 23 1HB LYS 4 1HB LYS 4 10.686 -16.253 1.971 24 2HB LYS 4 2HB LYS 4 10.420 -14.517 2.208 25 1HG LYS 4 1HG LYS 4 9.333 -14.268 0.135 26 2HG LYS 4 2HG LYS 4 10.022 -15.782 -0.500 27 1HD LYS 4 1HD LYS 4 8.600 -17.122 0.856 28 2HD LYS 4 2HD LYS 4 7.990 -15.722 1.749 29 1HE LYS 4 1HE LYS 4 6.425 -16.602 -0.035 30 2HE LYS 4 2HE LYS 4 6.793 -14.883 -0.131 31 1HZ LYS 4 1HZ LYS 4 6.862 -15.889 -2.283 32 2HZ LYS 4 2HZ LYS 4 8.374 -15.376 -1.918 33 3HZ LYS 4 3HZ LYS 4 7.991 -16.981 -1.825 34 H GLU 5 H GLU 5 13.240 -12.769 1.445 35 HA GLU 5 HA GLU 5 13.168 -10.638 0.659 36 1HB GLU 5 1HB GLU 5 13.577 -12.141 -1.953 37 2HB GLU 5 2HB GLU 5 13.539 -10.384 -1.835 38 1HG GLU 5 1HG GLU 5 15.389 -10.518 -0.111 39 2HG GLU 5 2HG GLU 5 15.554 -12.231 -0.528 40 H LEU 6 H LEU 6 10.764 -11.193 1.510 41 HA LEU 6 HA LEU 6 8.693 -10.608 -0.409 42 1HB LEU 6 1HB LEU 6 8.094 -11.380 1.803 43 2HB LEU 6 2HB LEU 6 8.875 -9.997 2.565 44 HG LEU 6 HG LEU 6 6.926 -9.150 0.499 45 1HD1 LEU 6 1HD1 LEU 6 4.888 -9.712 1.721 46 2HD1 LEU 6 2HD1 LEU 6 5.703 -11.158 1.121 47 3HD1 LEU 6 3HD1 LEU 6 5.818 -10.722 2.839 48 1HD2 LEU 6 1HD2 LEU 6 6.188 -7.644 2.218 49 2HD2 LEU 6 2HD2 LEU 6 6.975 -8.613 3.492 50 3HD2 LEU 6 3HD2 LEU 6 7.948 -7.723 2.312 51 H LYS 7 H LYS 7 8.709 -8.955 -1.687 52 HA LYS 7 HA LYS 7 10.234 -6.472 -1.053 53 1HB LYS 7 1HB LYS 7 10.439 -7.682 -3.325 54 2HB LYS 7 2HB LYS 7 8.771 -7.207 -3.631 55 1HG LYS 7 1HG LYS 7 9.785 -5.402 -4.611 56 2HG LYS 7 2HG LYS 7 9.695 -4.780 -2.974 57 1HD LYS 7 1HD LYS 7 11.853 -4.267 -3.475 58 2HD LYS 7 2HD LYS 7 12.098 -5.851 -2.721 59 1HE LYS 7 1HE LYS 7 12.216 -6.928 -4.916 60 2HE LYS 7 2HE LYS 7 11.734 -5.428 -5.726 61 1HZ LYS 7 1HZ LYS 7 13.829 -4.427 -4.995 62 2HZ LYS 7 2HZ LYS 7 14.272 -5.810 -4.251 63 3HZ LYS 7 3HZ LYS 7 14.097 -5.779 -5.876 64 H PHE 8 H PHE 8 9.094 -4.606 -0.534 65 HA PHE 8 HA PHE 8 6.106 -4.633 -0.502 66 1HB PHE 8 1HB PHE 8 8.302 -2.978 0.739 67 2HB PHE 8 2HB PHE 8 6.744 -2.226 0.455 68 HD1 PHE 8 1HD PHE 8 5.306 -2.163 2.237 69 HD2 PHE 8 2HD PHE 8 8.168 -5.367 2.048 70 HE1 PHE 8 1HE PHE 8 4.455 -3.043 4.398 71 HE2 PHE 8 2HE PHE 8 7.356 -6.208 4.224 72 HZ PHE 8 HZ PHE 8 5.497 -5.039 5.416 73 H LEU 9 H LEU 9 5.010 -2.844 -1.672 74 HA LEU 9 HA LEU 9 6.744 -1.258 -3.465 75 1HB LEU 9 1HB LEU 9 5.283 -3.062 -4.657 76 2HB LEU 9 2HB LEU 9 3.905 -2.124 -4.107 77 HG LEU 9 HG LEU 9 4.956 -0.114 -5.313 78 1HD1 LEU 9 1HD1 LEU 9 6.600 -2.237 -6.754 79 2HD1 LEU 9 2HD1 LEU 9 6.618 -0.485 -7.025 80 3HD1 LEU 9 3HD1 LEU 9 7.261 -1.153 -5.529 81 1HD2 LEU 9 1HD2 LEU 9 3.042 -1.368 -6.229 82 2HD2 LEU 9 2HD2 LEU 9 4.143 -0.876 -7.526 83 3HD2 LEU 9 3HD2 LEU 9 4.146 -2.555 -6.953 84 H VAL 10 H VAL 10 6.278 0.949 -3.398 85 HA VAL 10 HA VAL 10 3.911 1.841 -1.850 86 HB VAL 10 HB VAL 10 6.723 2.998 -1.624 87 1HG1 VAL 10 1HG1 VAL 10 5.699 4.374 0.196 88 2HG1 VAL 10 2HG1 VAL 10 4.977 4.716 -1.379 89 3HG1 VAL 10 3HG1 VAL 10 4.106 3.705 -0.210 90 1HG2 VAL 10 1HG2 VAL 10 6.673 2.238 0.726 91 2HG2 VAL 10 2HG2 VAL 10 5.129 1.405 0.434 92 3HG2 VAL 10 3HG2 VAL 10 6.611 0.871 -0.384 93 H VAL 11 H VAL 11 2.676 2.706 -3.458 94 HA VAL 11 HA VAL 11 3.989 4.614 -5.332 95 HB VAL 11 HB VAL 11 1.575 2.991 -6.180 96 1HG1 VAL 11 1HG1 VAL 11 2.400 3.631 -8.403 97 2HG1 VAL 11 2HG1 VAL 11 2.112 5.068 -7.416 98 3HG1 VAL 11 3HG1 VAL 11 3.770 4.500 -7.680 99 1HG2 VAL 11 1HG2 VAL 11 3.186 1.292 -5.710 100 2HG2 VAL 11 2HG2 VAL 11 3.264 1.575 -7.444 101 3HG2 VAL 11 3HG2 VAL 11 4.521 2.254 -6.400 102 H ASP 12 H ASP 12 3.619 5.963 -3.537 103 HA ASP 12 HA ASP 12 0.971 6.964 -2.881 104 1HB ASP 12 1HB ASP 12 2.302 8.625 -1.615 105 2HB ASP 12 2HB ASP 12 2.833 6.978 -1.227 106 H ASP 13 H ASP 13 0.799 9.396 -3.123 107 HA ASP 13 HA ASP 13 1.110 10.251 -5.911 108 1HB ASP 13 1HB ASP 13 -1.050 10.392 -4.949 109 2HB ASP 13 2HB ASP 13 -0.442 11.113 -3.456 110 H PHE 14 H PHE 14 2.932 10.795 -2.977 111 HA PHE 14 HA PHE 14 3.906 13.438 -3.926 112 1HB PHE 14 1HB PHE 14 2.022 13.863 -2.376 113 2HB PHE 14 2HB PHE 14 2.779 12.870 -1.176 114 HD1 PHE 14 1HD PHE 14 4.598 15.429 -3.314 115 HD2 PHE 14 2HD PHE 14 3.017 14.413 0.562 116 HE1 PHE 14 1HE PHE 14 5.654 17.429 -2.341 117 HE2 PHE 14 2HE PHE 14 4.019 16.490 1.506 118 HZ PHE 14 HZ PHE 14 5.309 18.017 0.038 119 H SER 15 H SER 15 6.109 12.918 -4.145 120 HA SER 15 HA SER 15 7.552 10.910 -3.121 121 1HB SER 15 1HB SER 15 8.253 13.691 -3.894 122 2HB SER 15 2HB SER 15 9.445 12.901 -2.864 123 HG SER 15 HG SER 15 8.422 11.661 -5.235 124 H THR 16 H THR 16 7.058 13.896 -1.074 125 HA THR 16 HA THR 16 8.576 13.123 1.141 126 HB THR 16 HB THR 16 5.829 14.440 1.095 127 HG1 THR 16 1HG THR 16 6.772 16.298 0.737 128 1HG2 THR 16 1HG2 THR 16 8.042 14.544 3.172 129 2HG2 THR 16 2HG2 THR 16 6.650 15.657 3.130 130 3HG2 THR 16 3HG2 THR 16 6.382 13.941 3.359 131 H MET 17 H MET 17 5.238 12.142 0.249 132 HA MET 17 HA MET 17 4.516 10.769 2.609 133 1HB MET 17 1HB MET 17 3.270 11.469 0.289 134 2HB MET 17 2HB MET 17 3.565 9.760 -0.043 135 1HG MET 17 1HG MET 17 2.478 9.360 2.230 136 2HG MET 17 2HG MET 17 2.030 11.079 2.204 137 1HE MET 17 1HE MET 17 0.467 12.141 0.274 138 2HE MET 17 2HE MET 17 1.192 11.271 -1.103 139 3HE MET 17 3HE MET 17 -0.549 11.160 -0.803 140 H ARG 18 H ARG 18 6.479 9.803 -0.310 141 HA ARG 18 HA ARG 18 6.542 7.028 0.539 142 1HB ARG 18 1HB ARG 18 6.971 8.034 -1.833 143 2HB ARG 18 2HB ARG 18 8.604 8.308 -1.300 144 1HG ARG 18 1HG ARG 18 9.119 6.044 -1.120 145 2HG ARG 18 2HG ARG 18 7.465 5.565 -0.772 146 1HD ARG 18 1HD ARG 18 8.175 4.723 -2.929 147 2HD ARG 18 2HD ARG 18 6.805 5.770 -3.096 148 HE ARG 18 HE ARG 18 9.611 6.321 -3.872 149 1HH1 ARG 18 2HH2 ARG 18 6.229 7.502 -3.837 150 2HH1 ARG 18 1HH2 ARG 18 6.465 8.670 -5.070 151 1HH2 ARG 18 2HH1 ARG 18 10.008 8.081 -5.294 152 2HH2 ARG 18 1HH1 ARG 18 8.683 9.081 -5.819 153 H ARG 19 H ARG 19 8.660 9.855 0.887 154 HA ARG 19 HA ARG 19 10.914 8.584 2.104 155 1HB ARG 19 1HB ARG 19 9.761 11.367 2.666 156 2HB ARG 19 2HB ARG 19 11.339 10.810 3.167 157 1HG ARG 19 1HG ARG 19 10.564 10.858 0.237 158 2HG ARG 19 2HG ARG 19 11.117 12.315 1.060 159 1HD ARG 19 1HD ARG 19 12.684 9.724 1.115 160 2HD ARG 19 2HD ARG 19 12.835 10.944 -0.165 161 HE ARG 19 HE ARG 19 13.203 11.758 2.664 162 1HH1 ARG 19 2HH2 ARG 19 14.815 11.307 -0.524 163 2HH1 ARG 19 1HH2 ARG 19 16.171 12.265 -0.056 164 1HH2 ARG 19 2HH1 ARG 19 15.027 12.943 3.230 165 2HH2 ARG 19 1HH1 ARG 19 16.313 13.171 2.102 166 H ILE 20 H ILE 20 8.052 10.100 3.585 167 HA ILE 20 HA ILE 20 8.531 9.298 6.252 168 HB ILE 20 HB ILE 20 6.168 10.310 4.682 169 1HG1 ILE 20 1HG1 ILE 20 6.143 12.007 6.489 170 2HG1 ILE 20 2HG1 ILE 20 7.449 11.170 7.329 171 1HG2 ILE 20 1HG2 ILE 20 5.925 9.198 7.502 172 2HG2 ILE 20 2HG2 ILE 20 4.705 10.186 6.654 173 3HG2 ILE 20 3HG2 ILE 20 5.105 8.594 6.048 174 1HD1 ILE 20 1HD1 ILE 20 7.655 12.524 4.616 175 2HD1 ILE 20 2HD1 ILE 20 8.187 13.199 6.148 176 3HD1 ILE 20 3HD1 ILE 20 9.002 11.765 5.495 177 H VAL 21 H VAL 21 6.167 7.691 3.933 178 HA VAL 21 HA VAL 21 5.655 5.520 5.515 179 HB VAL 21 HB VAL 21 5.818 5.748 2.482 180 1HG1 VAL 21 1HG1 VAL 21 4.340 3.714 2.398 181 2HG1 VAL 21 2HG1 VAL 21 5.994 3.367 2.889 182 3HG1 VAL 21 3HG1 VAL 21 4.707 3.420 4.113 183 1HG2 VAL 21 1HG2 VAL 21 3.393 5.921 2.614 184 2HG2 VAL 21 2HG2 VAL 21 3.417 5.574 4.356 185 3HG2 VAL 21 3HG2 VAL 21 4.071 7.099 3.731 186 H ARG 22 H ARG 22 8.532 5.741 3.259 187 HA ARG 22 HA ARG 22 9.300 3.056 3.880 188 1HB ARG 22 1HB ARG 22 10.144 4.526 1.911 189 2HB ARG 22 2HB ARG 22 11.327 5.159 3.074 190 1HG ARG 22 1HG ARG 22 11.909 2.678 3.570 191 2HG ARG 22 2HG ARG 22 10.882 2.253 2.232 192 1HD ARG 22 1HD ARG 22 13.514 3.762 2.204 193 2HD ARG 22 2HD ARG 22 13.162 2.191 1.519 194 HE ARG 22 HE ARG 22 12.100 4.789 0.501 195 1HH1 ARG 22 2HH2 ARG 22 13.370 1.497 -0.338 196 2HH1 ARG 22 1HH2 ARG 22 13.527 1.938 -2.014 197 1HH2 ARG 22 2HH1 ARG 22 12.358 5.202 -1.816 198 2HH2 ARG 22 1HH1 ARG 22 13.078 3.967 -2.760 199 H ASN 23 H ASN 23 10.102 6.191 5.500 200 HA ASN 23 HA ASN 23 11.924 5.026 7.410 201 1HB ASN 23 1HB ASN 23 11.616 7.487 7.121 202 2HB ASN 23 2HB ASN 23 10.010 7.358 7.829 203 1HD2 ASN 23 1HD2 ASN 23 10.918 8.968 9.376 204 2HD2 ASN 23 2HD2 ASN 23 11.846 8.361 10.745 205 H LEU 24 H LEU 24 8.375 5.546 7.520 206 HA LEU 24 HA LEU 24 8.014 4.432 10.126 207 1HB LEU 24 1HB LEU 24 5.987 4.411 7.875 208 2HB LEU 24 2HB LEU 24 5.650 4.305 9.593 209 HG LEU 24 HG LEU 24 6.693 6.752 8.132 210 1HD1 LEU 24 1HD1 LEU 24 3.970 6.013 9.169 211 2HD1 LEU 24 2HD1 LEU 24 4.425 7.621 8.544 212 3HD1 LEU 24 3HD1 LEU 24 4.493 6.188 7.503 213 1HD2 LEU 24 1HD2 LEU 24 6.178 8.052 10.173 214 2HD2 LEU 24 2HD2 LEU 24 6.061 6.535 11.069 215 3HD2 LEU 24 3HD2 LEU 24 7.578 6.984 10.320 216 H LEU 25 H LEU 25 8.245 2.863 6.965 217 HA LEU 25 HA LEU 25 7.467 0.227 7.949 218 1HB LEU 25 1HB LEU 25 8.705 1.322 5.403 219 2HB LEU 25 2HB LEU 25 8.727 -0.410 5.700 220 HG LEU 25 HG LEU 25 6.132 1.159 5.910 221 1HD1 LEU 25 1HD1 LEU 25 7.135 1.519 3.647 222 2HD1 LEU 25 2HD1 LEU 25 7.137 -0.246 3.409 223 3HD1 LEU 25 3HD1 LEU 25 5.606 0.632 3.628 224 1HD2 LEU 25 1HD2 LEU 25 5.156 -1.066 5.418 225 2HD2 LEU 25 2HD2 LEU 25 6.785 -1.771 5.329 226 3HD2 LEU 25 3HD2 LEU 25 6.176 -1.145 6.864 227 H LYS 26 H LYS 26 10.585 1.898 7.242 228 HA LYS 26 HA LYS 26 12.102 -0.410 8.063 229 1HB LYS 26 1HB LYS 26 12.912 2.452 7.462 230 2HB LYS 26 2HB LYS 26 14.038 1.186 7.955 231 1HG LYS 26 1HG LYS 26 13.220 -0.236 6.002 232 2HG LYS 26 2HG LYS 26 12.297 1.161 5.452 233 1HD LYS 26 1HD LYS 26 14.345 1.239 4.227 234 2HD LYS 26 2HD LYS 26 14.501 2.473 5.492 235 1HE LYS 26 1HE LYS 26 15.555 0.453 6.884 236 2HE LYS 26 2HE LYS 26 15.786 -0.280 5.300 237 1HZ LYS 26 1HZ LYS 26 17.687 0.936 6.058 238 2HZ LYS 26 2HZ LYS 26 17.115 1.659 4.699 239 3HZ LYS 26 3HZ LYS 26 16.847 2.330 6.202 240 H GLU 27 H GLU 27 10.570 2.030 9.941 241 HA GLU 27 HA GLU 27 11.963 1.681 12.411 242 1HB GLU 27 1HB GLU 27 9.064 2.014 11.577 243 2HB GLU 27 2HB GLU 27 9.422 1.639 13.249 244 1HG GLU 27 1HG GLU 27 10.563 4.022 11.738 245 2HG GLU 27 2HG GLU 27 9.156 4.056 12.799 246 H LEU 28 H LEU 28 9.832 -0.429 10.540 247 HA LEU 28 HA LEU 28 9.710 -2.425 12.709 248 1HB LEU 28 1HB LEU 28 7.992 -2.076 10.240 249 2HB LEU 28 2HB LEU 28 7.656 -3.129 11.612 250 HG LEU 28 HG LEU 28 7.785 -0.078 11.807 251 1HD1 LEU 28 1HD1 LEU 28 5.325 -1.817 11.576 252 2HD1 LEU 28 2HD1 LEU 28 5.390 -0.043 11.755 253 3HD1 LEU 28 3HD1 LEU 28 5.991 -0.792 10.278 254 1HD2 LEU 28 1HD2 LEU 28 6.635 -2.160 13.718 255 2HD2 LEU 28 2HD2 LEU 28 8.139 -1.242 13.967 256 3HD2 LEU 28 3HD2 LEU 28 6.593 -0.394 13.931 257 H GLY 29 H GLY 29 11.376 -1.961 9.773 258 1HA GLY 29 1HA GLY 29 13.198 -3.678 9.538 259 2HA GLY 29 2HA GLY 29 11.907 -4.888 9.481 260 H PHE 30 H PHE 30 11.149 -5.365 7.541 261 HA PHE 30 HA PHE 30 10.784 -5.400 5.291 262 1HB PHE 30 1HB PHE 30 9.440 -2.810 6.087 263 2HB PHE 30 2HB PHE 30 8.939 -3.911 4.808 264 HD1 PHE 30 1HD PHE 30 8.019 -2.876 7.941 265 HD2 PHE 30 2HD PHE 30 8.969 -6.588 5.943 266 HE1 PHE 30 1HE PHE 30 6.800 -4.157 9.687 267 HE2 PHE 30 2HE PHE 30 7.762 -7.834 7.700 268 HZ PHE 30 HZ PHE 30 6.662 -6.627 9.562 269 H ASN 31 H ASN 31 13.286 -4.760 5.330 270 HA ASN 31 HA ASN 31 13.998 -2.149 4.739 271 1HB ASN 31 1HB ASN 31 15.562 -4.734 4.352 272 2HB ASN 31 2HB ASN 31 16.273 -3.133 4.248 273 1HD2 ASN 31 1HD2 ASN 31 17.290 -2.432 6.157 274 2HD2 ASN 31 2HD2 ASN 31 16.670 -2.837 7.738 275 H ASN 32 H ASN 32 12.405 -3.981 2.468 276 HA ASN 32 HA ASN 32 13.889 -2.889 0.154 277 1HB ASN 32 1HB ASN 32 13.223 -5.830 0.527 278 2HB ASN 32 2HB ASN 32 13.493 -5.084 -1.038 279 1HD2 ASN 32 1HD2 ASN 32 15.157 -6.657 1.451 280 2HD2 ASN 32 2HD2 ASN 32 16.769 -6.097 1.037 281 H VAL 33 H VAL 33 12.229 -1.375 0.382 282 HA VAL 33 HA VAL 33 9.669 -2.313 -0.752 283 HB VAL 33 HB VAL 33 8.692 -0.314 -0.188 284 1HG1 VAL 33 1HG1 VAL 33 10.733 -0.515 2.094 285 2HG1 VAL 33 2HG1 VAL 33 9.109 0.178 2.155 286 3HG1 VAL 33 3HG1 VAL 33 9.322 -1.560 1.953 287 1HG2 VAL 33 1HG2 VAL 33 9.792 1.763 0.388 288 2HG2 VAL 33 2HG2 VAL 33 11.394 0.973 0.278 289 3HG2 VAL 33 3HG2 VAL 33 10.383 1.220 -1.166 290 H GLU 34 H GLU 34 9.005 -1.243 -2.736 291 HA GLU 34 HA GLU 34 11.149 -0.130 -4.438 292 1HB GLU 34 1HB GLU 34 9.559 -2.605 -4.758 293 2HB GLU 34 2HB GLU 34 9.385 -1.534 -6.141 294 1HG GLU 34 1HG GLU 34 12.038 -2.421 -5.006 295 2HG GLU 34 2HG GLU 34 11.172 -3.237 -6.315 296 H GLU 35 H GLU 35 9.987 0.830 -6.419 297 HA GLU 35 HA GLU 35 7.750 2.575 -5.460 298 1HB GLU 35 1HB GLU 35 10.346 3.519 -6.752 299 2HB GLU 35 2HB GLU 35 9.088 4.513 -6.013 300 1HG GLU 35 1HG GLU 35 9.705 3.617 -3.772 301 2HG GLU 35 2HG GLU 35 10.902 2.563 -4.501 302 H ALA 36 H ALA 36 6.558 3.580 -7.253 303 HA ALA 36 HA ALA 36 7.304 2.643 -9.961 304 1HB ALA 36 1HB ALA 36 4.409 2.724 -9.175 305 2HB ALA 36 2HB ALA 36 5.203 1.817 -10.455 306 3HB ALA 36 3HB ALA 36 5.376 1.281 -8.787 307 H GLU 37 H GLU 37 6.152 3.984 -11.661 308 HA GLU 37 HA GLU 37 6.427 6.769 -11.004 309 1HB GLU 37 1HB GLU 37 5.228 5.497 -13.508 310 2HB GLU 37 2HB GLU 37 5.709 7.188 -13.303 311 1HG GLU 37 1HG GLU 37 8.048 6.050 -12.629 312 2HG GLU 37 2HG GLU 37 7.427 4.744 -13.634 313 H ASP 38 H ASP 38 3.625 4.571 -11.085 314 HA ASP 38 HA ASP 38 1.778 6.361 -9.950 315 1HB ASP 38 1HB ASP 38 2.056 6.596 -12.893 316 2HB ASP 38 2HB ASP 38 0.456 6.024 -12.466 317 H GLY 39 H GLY 39 -0.510 5.281 -10.191 318 1HA GLY 39 1HA GLY 39 -0.553 2.665 -9.357 319 2HA GLY 39 2HA GLY 39 -1.905 3.449 -10.176 320 H VAL 40 H VAL 40 -0.750 3.726 -12.796 321 HA VAL 40 HA VAL 40 -1.238 1.147 -13.883 322 HB VAL 40 HB VAL 40 0.143 3.549 -15.156 323 1HG1 VAL 40 1HG1 VAL 40 0.382 1.466 -16.492 324 2HG1 VAL 40 2HG1 VAL 40 -1.379 1.228 -16.435 325 3HG1 VAL 40 3HG1 VAL 40 -0.686 2.626 -17.285 326 1HG2 VAL 40 1HG2 VAL 40 -2.113 4.157 -15.993 327 2HG2 VAL 40 2HG2 VAL 40 -2.829 2.830 -15.069 328 3HG2 VAL 40 3HG2 VAL 40 -2.077 4.215 -14.244 329 H ASP 41 H ASP 41 1.858 2.882 -13.175 330 HA ASP 41 HA ASP 41 3.505 0.698 -14.135 331 1HB ASP 41 1HB ASP 41 4.364 3.033 -13.985 332 2HB ASP 41 2HB ASP 41 4.255 2.935 -12.243 333 H ALA 42 H ALA 42 1.739 1.437 -11.140 334 HA ALA 42 HA ALA 42 3.266 -0.192 -9.390 335 1HB ALA 42 1HB ALA 42 0.262 0.215 -9.119 336 2HB ALA 42 2HB ALA 42 1.452 -0.060 -7.859 337 3HB ALA 42 3HB ALA 42 1.424 1.491 -8.729 338 H LEU 43 H LEU 43 0.257 -0.877 -11.237 339 HA LEU 43 HA LEU 43 0.092 -3.635 -10.637 340 1HB LEU 43 1HB LEU 43 -1.573 -2.048 -11.897 341 2HB LEU 43 2HB LEU 43 -0.673 -2.515 -13.335 342 HG LEU 43 HG LEU 43 -1.103 -4.994 -12.351 343 1HD1 LEU 43 1HD1 LEU 43 -2.230 -4.129 -10.283 344 2HD1 LEU 43 2HD1 LEU 43 -3.530 -3.492 -11.309 345 3HD1 LEU 43 3HD1 LEU 43 -3.218 -5.243 -11.236 346 1HD2 LEU 43 1HD2 LEU 43 -1.848 -4.257 -14.544 347 2HD2 LEU 43 2HD2 LEU 43 -3.176 -5.108 -13.725 348 3HD2 LEU 43 3HD2 LEU 43 -3.178 -3.335 -13.826 349 H ASN 44 H ASN 44 1.848 -1.952 -13.220 350 HA ASN 44 HA ASN 44 2.914 -4.203 -14.578 351 1HB ASN 44 1HB ASN 44 3.040 -2.121 -15.684 352 2HB ASN 44 2HB ASN 44 3.878 -1.365 -14.328 353 1HD2 ASN 44 1HD2 ASN 44 6.039 -1.171 -14.497 354 2HD2 ASN 44 2HD2 ASN 44 7.078 -2.231 -15.454 355 H LYS 45 H LYS 45 4.194 -2.410 -11.707 356 HA LYS 45 HA LYS 45 6.606 -3.961 -11.490 357 1HB LYS 45 1HB LYS 45 4.983 -2.570 -9.318 358 2HB LYS 45 2HB LYS 45 6.585 -3.234 -9.092 359 1HG LYS 45 1HG LYS 45 6.279 -1.297 -11.361 360 2HG LYS 45 2HG LYS 45 6.083 -0.640 -9.739 361 1HD LYS 45 1HD LYS 45 8.274 -1.338 -9.090 362 2HD LYS 45 2HD LYS 45 8.496 -2.287 -10.573 363 1HE LYS 45 1HE LYS 45 8.135 0.745 -10.439 364 2HE LYS 45 2HE LYS 45 9.682 -0.093 -10.578 365 1HZ LYS 45 1HZ LYS 45 8.835 -1.043 -12.693 366 2HZ LYS 45 2HZ LYS 45 7.524 -0.016 -12.598 367 3HZ LYS 45 3HZ LYS 45 9.025 0.594 -12.723 368 H LEU 46 H LEU 46 3.301 -4.437 -10.128 369 HA LEU 46 HA LEU 46 3.932 -6.718 -8.601 370 1HB LEU 46 1HB LEU 46 1.298 -6.608 -10.062 371 2HB LEU 46 2HB LEU 46 1.653 -7.293 -8.479 372 HG LEU 46 HG LEU 46 1.533 -4.396 -9.255 373 1HD1 LEU 46 1HD1 LEU 46 -0.317 -5.891 -7.440 374 2HD1 LEU 46 2HD1 LEU 46 -0.433 -4.207 -8.017 375 3HD1 LEU 46 3HD1 LEU 46 -0.623 -5.542 -9.155 376 1HD2 LEU 46 1HD2 LEU 46 1.793 -3.731 -6.980 377 2HD2 LEU 46 2HD2 LEU 46 1.896 -5.420 -6.426 378 3HD2 LEU 46 3HD2 LEU 46 3.196 -4.703 -7.403 379 H GLN 47 H GLN 47 2.949 -6.584 -12.085 380 HA GLN 47 HA GLN 47 3.220 -9.479 -12.316 381 1HB GLN 47 1HB GLN 47 3.144 -9.227 -14.728 382 2HB GLN 47 2HB GLN 47 1.863 -8.295 -13.965 383 1HG GLN 47 1HG GLN 47 3.088 -6.252 -14.258 384 2HG GLN 47 2HG GLN 47 4.533 -7.093 -14.851 385 1HE2 GLN 47 1HE2 GLN 47 3.802 -5.067 -16.404 386 2HE2 GLN 47 2HE2 GLN 47 2.833 -5.541 -17.767 387 H ALA 48 H ALA 48 5.659 -7.174 -11.967 388 HA ALA 48 HA ALA 48 7.603 -8.548 -13.718 389 1HB ALA 48 1HB ALA 48 7.927 -5.994 -12.092 390 2HB ALA 48 2HB ALA 48 8.992 -6.595 -13.373 391 3HB ALA 48 3HB ALA 48 7.352 -6.053 -13.775 392 H GLY 49 H GLY 49 6.619 -9.044 -10.515 393 1HA GLY 49 1HA GLY 49 9.128 -10.335 -9.831 394 2HA GLY 49 2HA GLY 49 8.765 -8.901 -8.856 395 H GLY 50 H GLY 50 8.906 -11.084 -7.379 396 1HA GLY 50 1HA GLY 50 6.116 -11.962 -6.825 397 2HA GLY 50 2HA GLY 50 7.603 -12.558 -6.061 398 H TYR 51 H TYR 51 5.491 -9.667 -6.403 399 HA TYR 51 HA TYR 51 6.710 -8.312 -4.091 400 1HB TYR 51 1HB TYR 51 4.303 -7.778 -5.877 401 2HB TYR 51 2HB TYR 51 4.547 -6.911 -4.375 402 HD1 TYR 51 1HD TYR 51 6.181 -5.230 -4.100 403 HD2 TYR 51 2HD TYR 51 6.136 -7.605 -7.707 404 HE1 TYR 51 1HE TYR 51 7.791 -3.706 -5.106 405 HE2 TYR 51 2HE TYR 51 7.843 -6.108 -8.705 406 HH TYR 51 HH TYR 51 9.135 -3.252 -6.994 407 H GLY 52 H GLY 52 5.534 -7.989 -2.115 408 1HA GLY 52 1HA GLY 52 3.345 -9.986 -1.600 409 2HA GLY 52 2HA GLY 52 4.693 -9.770 -0.505 410 H PHE 53 H PHE 53 4.043 -6.662 -1.663 411 HA PHE 53 HA PHE 53 1.808 -6.047 0.123 412 1HB PHE 53 1HB PHE 53 4.672 -5.648 0.826 413 2HB PHE 53 2HB PHE 53 3.753 -4.158 0.841 414 HD1 PHE 53 1HD PHE 53 3.958 -7.571 2.310 415 HD2 PHE 53 2HD PHE 53 2.145 -3.669 2.526 416 HE1 PHE 53 1HE PHE 53 3.084 -8.114 4.564 417 HE2 PHE 53 2HE PHE 53 1.331 -4.171 4.783 418 HZ PHE 53 HZ PHE 53 1.784 -6.434 5.818 419 H VAL 54 H VAL 54 0.670 -4.366 -0.778 420 HA VAL 54 HA VAL 54 2.031 -2.692 -2.839 421 HB VAL 54 HB VAL 54 -0.836 -3.672 -3.029 422 1HG1 VAL 54 1HG1 VAL 54 -0.244 -1.939 -4.616 423 2HG1 VAL 54 2HG1 VAL 54 1.262 -2.802 -5.045 424 3HG1 VAL 54 3HG1 VAL 54 -0.304 -3.476 -5.493 425 1HG2 VAL 54 1HG2 VAL 54 1.570 -5.203 -4.046 426 2HG2 VAL 54 2HG2 VAL 54 0.386 -5.733 -2.820 427 3HG2 VAL 54 3HG2 VAL 54 -0.146 -5.478 -4.473 428 H ILE 55 H ILE 55 2.322 -0.960 -1.267 429 HA ILE 55 HA ILE 55 -0.151 0.120 0.002 430 HB ILE 55 HB ILE 55 2.848 0.545 0.331 431 1HG1 ILE 55 1HG1 ILE 55 1.005 0.260 2.680 432 2HG1 ILE 55 2HG1 ILE 55 1.009 -1.141 1.603 433 1HG2 ILE 55 1HG2 ILE 55 0.603 2.285 1.429 434 2HG2 ILE 55 2HG2 ILE 55 2.261 2.286 2.073 435 3HG2 ILE 55 3HG2 ILE 55 1.949 2.813 0.408 436 1HD1 ILE 55 1HD1 ILE 55 3.500 0.050 2.841 437 2HD1 ILE 55 2HD1 ILE 55 2.633 -1.399 3.405 438 3HD1 ILE 55 3HD1 ILE 55 3.381 -1.392 1.794 439 H SER 56 H SER 56 -1.060 2.107 -0.768 440 HA SER 56 HA SER 56 0.491 3.589 -2.768 441 1HB SER 56 1HB SER 56 -1.202 3.468 -4.503 442 2HB SER 56 2HB SER 56 -0.698 1.828 -4.089 443 HG SER 56 HG SER 56 -3.065 3.220 -3.398 444 H ASP 57 H ASP 57 -0.665 5.552 -3.482 445 HA ASP 57 HA ASP 57 -2.453 6.728 -1.413 446 1HB ASP 57 1HB ASP 57 -0.689 8.177 -2.371 447 2HB ASP 57 2HB ASP 57 -1.382 7.959 -3.986 448 H TRP 58 H TRP 58 -4.039 8.076 -3.517 449 HA TRP 58 HA TRP 58 -5.712 5.849 -4.509 450 1HB TRP 58 1HB TRP 58 -6.537 6.972 -2.422 451 2HB TRP 58 2HB TRP 58 -6.520 8.512 -3.269 452 HD1 TRP 58 HD TRP 58 -8.234 8.627 -5.488 453 HE1 TRP 58 1HE TRP 58 -10.563 7.637 -5.770 454 HE3 TRP 58 3HE TRP 58 -8.021 5.067 -1.825 455 HZ2 TRP 58 2HZ TRP 58 -12.201 5.638 -4.476 456 HZ3 TRP 58 3HZ TRP 58 -10.009 3.621 -1.390 457 HH2 TRP 58 HH TRP 58 -12.069 3.928 -2.636 458 H ASN 59 H ASN 59 -4.513 9.218 -4.869 459 HA ASN 59 HA ASN 59 -6.368 9.767 -7.019 460 1HB ASN 59 1HB ASN 59 -4.203 11.398 -5.637 461 2HB ASN 59 2HB ASN 59 -5.288 12.035 -6.879 462 1HD2 ASN 59 1HD2 ASN 59 -5.326 13.414 -4.639 463 2HD2 ASN 59 2HD2 ASN 59 -6.773 13.080 -3.685 464 H MET 60 H MET 60 -4.806 7.748 -8.063 465 HA MET 60 HA MET 60 -2.659 9.041 -9.691 466 1HB MET 60 1HB MET 60 -3.382 6.101 -9.349 467 2HB MET 60 2HB MET 60 -2.109 6.741 -10.390 468 1HG MET 60 1HG MET 60 -0.873 6.195 -8.521 469 2HG MET 60 2HG MET 60 -1.194 7.893 -8.241 470 1HE MET 60 1HE MET 60 -1.630 4.227 -7.083 471 2HE MET 60 2HE MET 60 -2.994 4.293 -5.948 472 3HE MET 60 3HE MET 60 -3.280 4.515 -7.689 473 HA PRO 61 HA PRO 61 -5.623 9.289 -12.985 474 1HB PRO 61 1HB PRO 61 -4.083 9.466 -15.218 475 2HB PRO 61 2HB PRO 61 -4.194 10.764 -14.000 476 1HG PRO 61 1HG PRO 61 -2.045 8.644 -14.263 477 2HG PRO 61 2HG PRO 61 -1.853 10.414 -14.009 478 1HD PRO 61 1HD PRO 61 -1.744 8.595 -11.963 479 2HD PRO 61 2HD PRO 61 -2.394 10.245 -11.741 480 H ASN 62 H ASN 62 -6.511 8.155 -14.771 481 HA ASN 62 HA ASN 62 -7.462 6.383 -15.614 482 1HB ASN 62 1HB ASN 62 -4.729 6.124 -16.474 483 2HB ASN 62 2HB ASN 62 -5.352 4.515 -16.156 484 1HD2 ASN 62 1HD2 ASN 62 -5.800 7.423 -18.094 485 2HD2 ASN 62 2HD2 ASN 62 -6.914 6.721 -19.247 486 H MET 63 H MET 63 -4.863 4.728 -13.843 487 HA MET 63 HA MET 63 -6.890 2.972 -12.580 488 1HB MET 63 1HB MET 63 -5.043 1.919 -13.860 489 2HB MET 63 2HB MET 63 -3.863 2.633 -12.754 490 1HG MET 63 1HG MET 63 -4.742 1.388 -10.900 491 2HG MET 63 2HG MET 63 -6.146 0.852 -11.824 492 1HE MET 63 1HE MET 63 -4.907 -1.923 -14.133 493 2HE MET 63 2HE MET 63 -6.294 -1.118 -13.381 494 3HE MET 63 3HE MET 63 -5.264 -0.237 -14.533 495 H ASP 64 H ASP 64 -7.637 4.647 -11.195 496 HA ASP 64 HA ASP 64 -6.111 6.012 -9.194 497 1HB ASP 64 1HB ASP 64 -8.813 4.705 -8.770 498 2HB ASP 64 2HB ASP 64 -8.139 6.000 -7.824 499 H GLY 65 H GLY 65 -6.038 5.304 -6.845 500 1HA GLY 65 1HA GLY 65 -4.890 2.761 -6.379 501 2HA GLY 65 2HA GLY 65 -5.627 3.771 -5.134 502 H LEU 66 H LEU 66 -8.338 3.669 -6.511 503 HA LEU 66 HA LEU 66 -9.166 1.195 -5.234 504 1HB LEU 66 1HB LEU 66 -10.296 3.577 -5.313 505 2HB LEU 66 2HB LEU 66 -11.023 3.024 -6.799 506 HG LEU 66 HG LEU 66 -12.348 2.876 -4.642 507 1HD1 LEU 66 1HD1 LEU 66 -13.502 0.846 -5.078 508 2HD1 LEU 66 2HD1 LEU 66 -13.078 1.640 -6.607 509 3HD1 LEU 66 3HD1 LEU 66 -12.153 0.220 -6.037 510 1HD2 LEU 66 1HD2 LEU 66 -12.038 1.071 -3.124 511 2HD2 LEU 66 2HD2 LEU 66 -10.778 0.340 -4.111 512 3HD2 LEU 66 3HD2 LEU 66 -10.464 1.875 -3.258 513 H GLU 67 H GLU 67 -8.570 2.287 -8.504 514 HA GLU 67 HA GLU 67 -9.881 -0.010 -9.785 515 1HB GLU 67 1HB GLU 67 -7.930 2.099 -10.807 516 2HB GLU 67 2HB GLU 67 -8.645 0.825 -11.798 517 1HG GLU 67 1HG GLU 67 -10.110 3.086 -10.377 518 2HG GLU 67 2HG GLU 67 -9.887 2.894 -12.113 519 H LEU 68 H LEU 68 -6.588 1.068 -8.884 520 HA LEU 68 HA LEU 68 -5.114 -1.170 -9.680 521 1HB LEU 68 1HB LEU 68 -4.171 0.971 -8.824 522 2HB LEU 68 2HB LEU 68 -4.788 0.598 -7.225 523 HG LEU 68 HG LEU 68 -3.294 -1.383 -7.103 524 1HD1 LEU 68 1HD1 LEU 68 -2.175 -0.295 -9.729 525 2HD1 LEU 68 2HD1 LEU 68 -1.393 -1.539 -8.731 526 3HD1 LEU 68 3HD1 LEU 68 -2.951 -1.868 -9.500 527 1HD2 LEU 68 1HD2 LEU 68 -1.231 -0.088 -6.751 528 2HD2 LEU 68 2HD2 LEU 68 -1.906 1.263 -7.694 529 3HD2 LEU 68 3HD2 LEU 68 -2.641 0.792 -6.146 530 H LEU 69 H LEU 69 -6.796 -0.598 -6.550 531 HA LEU 69 HA LEU 69 -6.286 -3.123 -5.368 532 1HB LEU 69 1HB LEU 69 -7.058 -1.415 -3.970 533 2HB LEU 69 2HB LEU 69 -8.400 -1.004 -5.016 534 HG LEU 69 HG LEU 69 -9.708 -2.837 -4.390 535 1HD1 LEU 69 1HD1 LEU 69 -7.871 -4.017 -2.317 536 2HD1 LEU 69 2HD1 LEU 69 -9.250 -4.707 -3.145 537 3HD1 LEU 69 3HD1 LEU 69 -7.694 -4.563 -3.973 538 1HD2 LEU 69 1HD2 LEU 69 -9.921 -2.453 -1.930 539 2HD2 LEU 69 2HD2 LEU 69 -8.313 -1.713 -1.938 540 3HD2 LEU 69 3HD2 LEU 69 -9.643 -0.933 -2.781 541 H LYS 70 H LYS 70 -9.268 -2.090 -7.259 542 HA LYS 70 HA LYS 70 -10.257 -4.811 -6.935 543 1HB LYS 70 1HB LYS 70 -11.245 -2.691 -8.864 544 2HB LYS 70 2HB LYS 70 -11.955 -4.301 -8.648 545 1HG LYS 70 1HG LYS 70 -12.202 -3.756 -6.165 546 2HG LYS 70 2HG LYS 70 -11.838 -2.080 -6.603 547 1HD LYS 70 1HD LYS 70 -13.801 -2.423 -8.360 548 2HD LYS 70 2HD LYS 70 -14.232 -3.804 -7.339 549 1HE LYS 70 1HE LYS 70 -14.342 -2.277 -5.361 550 2HE LYS 70 2HE LYS 70 -13.895 -0.920 -6.418 551 1HZ LYS 70 1HZ LYS 70 -15.965 -1.491 -7.678 552 2HZ LYS 70 2HZ LYS 70 -16.403 -2.440 -6.405 553 3HZ LYS 70 3HZ LYS 70 -16.173 -0.805 -6.210 554 H THR 71 H THR 71 -8.201 -3.366 -9.433 555 HA THR 71 HA THR 71 -8.352 -5.534 -11.294 556 HB THR 71 HB THR 71 -6.077 -3.596 -10.676 557 HG1 THR 71 1HG THR 71 -7.810 -2.442 -11.254 558 1HG2 THR 71 1HG2 THR 71 -5.328 -5.515 -12.078 559 2HG2 THR 71 2HG2 THR 71 -6.642 -5.174 -13.222 560 3HG2 THR 71 3HG2 THR 71 -5.347 -3.988 -12.968 561 H ILE 72 H ILE 72 -6.012 -4.823 -8.622 562 HA ILE 72 HA ILE 72 -4.515 -7.188 -8.658 563 HB ILE 72 HB ILE 72 -5.333 -5.170 -6.535 564 1HG1 ILE 72 1HG1 ILE 72 -2.626 -5.906 -7.721 565 2HG1 ILE 72 2HG1 ILE 72 -3.660 -4.647 -8.377 566 1HG2 ILE 72 1HG2 ILE 72 -3.776 -6.127 -4.910 567 2HG2 ILE 72 2HG2 ILE 72 -5.022 -7.300 -5.279 568 3HG2 ILE 72 3HG2 ILE 72 -3.417 -7.453 -6.004 569 1HD1 ILE 72 1HD1 ILE 72 -2.254 -4.649 -5.696 570 2HD1 ILE 72 2HD1 ILE 72 -2.156 -3.460 -7.004 571 3HD1 ILE 72 3HD1 ILE 72 -3.621 -3.558 -6.033 572 H ARG 73 H ARG 73 -7.432 -6.446 -6.757 573 HA ARG 73 HA ARG 73 -7.680 -8.862 -5.422 574 1HB ARG 73 1HB ARG 73 -8.809 -6.633 -5.004 575 2HB ARG 73 2HB ARG 73 -9.970 -7.010 -6.274 576 1HG ARG 73 1HG ARG 73 -9.523 -8.945 -3.992 577 2HG ARG 73 2HG ARG 73 -10.440 -7.474 -3.688 578 1HD ARG 73 1HD ARG 73 -12.161 -8.023 -5.178 579 2HD ARG 73 2HD ARG 73 -11.224 -9.269 -5.998 580 HE ARG 73 HE ARG 73 -11.201 -10.498 -3.809 581 1HH1 ARG 73 2HH2 ARG 73 -13.976 -8.403 -4.677 582 2HH1 ARG 73 1HH2 ARG 73 -15.076 -9.270 -3.666 583 1HH2 ARG 73 2HH1 ARG 73 -12.774 -11.795 -2.772 584 2HH2 ARG 73 1HH1 ARG 73 -14.458 -11.444 -2.911 585 H ALA 74 H ALA 74 -8.652 -8.152 -8.735 586 HA ALA 74 HA ALA 74 -10.782 -9.867 -9.056 587 1HB ALA 74 1HB ALA 74 -10.387 -9.680 -11.427 588 2HB ALA 74 2HB ALA 74 -9.966 -8.138 -10.684 589 3HB ALA 74 3HB ALA 74 -8.675 -9.252 -11.166 590 H ASP 75 H ASP 75 -7.351 -10.683 -9.855 591 HA ASP 75 HA ASP 75 -7.239 -12.944 -8.479 592 1HB ASP 75 1HB ASP 75 -8.777 -13.743 -10.642 593 2HB ASP 75 2HB ASP 75 -7.198 -14.110 -11.236 594 H GLY 76 H GLY 76 -5.298 -14.487 -9.970 595 1HA GLY 76 1HA GLY 76 -3.583 -14.303 -11.551 596 2HA GLY 76 2HA GLY 76 -3.587 -12.544 -11.401 597 H ALA 77 H ALA 77 -3.534 -14.878 -8.804 598 HA ALA 77 HA ALA 77 -2.326 -15.178 -6.943 599 1HB ALA 77 1HB ALA 77 -0.006 -13.634 -8.139 600 2HB ALA 77 2HB ALA 77 0.006 -14.674 -6.721 601 3HB ALA 77 3HB ALA 77 -0.261 -15.388 -8.324 602 H MET 78 H MET 78 -2.279 -11.971 -8.383 603 HA MET 78 HA MET 78 -1.840 -10.454 -6.090 604 1HB MET 78 1HB MET 78 -3.555 -9.379 -8.326 605 2HB MET 78 2HB MET 78 -2.306 -8.574 -7.381 606 1HG MET 78 1HG MET 78 -0.633 -10.141 -8.532 607 2HG MET 78 2HG MET 78 -1.959 -10.541 -9.635 608 1HE MET 78 1HE MET 78 0.449 -8.371 -11.814 609 2HE MET 78 2HE MET 78 0.934 -9.452 -10.488 610 3HE MET 78 3HE MET 78 -0.342 -9.951 -11.618 611 H SER 79 H SER 79 -4.613 -12.210 -6.883 612 HA SER 79 HA SER 79 -6.779 -11.001 -5.662 613 1HB SER 79 1HB SER 79 -6.880 -13.720 -4.950 614 2HB SER 79 2HB SER 79 -7.554 -12.962 -6.387 615 HG SER 79 HG SER 79 -6.256 -14.469 -7.259 616 H ALA 80 H ALA 80 -3.928 -12.450 -4.160 617 HA ALA 80 HA ALA 80 -5.028 -11.976 -1.428 618 1HB ALA 80 1HB ALA 80 -2.717 -13.745 -2.284 619 2HB ALA 80 2HB ALA 80 -3.516 -13.708 -0.709 620 3HB ALA 80 3HB ALA 80 -4.400 -14.312 -2.126 621 H LEU 81 H LEU 81 -3.178 -10.192 -3.504 622 HA LEU 81 HA LEU 81 -0.880 -9.594 -1.804 623 1HB LEU 81 1HB LEU 81 -2.167 -8.307 -4.212 624 2HB LEU 81 2HB LEU 81 -1.147 -7.327 -3.198 625 HG LEU 81 HG LEU 81 -0.239 -9.877 -4.572 626 1HD1 LEU 81 1HD1 LEU 81 0.602 -8.593 -6.306 627 2HD1 LEU 81 2HD1 LEU 81 -0.747 -7.527 -5.864 628 3HD1 LEU 81 3HD1 LEU 81 0.892 -7.192 -5.299 629 1HD2 LEU 81 1HD2 LEU 81 1.109 -9.529 -2.566 630 2HD2 LEU 81 2HD2 LEU 81 2.055 -9.011 -3.960 631 3HD2 LEU 81 3HD2 LEU 81 1.285 -7.801 -2.917 632 HA PRO 82 HA PRO 82 -3.549 -7.092 0.853 633 1HB PRO 82 1HB PRO 82 -1.661 -6.044 2.545 634 2HB PRO 82 2HB PRO 82 -2.307 -7.705 2.709 635 1HG PRO 82 1HG PRO 82 0.273 -6.823 1.420 636 2HG PRO 82 2HG PRO 82 0.000 -8.206 2.512 637 1HD PRO 82 1HD PRO 82 0.108 -8.461 -0.230 638 2HD PRO 82 2HD PRO 82 -0.922 -9.507 0.795 639 H VAL 83 H VAL 83 -4.242 -5.128 0.171 640 HA VAL 83 HA VAL 83 -2.241 -3.208 -0.868 641 HB VAL 83 HB VAL 83 -3.748 -2.167 -2.269 642 1HG1 VAL 83 1HG1 VAL 83 -4.604 -3.819 -3.803 643 2HG1 VAL 83 2HG1 VAL 83 -3.051 -4.383 -3.182 644 3HG1 VAL 83 3HG1 VAL 83 -4.563 -5.088 -2.569 645 1HG2 VAL 83 1HG2 VAL 83 -6.004 -3.723 -0.972 646 2HG2 VAL 83 2HG2 VAL 83 -5.696 -1.966 -0.841 647 3HG2 VAL 83 3HG2 VAL 83 -6.137 -2.647 -2.393 648 H LEU 84 H LEU 84 -2.277 -1.090 0.022 649 HA LEU 84 HA LEU 84 -4.020 -0.701 2.387 650 1HB LEU 84 1HB LEU 84 -2.026 -1.804 3.261 651 2HB LEU 84 2HB LEU 84 -1.001 -0.648 2.427 652 HG LEU 84 HG LEU 84 -1.662 1.153 3.874 653 1HD1 LEU 84 1HD1 LEU 84 -3.251 0.749 5.790 654 2HD1 LEU 84 2HD1 LEU 84 -3.993 0.811 4.202 655 3HD1 LEU 84 3HD1 LEU 84 -3.720 -0.772 4.986 656 1HD2 LEU 84 1HD2 LEU 84 0.057 -0.406 4.749 657 2HD2 LEU 84 2HD2 LEU 84 -0.888 0.329 6.050 658 3HD2 LEU 84 3HD2 LEU 84 -1.211 -1.349 5.554 659 H MET 85 H MET 85 -4.988 1.120 2.022 660 HA MET 85 HA MET 85 -3.936 3.121 0.146 661 1HB MET 85 1HB MET 85 -6.355 3.290 1.997 662 2HB MET 85 2HB MET 85 -6.014 4.322 0.622 663 1HG MET 85 1HG MET 85 -6.550 1.318 0.420 664 2HG MET 85 2HG MET 85 -7.787 2.550 0.285 665 1HE MET 85 1HE MET 85 -7.510 1.216 -3.340 666 2HE MET 85 2HE MET 85 -7.134 0.250 -1.900 667 3HE MET 85 3HE MET 85 -8.513 1.382 -1.886 668 H VAL 86 H VAL 86 -2.471 4.670 0.837 669 HA VAL 86 HA VAL 86 -2.588 5.685 3.628 670 HB VAL 86 HB VAL 86 -0.060 5.086 2.013 671 1HG1 VAL 86 1HG1 VAL 86 -0.414 6.215 4.831 672 2HG1 VAL 86 2HG1 VAL 86 1.129 5.736 4.096 673 3HG1 VAL 86 3HG1 VAL 86 0.221 7.082 3.411 674 1HG2 VAL 86 1HG2 VAL 86 -0.981 3.014 2.891 675 2HG2 VAL 86 2HG2 VAL 86 0.488 3.448 3.766 676 3HG2 VAL 86 3HG2 VAL 86 -1.103 3.709 4.520 677 H THR 87 H THR 87 -3.587 7.638 3.177 678 HA THR 87 HA THR 87 -2.567 9.160 0.846 679 HB THR 87 HB THR 87 -4.264 7.584 0.091 680 HG1 THR 87 1HG THR 87 -4.188 9.537 -0.883 681 1HG2 THR 87 1HG2 THR 87 -5.590 7.197 2.105 682 2HG2 THR 87 2HG2 THR 87 -6.167 8.877 2.085 683 3HG2 THR 87 3HG2 THR 87 -6.617 7.751 0.786 684 H ALA 88 H ALA 88 -3.827 11.258 0.573 685 HA ALA 88 HA ALA 88 -4.061 12.764 3.113 686 1HB ALA 88 1HB ALA 88 -4.548 13.584 0.202 687 2HB ALA 88 2HB ALA 88 -4.464 14.659 1.605 688 3HB ALA 88 3HB ALA 88 -3.008 13.801 1.056 689 H GLU 89 H GLU 89 -5.961 10.996 0.733 690 HA GLU 89 HA GLU 89 -8.368 12.497 0.893 691 1HB GLU 89 1HB GLU 89 -7.717 9.688 -0.084 692 2HB GLU 89 2HB GLU 89 -9.276 10.456 -0.322 693 1HG GLU 89 1HG GLU 89 -6.661 11.690 -1.316 694 2HG GLU 89 2HG GLU 89 -7.595 10.527 -2.247 695 H ALA 90 H ALA 90 -9.052 12.699 3.078 696 HA ALA 90 HA ALA 90 -9.857 10.341 4.596 697 1HB ALA 90 1HB ALA 90 -9.366 12.691 5.546 698 2HB ALA 90 2HB ALA 90 -10.952 13.151 4.922 699 3HB ALA 90 3HB ALA 90 -10.830 11.855 6.118 700 H LYS 91 H LYS 91 -10.898 11.318 1.663 701 HA LYS 91 HA LYS 91 -13.525 12.096 1.756 702 1HB LYS 91 1HB LYS 91 -12.256 12.169 -0.259 703 2HB LYS 91 2HB LYS 91 -12.083 10.421 -0.324 704 1HG LYS 91 1HG LYS 91 -14.245 10.078 -1.106 705 2HG LYS 91 2HG LYS 91 -14.895 11.479 -0.256 706 1HD LYS 91 1HD LYS 91 -14.978 11.884 -2.648 707 2HD LYS 91 2HD LYS 91 -13.875 13.010 -1.851 708 1HE LYS 91 1HE LYS 91 -12.006 11.275 -2.522 709 2HE LYS 91 2HE LYS 91 -13.220 10.641 -3.642 710 1HZ LYS 91 1HZ LYS 91 -12.081 13.361 -3.541 711 2HZ LYS 91 2HZ LYS 91 -11.909 12.271 -4.750 712 3HZ LYS 91 3HZ LYS 91 -13.370 12.984 -4.502 713 H LYS 92 H LYS 92 -15.218 11.229 2.690 714 HA LYS 92 HA LYS 92 -15.306 8.789 3.944 715 1HB LYS 92 1HB LYS 92 -17.797 9.084 3.958 716 2HB LYS 92 2HB LYS 92 -16.881 10.527 4.418 717 1HG LYS 92 1HG LYS 92 -17.321 11.153 1.824 718 2HG LYS 92 2HG LYS 92 -18.678 10.041 2.061 719 1HD LYS 92 1HD LYS 92 -19.377 11.411 4.060 720 2HD LYS 92 2HD LYS 92 -18.002 12.477 3.753 721 1HE LYS 92 1HE LYS 92 -19.805 13.626 2.852 722 2HE LYS 92 2HE LYS 92 -18.993 12.945 1.439 723 1HZ LYS 92 1HZ LYS 92 -21.326 11.673 2.749 724 2HZ LYS 92 2HZ LYS 92 -21.475 12.769 1.560 725 3HZ LYS 92 3HZ LYS 92 -20.735 11.370 1.211 726 H GLU 93 H GLU 93 -16.834 9.450 0.857 727 HA GLU 93 HA GLU 93 -17.560 6.814 0.210 728 1HB GLU 93 1HB GLU 93 -16.876 9.211 -1.515 729 2HB GLU 93 2HB GLU 93 -17.340 7.653 -2.229 730 1HG GLU 93 1HG GLU 93 -19.391 7.640 -0.744 731 2HG GLU 93 2HG GLU 93 -18.986 9.296 -0.262 732 H ASN 94 H ASN 94 -14.317 8.168 0.004 733 HA ASN 94 HA ASN 94 -13.300 5.977 -1.652 734 1HB ASN 94 1HB ASN 94 -11.816 8.032 0.022 735 2HB ASN 94 2HB ASN 94 -11.065 6.737 -0.891 736 1HD2 ASN 94 1HD2 ASN 94 -9.980 8.727 -1.830 737 2HD2 ASN 94 2HD2 ASN 94 -10.686 9.362 -3.282 738 H ILE 95 H ILE 95 -13.499 6.775 1.853 739 HA ILE 95 HA ILE 95 -12.232 4.354 2.758 740 HB ILE 95 HB ILE 95 -14.278 6.192 4.095 741 1HG1 ILE 95 1HG1 ILE 95 -12.251 6.231 5.785 742 2HG1 ILE 95 2HG1 ILE 95 -11.301 5.619 4.436 743 1HG2 ILE 95 1HG2 ILE 95 -13.099 3.631 5.238 744 2HG2 ILE 95 2HG2 ILE 95 -13.963 4.875 6.173 745 3HG2 ILE 95 3HG2 ILE 95 -14.819 3.970 4.942 746 1HD1 ILE 95 1HD1 ILE 95 -11.801 7.649 3.153 747 2HD1 ILE 95 2HD1 ILE 95 -12.999 8.165 4.367 748 3HD1 ILE 95 3HD1 ILE 95 -11.280 8.141 4.769 749 H ILE 96 H ILE 96 -15.706 5.082 2.074 750 HA ILE 96 HA ILE 96 -16.681 2.455 2.562 751 HB ILE 96 HB ILE 96 -17.704 4.732 0.852 752 1HG1 ILE 96 1HG1 ILE 96 -19.754 3.936 2.543 753 2HG1 ILE 96 2HG1 ILE 96 -18.363 3.483 3.503 754 1HG2 ILE 96 1HG2 ILE 96 -18.375 2.823 -0.485 755 2HG2 ILE 96 2HG2 ILE 96 -19.007 2.000 0.964 756 3HG2 ILE 96 3HG2 ILE 96 -19.762 3.486 0.347 757 1HD1 ILE 96 1HD1 ILE 96 -19.328 5.755 3.932 758 2HD1 ILE 96 2HD1 ILE 96 -17.595 5.750 3.596 759 3HD1 ILE 96 3HD1 ILE 96 -18.757 6.265 2.333 760 H ALA 97 H ALA 97 -15.693 3.877 -0.630 761 HA ALA 97 HA ALA 97 -16.093 1.552 -2.103 762 1HB ALA 97 1HB ALA 97 -15.748 3.666 -3.176 763 2HB ALA 97 2HB ALA 97 -14.141 3.841 -2.464 764 3HB ALA 97 3HB ALA 97 -14.434 2.592 -3.694 765 H ALA 98 H ALA 98 -13.154 2.555 -0.296 766 HA ALA 98 HA ALA 98 -11.485 0.390 -1.077 767 1HB ALA 98 1HB ALA 98 -11.593 1.889 1.583 768 2HB ALA 98 2HB ALA 98 -10.253 0.882 1.010 769 3HB ALA 98 3HB ALA 98 -10.670 2.372 0.157 770 H ALA 99 H ALA 99 -13.722 0.716 1.752 771 HA ALA 99 HA ALA 99 -13.182 -1.953 2.678 772 1HB ALA 99 1HB ALA 99 -15.558 -0.110 3.250 773 2HB ALA 99 2HB ALA 99 -15.036 -1.494 4.234 774 3HB ALA 99 3HB ALA 99 -14.004 -0.062 4.107 775 H GLN 100 H GLN 100 -15.487 -0.673 0.342 776 HA GLN 100 HA GLN 100 -17.148 -3.015 0.092 777 1HB GLN 100 1HB GLN 100 -16.536 -0.603 -1.672 778 2HB GLN 100 2HB GLN 100 -17.580 -1.893 -2.223 779 1HG GLN 100 1HG GLN 100 -18.078 -0.319 0.345 780 2HG GLN 100 2HG GLN 100 -18.778 0.093 -1.212 781 1HE2 GLN 100 1HE2 GLN 100 -19.574 -1.408 1.594 782 2HE2 GLN 100 2HE2 GLN 100 -20.458 -2.816 1.099 783 H ALA 101 H ALA 101 -14.352 -1.773 -1.869 784 HA ALA 101 HA ALA 101 -14.134 -4.014 -3.582 785 1HB ALA 101 1HB ALA 101 -11.858 -3.103 -3.960 786 2HB ALA 101 2HB ALA 101 -13.053 -1.783 -3.941 787 3HB ALA 101 3HB ALA 101 -12.037 -2.056 -2.534 788 H GLY 102 H GLY 102 -12.758 -3.311 -0.393 789 1HA GLY 102 1HA GLY 102 -12.450 -5.081 1.217 790 2HA GLY 102 2HA GLY 102 -11.963 -6.168 -0.093 791 H ALA 103 H ALA 103 -10.871 -2.799 0.379 792 HA ALA 103 HA ALA 103 -8.131 -3.408 -0.092 793 1HB ALA 103 1HB ALA 103 -7.657 -1.166 0.415 794 2HB ALA 103 2HB ALA 103 -9.344 -1.048 -0.107 795 3HB ALA 103 3HB ALA 103 -8.959 -1.039 1.615 796 H SER 104 H SER 104 -6.342 -3.752 1.402 797 HA SER 104 HA SER 104 -7.305 -5.174 3.703 798 1HB SER 104 1HB SER 104 -4.401 -4.784 2.994 799 2HB SER 104 2HB SER 104 -5.255 -6.185 3.683 800 HG SER 104 HG SER 104 -6.284 -6.507 1.720 801 H GLY 105 H GLY 105 -6.601 -1.907 3.197 802 1HA GLY 105 1HA GLY 105 -7.510 -1.346 5.693 803 2HA GLY 105 2HA GLY 105 -5.752 -1.193 5.866 804 H TYR 106 H TYR 106 -7.139 1.026 6.299 805 HA TYR 106 HA TYR 106 -6.459 2.737 3.991 806 1HB TYR 106 1HB TYR 106 -9.013 2.137 4.248 807 2HB TYR 106 2HB TYR 106 -8.972 3.224 5.624 808 HD1 TYR 106 1HD TYR 106 -7.933 5.688 5.087 809 HD2 TYR 106 2HD TYR 106 -9.465 2.940 2.143 810 HE1 TYR 106 1HE TYR 106 -8.260 7.542 3.493 811 HE2 TYR 106 2HE TYR 106 -9.884 4.834 0.590 812 HH TYR 106 HH TYR 106 -9.111 8.209 1.514 813 H VAL 107 H VAL 107 -5.244 4.439 4.641 814 HA VAL 107 HA VAL 107 -5.219 5.323 7.473 815 HB VAL 107 HB VAL 107 -2.931 4.678 5.559 816 1HG1 VAL 107 1HG1 VAL 107 -2.800 6.130 8.225 817 2HG1 VAL 107 2HG1 VAL 107 -1.400 5.475 7.332 818 3HG1 VAL 107 3HG1 VAL 107 -2.356 6.779 6.629 819 1HG2 VAL 107 1HG2 VAL 107 -2.136 3.209 7.341 820 2HG2 VAL 107 2HG2 VAL 107 -3.510 3.674 8.372 821 3HG2 VAL 107 3HG2 VAL 107 -3.774 2.761 6.860 822 H VAL 108 H VAL 108 -5.455 7.510 7.619 823 HA VAL 108 HA VAL 108 -5.005 9.141 5.178 824 HB VAL 108 HB VAL 108 -6.594 10.077 7.580 825 1HG1 VAL 108 1HG1 VAL 108 -7.559 11.618 5.939 826 2HG1 VAL 108 2HG1 VAL 108 -5.818 11.753 5.864 827 3HG1 VAL 108 3HG1 VAL 108 -6.672 10.836 4.611 828 1HG2 VAL 108 1HG2 VAL 108 -7.809 8.053 6.778 829 2HG2 VAL 108 2HG2 VAL 108 -8.696 9.547 6.472 830 3HG2 VAL 108 3HG2 VAL 108 -7.827 8.754 5.144 831 H LYS 109 H LYS 109 -3.722 10.956 5.490 832 HA LYS 109 HA LYS 109 -1.799 11.285 7.578 833 1HB LYS 109 1HB LYS 109 -1.942 12.482 5.333 834 2HB LYS 109 2HB LYS 109 -3.323 13.374 5.950 835 1HG LYS 109 1HG LYS 109 -1.511 14.847 6.144 836 2HG LYS 109 2HG LYS 109 -1.804 14.291 7.779 837 1HD LYS 109 1HD LYS 109 0.553 14.296 7.473 838 2HD LYS 109 2HD LYS 109 0.096 12.587 7.402 839 1HE LYS 109 1HE LYS 109 0.200 12.605 4.962 840 2HE LYS 109 2HE LYS 109 0.510 14.347 4.957 841 1HZ LYS 109 1HZ LYS 109 2.565 14.008 6.005 842 2HZ LYS 109 2HZ LYS 109 2.302 12.391 6.254 843 3HZ LYS 109 3HZ LYS 109 2.514 13.000 4.712 844 HA PRO 110 HA PRO 110 -0.918 12.609 9.258 845 1HB PRO 110 1HB PRO 110 -0.722 12.637 11.954 846 2HB PRO 110 2HB PRO 110 -1.106 14.098 10.995 847 1HG PRO 110 1HG PRO 110 -3.027 12.301 12.497 848 2HG PRO 110 2HG PRO 110 -2.976 14.091 12.446 849 1HD PRO 110 1HD PRO 110 -4.655 12.569 10.876 850 2HD PRO 110 2HD PRO 110 -4.019 14.157 10.362 851 H PHE 111 H PHE 111 0.372 10.743 9.243 852 HA PHE 111 HA PHE 111 -0.605 8.363 10.695 853 1HB PHE 111 1HB PHE 111 -0.318 6.957 8.811 854 2HB PHE 111 2HB PHE 111 -1.416 8.245 8.357 855 HD1 PHE 111 1HD PHE 111 -0.775 9.834 6.556 856 HD2 PHE 111 2HD PHE 111 1.909 6.737 7.876 857 HE1 PHE 111 1HE PHE 111 0.749 10.347 4.671 858 HE2 PHE 111 2HE PHE 111 3.372 7.216 5.948 859 HZ PHE 111 HZ PHE 111 2.839 9.052 4.377 860 H THR 112 H THR 112 1.020 6.740 11.014 861 HA THR 112 HA THR 112 3.801 7.651 11.274 862 HB THR 112 HB THR 112 3.270 7.058 13.794 863 HG1 THR 112 1HG THR 112 1.220 7.531 14.409 864 1HG2 THR 112 1HG2 THR 112 2.824 9.354 14.311 865 2HG2 THR 112 2HG2 THR 112 3.953 9.278 12.954 866 3HG2 THR 112 3HG2 THR 112 2.237 9.673 12.668 867 H ALA 113 H ALA 113 4.949 5.863 12.771 868 HA ALA 113 HA ALA 113 4.680 3.329 11.395 869 1HB ALA 113 1HB ALA 113 6.469 2.605 12.876 870 2HB ALA 113 2HB ALA 113 6.878 4.176 12.163 871 3HB ALA 113 3HB ALA 113 6.321 4.073 13.852 872 H ALA 114 H ALA 114 3.736 4.760 14.496 873 HA ALA 114 HA ALA 114 2.539 2.678 15.847 874 1HB ALA 114 1HB ALA 114 2.597 5.055 16.603 875 2HB ALA 114 2HB ALA 114 1.388 5.463 15.372 876 3HB ALA 114 3HB ALA 114 0.955 4.396 16.703 877 H THR 115 H THR 115 0.993 4.547 13.137 878 HA THR 115 HA THR 115 -1.302 2.745 13.254 879 HB THR 115 HB THR 115 -1.133 5.331 12.621 880 HG1 THR 115 1HG THR 115 -3.174 5.136 11.879 881 1HG2 THR 115 1HG2 THR 115 -1.306 4.037 9.871 882 2HG2 THR 115 2HG2 THR 115 -1.568 5.742 10.281 883 3HG2 THR 115 3HG2 THR 115 0.046 5.031 10.451 884 H LEU 116 H LEU 116 1.643 3.077 11.263 885 HA LEU 116 HA LEU 116 0.996 1.294 9.185 886 1HB LEU 116 1HB LEU 116 3.096 2.827 9.567 887 2HB LEU 116 2HB LEU 116 3.752 1.457 10.443 888 HG LEU 116 HG LEU 116 4.711 1.359 8.349 889 1HD1 LEU 116 1HD1 LEU 116 3.970 -0.704 7.351 890 2HD1 LEU 116 2HD1 LEU 116 3.796 -0.817 9.106 891 3HD1 LEU 116 3HD1 LEU 116 2.369 -0.546 8.065 892 1HD2 LEU 116 1HD2 LEU 116 2.009 1.712 6.997 893 2HD2 LEU 116 2HD2 LEU 116 3.298 2.935 7.123 894 3HD2 LEU 116 3HD2 LEU 116 3.573 1.459 6.195 895 H GLU 117 H GLU 117 2.694 0.564 12.306 896 HA GLU 117 HA GLU 117 2.822 -2.206 11.866 897 1HB GLU 117 1HB GLU 117 3.590 -2.426 14.060 898 2HB GLU 117 2HB GLU 117 4.250 -0.923 13.456 899 1HG GLU 117 1HG GLU 117 2.752 0.395 14.795 900 2HG GLU 117 2HG GLU 117 1.840 -1.034 15.279 901 H GLU 118 H GLU 118 0.221 -0.246 13.198 902 HA GLU 118 HA GLU 118 -1.289 -2.489 14.222 903 1HB GLU 118 1HB GLU 118 -1.798 -0.383 15.159 904 2HB GLU 118 2HB GLU 118 -1.981 0.402 13.578 905 1HG GLU 118 1HG GLU 118 -3.988 -0.749 13.088 906 2HG GLU 118 2HG GLU 118 -3.747 -1.924 14.397 907 H LYS 119 H LYS 119 -1.290 -0.691 11.072 908 HA LYS 119 HA LYS 119 -3.489 -2.272 10.020 909 1HB LYS 119 1HB LYS 119 -1.326 -0.752 8.541 910 2HB LYS 119 2HB LYS 119 -2.766 -1.454 7.800 911 1HG LYS 119 1HG LYS 119 -2.748 0.790 9.850 912 2HG LYS 119 2HG LYS 119 -2.949 0.956 8.120 913 1HD LYS 119 1HD LYS 119 -5.104 -0.269 8.245 914 2HD LYS 119 2HD LYS 119 -4.873 -0.455 10.002 915 1HE LYS 119 1HE LYS 119 -4.697 2.052 10.192 916 2HE LYS 119 2HE LYS 119 -5.096 2.172 8.474 917 1HZ LYS 119 1HZ LYS 119 -6.854 1.134 10.606 918 2HZ LYS 119 2HZ LYS 119 -7.026 2.529 9.785 919 3HZ LYS 119 3HZ LYS 119 -7.239 1.111 8.995 920 H LEU 120 H LEU 120 0.032 -2.669 10.057 921 HA LEU 120 HA LEU 120 0.228 -5.052 8.490 922 1HB LEU 120 1HB LEU 120 1.855 -4.091 10.860 923 2HB LEU 120 2HB LEU 120 2.219 -5.551 9.969 924 HG LEU 120 HG LEU 120 2.278 -2.736 8.855 925 1HD1 LEU 120 1HD1 LEU 120 4.719 -3.102 8.804 926 2HD1 LEU 120 2HD1 LEU 120 4.105 -3.323 10.453 927 3HD1 LEU 120 3HD1 LEU 120 4.492 -4.737 9.474 928 1HD2 LEU 120 1HD2 LEU 120 3.013 -5.374 7.537 929 2HD2 LEU 120 2HD2 LEU 120 1.696 -4.268 7.066 930 3HD2 LEU 120 3HD2 LEU 120 3.375 -3.763 6.875 931 H ASN 121 H ASN 121 -0.052 -4.706 12.094 932 HA ASN 121 HA ASN 121 -0.439 -7.414 12.703 933 1HB ASN 121 1HB ASN 121 -0.185 -5.973 14.540 934 2HB ASN 121 2HB ASN 121 -1.423 -4.855 13.975 935 1HD2 ASN 121 1HD2 ASN 121 -0.962 -8.002 15.636 936 2HD2 ASN 121 2HD2 ASN 121 -2.632 -8.133 16.139 937 H LYS 122 H LYS 122 -2.912 -5.032 11.715 938 HA LYS 122 HA LYS 122 -5.139 -6.736 11.765 939 1HB LYS 122 1HB LYS 122 -4.458 -4.184 10.525 940 2HB LYS 122 2HB LYS 122 -5.503 -5.132 9.469 941 1HG LYS 122 1HG LYS 122 -7.241 -5.227 11.027 942 2HG LYS 122 2HG LYS 122 -6.206 -4.801 12.400 943 1HD LYS 122 1HD LYS 122 -6.558 -2.844 10.115 944 2HD LYS 122 2HD LYS 122 -7.818 -2.967 11.341 945 1HE LYS 122 1HE LYS 122 -4.916 -2.617 12.146 946 2HE LYS 122 2HE LYS 122 -5.880 -1.228 11.638 947 1HZ LYS 122 1HZ LYS 122 -6.721 -3.022 13.839 948 2HZ LYS 122 2HZ LYS 122 -5.949 -1.595 14.074 949 3HZ LYS 122 3HZ LYS 122 -7.419 -1.604 13.405 950 H ILE 123 H ILE 123 -3.000 -6.242 8.835 951 HA ILE 123 HA ILE 123 -4.414 -8.428 7.529 952 HB ILE 123 HB ILE 123 -2.652 -8.229 5.754 953 1HG1 ILE 123 1HG1 ILE 123 -1.571 -6.117 7.633 954 2HG1 ILE 123 2HG1 ILE 123 -0.711 -7.455 6.896 955 1HG2 ILE 123 1HG2 ILE 123 -3.589 -6.183 4.940 956 2HG2 ILE 123 2HG2 ILE 123 -4.847 -7.083 5.788 957 3HG2 ILE 123 3HG2 ILE 123 -4.086 -5.674 6.571 958 1HD1 ILE 123 1HD1 ILE 123 -0.834 -6.307 4.725 959 2HD1 ILE 123 2HD1 ILE 123 -1.803 -4.989 5.450 960 3HD1 ILE 123 3HD1 ILE 123 -0.165 -5.242 5.990 961 H PHE 124 H PHE 124 -1.508 -8.402 9.541 962 HA PHE 124 HA PHE 124 -0.576 -10.996 8.861 963 1HB PHE 124 1HB PHE 124 -0.623 -9.575 11.532 964 2HB PHE 124 2HB PHE 124 0.240 -11.065 11.211 965 HD1 PHE 124 1HD PHE 124 1.580 -8.778 12.447 966 HD2 PHE 124 2HD PHE 124 1.145 -9.770 8.271 967 HE1 PHE 124 1HE PHE 124 3.629 -7.498 11.917 968 HE2 PHE 124 2HE PHE 124 3.181 -8.497 7.749 969 HZ PHE 124 HZ PHE 124 4.434 -7.342 9.569 970 H GLU 125 H GLU 125 -2.828 -9.960 11.476 971 HA GLU 125 HA GLU 125 -3.491 -12.654 12.064 972 1HB GLU 125 1HB GLU 125 -5.027 -10.120 12.677 973 2HB GLU 125 2HB GLU 125 -5.241 -11.654 13.519 974 1HG GLU 125 1HG GLU 125 -2.575 -10.166 13.533 975 2HG GLU 125 2HG GLU 125 -3.882 -9.798 14.651 976 H LYS 126 H LYS 126 -5.099 -10.209 10.084 977 HA LYS 126 HA LYS 126 -7.621 -11.593 9.746 978 1HB LYS 126 1HB LYS 126 -7.222 -9.106 9.507 979 2HB LYS 126 2HB LYS 126 -6.482 -9.415 7.948 980 1HG LYS 126 1HG LYS 126 -9.355 -9.529 8.826 981 2HG LYS 126 2HG LYS 126 -8.619 -8.646 7.501 982 1HD LYS 126 1HD LYS 126 -8.297 -11.120 6.490 983 2HD LYS 126 2HD LYS 126 -9.595 -11.479 7.610 984 1HE LYS 126 1HE LYS 126 -9.614 -9.465 5.324 985 2HE LYS 126 2HE LYS 126 -10.426 -11.027 5.377 986 1HZ LYS 126 1HZ LYS 126 -11.662 -10.029 7.388 987 2HZ LYS 126 2HZ LYS 126 -11.139 -8.577 6.850 988 3HZ LYS 126 3HZ LYS 126 -12.071 -9.502 5.885 989 H LEU 127 H LEU 127 -5.065 -10.913 7.252 990 HA LEU 127 HA LEU 127 -6.206 -12.874 5.480 991 1HB LEU 127 1HB LEU 127 -3.418 -11.717 5.268 992 2HB LEU 127 2HB LEU 127 -4.448 -12.331 3.993 993 HG LEU 127 HG LEU 127 -4.568 -9.644 5.403 994 1HD1 LEU 127 1HD1 LEU 127 -4.536 -10.403 2.463 995 2HD1 LEU 127 2HD1 LEU 127 -4.466 -8.763 3.131 996 3HD1 LEU 127 3HD1 LEU 127 -3.130 -9.899 3.403 997 1HD2 LEU 127 1HD2 LEU 127 -6.658 -9.373 3.776 998 2HD2 LEU 127 2HD2 LEU 127 -6.847 -11.089 4.110 999 3HD2 LEU 127 3HD2 LEU 127 -6.817 -9.928 5.453 1000 H GLY 128 H GLY 128 -3.653 -12.883 7.950 1001 1HA GLY 128 1HA GLY 128 -2.478 -14.771 8.755 1002 2HA GLY 128 2HA GLY 128 -2.838 -15.648 7.270 1003 H MET 129 H MET 129 -1.764 -12.153 7.324 1004 HA MET 129 HA MET 129 0.461 -12.933 5.523 1005 1HB MET 129 2HB MET 129 -0.405 -10.260 6.653 1006 2HB MET 129 3HB MET 129 1.145 -10.482 5.862 1007 1HG MET 129 2HG MET 129 -1.554 -11.016 4.614 1008 2HG MET 129 3HG MET 129 -0.565 -9.592 4.343 1009 1HE MET 129 1HE MET 129 2.430 -11.090 2.205 1010 2HE MET 129 2HE MET 129 1.770 -9.627 2.958 1011 3HE MET 129 3HE MET 129 2.429 -10.936 3.973 Start of MODEL 6 1 1H MET 1 H MET 1 20.831 -17.646 5.714 2 2H MET 1 2HN MET 1 20.334 -16.383 4.782 3 3H MET 1 3HN MET 1 19.362 -17.695 4.972 4 HA MET 1 HA MET 1 22.009 -17.829 3.743 5 1HB MET 1 2HB MET 1 19.634 -19.716 3.696 6 2HB MET 1 3HB MET 1 21.049 -19.889 2.652 7 1HG MET 1 2HG MET 1 22.494 -20.122 4.639 8 2HG MET 1 3HG MET 1 21.094 -19.905 5.693 9 1HE MET 1 1HE MET 1 22.382 -22.238 6.680 10 2HE MET 1 2HE MET 1 20.653 -21.988 7.030 11 3HE MET 1 3HE MET 1 21.238 -23.583 6.520 12 H ALA 2 H ALA 2 18.965 -18.610 2.013 13 HA ALA 2 HA ALA 2 19.006 -16.043 0.569 14 1HB ALA 2 1HB ALA 2 16.914 -16.780 -0.363 15 2HB ALA 2 2HB ALA 2 18.023 -18.161 -0.463 16 3HB ALA 2 3HB ALA 2 16.772 -18.101 0.798 17 H ASP 3 H ASP 3 17.258 -14.550 1.029 18 HA ASP 3 HA ASP 3 15.787 -14.892 3.591 19 1HB ASP 3 1HB ASP 3 16.618 -12.296 2.214 20 2HB ASP 3 2HB ASP 3 15.387 -12.401 3.464 21 H LYS 4 H LYS 4 13.510 -13.838 3.234 22 HA LYS 4 HA LYS 4 12.395 -15.144 0.994 23 1HB LYS 4 1HB LYS 4 11.279 -14.660 3.171 24 2HB LYS 4 2HB LYS 4 11.139 -12.946 2.720 25 1HG LYS 4 1HG LYS 4 9.650 -13.450 0.942 26 2HG LYS 4 2HG LYS 4 10.163 -15.147 0.917 27 1HD LYS 4 1HD LYS 4 9.003 -15.504 3.099 28 2HD LYS 4 2HD LYS 4 8.456 -13.820 3.061 29 1HE LYS 4 1HE LYS 4 6.721 -15.406 2.203 30 2HE LYS 4 2HE LYS 4 7.210 -14.218 0.987 31 1HZ LYS 4 1HZ LYS 4 8.245 -16.988 1.128 32 2HZ LYS 4 2HZ LYS 4 7.121 -16.435 0.032 33 3HZ LYS 4 3HZ LYS 4 8.635 -15.863 -0.012 34 H GLU 5 H GLU 5 13.900 -12.098 1.147 35 HA GLU 5 HA GLU 5 13.864 -10.184 -0.009 36 1HB GLU 5 1HB GLU 5 14.741 -12.257 -1.634 37 2HB GLU 5 2HB GLU 5 13.585 -11.436 -2.672 38 1HG GLU 5 1HG GLU 5 15.643 -10.358 -3.090 39 2HG GLU 5 2HG GLU 5 14.809 -9.243 -2.023 40 H LEU 6 H LEU 6 11.532 -10.723 1.074 41 HA LEU 6 HA LEU 6 9.178 -10.436 -0.585 42 1HB LEU 6 1HB LEU 6 9.200 -11.385 1.746 43 2HB LEU 6 2HB LEU 6 9.591 -9.792 2.371 44 HG LEU 6 HG LEU 6 7.357 -9.442 0.597 45 1HD1 LEU 6 1HD1 LEU 6 6.951 -11.835 0.723 46 2HD1 LEU 6 2HD1 LEU 6 6.968 -11.769 2.499 47 3HD1 LEU 6 3HD1 LEU 6 5.674 -10.964 1.595 48 1HD2 LEU 6 1HD2 LEU 6 7.814 -8.079 2.573 49 2HD2 LEU 6 2HD2 LEU 6 6.162 -8.724 2.603 50 3HD2 LEU 6 3HD2 LEU 6 7.418 -9.450 3.630 51 H LYS 7 H LYS 7 8.893 -8.606 -1.789 52 HA LYS 7 HA LYS 7 10.106 -6.083 -0.892 53 1HB LYS 7 1HB LYS 7 10.133 -7.161 -3.305 54 2HB LYS 7 2HB LYS 7 8.541 -6.442 -3.441 55 1HG LYS 7 1HG LYS 7 9.711 -4.614 -4.175 56 2HG LYS 7 2HG LYS 7 9.953 -4.283 -2.463 57 1HD LYS 7 1HD LYS 7 12.140 -4.173 -3.352 58 2HD LYS 7 2HD LYS 7 12.068 -5.831 -2.720 59 1HE LYS 7 1HE LYS 7 11.164 -6.401 -5.158 60 2HE LYS 7 2HE LYS 7 11.846 -4.818 -5.574 61 1HZ LYS 7 1HZ LYS 7 13.210 -7.259 -4.721 62 2HZ LYS 7 2HZ LYS 7 13.557 -6.229 -5.982 63 3HZ LYS 7 3HZ LYS 7 13.932 -5.803 -4.436 64 H PHE 8 H PHE 8 9.013 -4.316 -0.191 65 HA PHE 8 HA PHE 8 6.044 -4.250 -0.137 66 1HB PHE 8 1HB PHE 8 8.317 -2.894 1.347 67 2HB PHE 8 2HB PHE 8 6.813 -2.019 1.120 68 HD1 PHE 8 1HD PHE 8 5.200 -2.152 2.715 69 HD2 PHE 8 2HD PHE 8 7.981 -5.421 2.323 70 HE1 PHE 8 1HE PHE 8 4.116 -3.299 4.634 71 HE2 PHE 8 2HE PHE 8 6.877 -6.567 4.233 72 HZ PHE 8 HZ PHE 8 4.942 -5.521 5.365 73 H LEU 9 H LEU 9 5.367 -3.530 -2.219 74 HA LEU 9 HA LEU 9 6.903 -1.427 -3.559 75 1HB LEU 9 1HB LEU 9 5.309 -3.050 -4.788 76 2HB LEU 9 2HB LEU 9 3.992 -2.193 -4.006 77 HG LEU 9 HG LEU 9 4.820 -0.057 -5.042 78 1HD1 LEU 9 1HD1 LEU 9 6.382 -0.215 -6.978 79 2HD1 LEU 9 2HD1 LEU 9 7.164 -0.515 -5.456 80 3HD1 LEU 9 3HD1 LEU 9 6.768 -1.886 -6.519 81 1HD2 LEU 9 1HD2 LEU 9 4.038 -0.589 -7.298 82 2HD2 LEU 9 2HD2 LEU 9 4.207 -2.329 -6.957 83 3HD2 LEU 9 3HD2 LEU 9 3.021 -1.346 -6.063 84 H VAL 10 H VAL 10 6.628 0.765 -3.208 85 HA VAL 10 HA VAL 10 4.277 1.625 -1.588 86 HB VAL 10 HB VAL 10 7.065 2.803 -1.361 87 1HG1 VAL 10 1HG1 VAL 10 5.212 4.358 -0.831 88 2HG1 VAL 10 2HG1 VAL 10 4.495 3.166 0.267 89 3HG1 VAL 10 3HG1 VAL 10 6.065 3.905 0.653 90 1HG2 VAL 10 1HG2 VAL 10 5.674 0.846 0.526 91 2HG2 VAL 10 2HG2 VAL 10 7.197 0.586 -0.351 92 3HG2 VAL 10 3HG2 VAL 10 7.127 1.789 0.935 93 H VAL 11 H VAL 11 3.023 2.589 -3.094 94 HA VAL 11 HA VAL 11 4.307 4.364 -5.130 95 HB VAL 11 HB VAL 11 1.518 3.139 -5.300 96 1HG1 VAL 11 1HG1 VAL 11 3.386 4.285 -7.412 97 2HG1 VAL 11 2HG1 VAL 11 1.758 3.627 -7.662 98 3HG1 VAL 11 3HG1 VAL 11 1.982 5.113 -6.732 99 1HG2 VAL 11 1HG2 VAL 11 2.670 1.525 -6.901 100 2HG2 VAL 11 2HG2 VAL 11 4.205 2.022 -6.187 101 3HG2 VAL 11 3HG2 VAL 11 2.940 1.237 -5.194 102 H ASP 12 H ASP 12 4.472 6.223 -3.876 103 HA ASP 12 HA ASP 12 1.977 7.229 -2.649 104 1HB ASP 12 1HB ASP 12 3.112 8.523 -1.292 105 2HB ASP 12 2HB ASP 12 4.245 7.176 -1.354 106 H ASP 13 H ASP 13 1.463 9.484 -3.082 107 HA ASP 13 HA ASP 13 1.531 9.902 -5.962 108 1HB ASP 13 1HB ASP 13 -0.373 11.151 -5.613 109 2HB ASP 13 2HB ASP 13 -0.510 9.928 -4.356 110 H PHE 14 H PHE 14 3.506 10.894 -3.445 111 HA PHE 14 HA PHE 14 3.812 13.694 -4.374 112 1HB PHE 14 1HB PHE 14 2.435 13.422 -2.394 113 2HB PHE 14 2HB PHE 14 3.593 12.344 -1.666 114 HD1 PHE 14 1HD PHE 14 3.891 13.374 0.356 115 HD2 PHE 14 2HD PHE 14 4.354 15.699 -3.231 116 HE1 PHE 14 1HE PHE 14 4.734 15.289 1.715 117 HE2 PHE 14 2HE PHE 14 5.287 17.553 -1.890 118 HZ PHE 14 HZ PHE 14 5.438 17.371 0.582 119 H SER 15 H SER 15 5.522 10.796 -4.120 120 HA SER 15 HA SER 15 7.598 10.103 -4.001 121 1HB SER 15 1HB SER 15 8.336 11.948 -5.444 122 2HB SER 15 2HB SER 15 8.507 13.008 -4.038 123 HG SER 15 HG SER 15 9.987 10.747 -4.772 124 H THR 16 H THR 16 7.258 13.051 -1.968 125 HA THR 16 HA THR 16 8.921 12.098 0.100 126 HB THR 16 HB THR 16 6.813 14.251 -0.046 127 HG1 THR 16 1HG THR 16 9.309 13.967 -0.968 128 1HG2 THR 16 1HG2 THR 16 7.920 15.320 1.896 129 2HG2 THR 16 2HG2 THR 16 7.165 13.797 2.335 130 3HG2 THR 16 3HG2 THR 16 8.924 13.860 2.111 131 H MET 17 H MET 17 5.454 11.331 -0.500 132 HA MET 17 HA MET 17 5.090 10.522 2.287 133 1HB MET 17 1HB MET 17 3.321 10.910 0.015 134 2HB MET 17 2HB MET 17 3.164 9.288 0.674 135 1HG MET 17 1HG MET 17 1.574 10.584 1.712 136 2HG MET 17 2HG MET 17 2.798 10.181 2.908 137 1HE MET 17 1HE MET 17 4.327 13.741 3.740 138 2HE MET 17 2HE MET 17 4.380 12.004 4.103 139 3HE MET 17 3HE MET 17 5.032 12.642 2.567 140 H ARG 18 H ARG 18 6.444 9.027 -0.692 141 HA ARG 18 HA ARG 18 6.305 6.366 0.523 142 1HB ARG 18 1HB ARG 18 6.718 6.330 -1.844 143 2HB ARG 18 2HB ARG 18 8.075 7.452 -1.697 144 1HG ARG 18 1HG ARG 18 9.389 5.750 -0.442 145 2HG ARG 18 2HG ARG 18 8.012 4.659 -0.465 146 1HD ARG 18 1HD ARG 18 9.592 3.928 -2.088 147 2HD ARG 18 2HD ARG 18 8.219 4.591 -2.963 148 HE ARG 18 HE ARG 18 9.455 6.552 -3.485 149 1HH1 ARG 18 2HH2 ARG 18 11.573 3.910 -2.496 150 2HH1 ARG 18 1HH2 ARG 18 13.025 4.755 -2.949 151 1HH2 ARG 18 2HH1 ARG 18 11.250 7.684 -3.844 152 2HH2 ARG 18 1HH1 ARG 18 12.838 6.978 -3.882 153 H ARG 19 H ARG 19 8.617 9.101 0.460 154 HA ARG 19 HA ARG 19 10.664 7.798 1.968 155 1HB ARG 19 1HB ARG 19 9.917 10.666 1.476 156 2HB ARG 19 2HB ARG 19 10.814 10.332 2.940 157 1HG ARG 19 1HG ARG 19 12.445 10.794 1.438 158 2HG ARG 19 2HG ARG 19 12.486 9.038 1.510 159 1HD ARG 19 1HD ARG 19 11.415 8.837 -0.662 160 2HD ARG 19 2HD ARG 19 11.046 10.566 -0.709 161 HE ARG 19 HE ARG 19 13.605 9.280 -1.287 162 1HH1 ARG 19 2HH2 ARG 19 12.024 12.402 -0.848 163 2HH1 ARG 19 1HH2 ARG 19 13.468 13.284 -0.486 164 1HH2 ARG 19 2HH1 ARG 19 15.648 10.503 -0.964 165 2HH2 ARG 19 1HH1 ARG 19 15.530 12.185 -0.651 166 H ILE 20 H ILE 20 7.777 9.590 3.142 167 HA ILE 20 HA ILE 20 8.260 9.064 5.874 168 HB ILE 20 HB ILE 20 5.825 9.864 4.312 169 1HG1 ILE 20 1HG1 ILE 20 5.826 11.668 6.078 170 2HG1 ILE 20 2HG1 ILE 20 7.268 10.950 6.787 171 1HG2 ILE 20 1HG2 ILE 20 4.841 8.222 5.836 172 2HG2 ILE 20 2HG2 ILE 20 5.709 8.920 7.212 173 3HG2 ILE 20 3HG2 ILE 20 4.434 9.833 6.378 174 1HD1 ILE 20 1HD1 ILE 20 7.018 12.173 4.015 175 2HD1 ILE 20 2HD1 ILE 20 7.814 12.904 5.402 176 3HD1 ILE 20 3HD1 ILE 20 8.518 11.461 4.671 177 H VAL 21 H VAL 21 5.932 7.229 3.753 178 HA VAL 21 HA VAL 21 5.384 5.221 5.575 179 HB VAL 21 HB VAL 21 5.458 5.149 2.535 180 1HG1 VAL 21 1HG1 VAL 21 5.533 2.806 3.247 181 2HG1 VAL 21 2HG1 VAL 21 4.244 3.088 4.439 182 3HG1 VAL 21 3HG1 VAL 21 3.906 3.191 2.696 183 1HG2 VAL 21 1HG2 VAL 21 3.134 5.375 4.497 184 2HG2 VAL 21 2HG2 VAL 21 3.828 6.738 3.590 185 3HG2 VAL 21 3HG2 VAL 21 3.027 5.434 2.727 186 H ARG 22 H ARG 22 8.032 5.167 3.167 187 HA ARG 22 HA ARG 22 9.144 2.632 3.790 188 1HB ARG 22 1HB ARG 22 9.741 4.027 1.815 189 2HB ARG 22 2HB ARG 22 10.502 5.210 2.893 190 1HG ARG 22 1HG ARG 22 12.120 3.383 3.623 191 2HG ARG 22 2HG ARG 22 11.385 2.337 2.427 192 1HD ARG 22 1HD ARG 22 11.997 3.938 0.626 193 2HD ARG 22 2HD ARG 22 12.578 5.096 1.823 194 HE ARG 22 HE ARG 22 14.315 3.409 2.467 195 1HH1 ARG 22 2HH2 ARG 22 12.977 2.963 -0.838 196 2HH1 ARG 22 1HH2 ARG 22 14.510 2.491 -1.455 197 1HH2 ARG 22 2HH1 ARG 22 16.236 2.909 1.585 198 2HH2 ARG 22 1HH1 ARG 22 16.428 2.444 -0.067 199 H ASN 23 H ASN 23 9.827 5.910 5.210 200 HA ASN 23 HA ASN 23 11.797 4.905 7.028 201 1HB ASN 23 1HB ASN 23 11.668 7.294 6.568 202 2HB ASN 23 2HB ASN 23 10.028 7.375 7.177 203 1HD2 ASN 23 1HD2 ASN 23 9.751 7.749 9.387 204 2HD2 ASN 23 2HD2 ASN 23 11.008 7.624 10.589 205 H LEU 24 H LEU 24 8.241 5.172 7.287 206 HA LEU 24 HA LEU 24 8.164 4.354 10.055 207 1HB LEU 24 1HB LEU 24 5.981 4.072 7.958 208 2HB LEU 24 2HB LEU 24 5.786 3.971 9.710 209 HG LEU 24 HG LEU 24 6.690 6.455 8.229 210 1HD1 LEU 24 1HD1 LEU 24 4.452 6.017 7.603 211 2HD1 LEU 24 2HD1 LEU 24 3.960 5.794 9.289 212 3HD1 LEU 24 3HD1 LEU 24 4.497 7.393 8.698 213 1HD2 LEU 24 1HD2 LEU 24 7.645 6.657 10.326 214 2HD2 LEU 24 2HD2 LEU 24 6.117 7.537 10.489 215 3HD2 LEU 24 3HD2 LEU 24 6.306 5.882 11.124 216 H LEU 25 H LEU 25 8.162 2.533 6.977 217 HA LEU 25 HA LEU 25 7.871 -0.056 8.214 218 1HB LEU 25 1HB LEU 25 9.031 0.853 5.557 219 2HB LEU 25 2HB LEU 25 9.000 -0.835 6.025 220 HG LEU 25 HG LEU 25 6.437 0.779 6.130 221 1HD1 LEU 25 1HD1 LEU 25 5.914 0.139 3.838 222 2HD1 LEU 25 2HD1 LEU 25 7.332 1.186 3.888 223 3HD1 LEU 25 3HD1 LEU 25 7.535 -0.568 3.637 224 1HD2 LEU 25 1HD2 LEU 25 6.992 -2.160 5.506 225 2HD2 LEU 25 2HD2 LEU 25 6.501 -1.534 7.089 226 3HD2 LEU 25 3HD2 LEU 25 5.400 -1.395 5.720 227 H LYS 26 H LYS 26 10.747 2.013 7.544 228 HA LYS 26 HA LYS 26 12.566 -0.010 8.573 229 1HB LYS 26 1HB LYS 26 12.902 3.009 8.291 230 2HB LYS 26 2HB LYS 26 14.194 1.906 8.705 231 1HG LYS 26 1HG LYS 26 12.628 1.877 6.096 232 2HG LYS 26 2HG LYS 26 14.214 2.564 6.311 233 1HD LYS 26 1HD LYS 26 13.543 -0.410 6.594 234 2HD LYS 26 2HD LYS 26 14.174 0.388 5.165 235 1HE LYS 26 1HE LYS 26 16.119 -0.418 6.014 236 2HE LYS 26 2HE LYS 26 16.126 1.209 6.703 237 1HZ LYS 26 1HZ LYS 26 15.393 0.256 8.799 238 2HZ LYS 26 2HZ LYS 26 15.261 -1.255 8.133 239 3HZ LYS 26 3HZ LYS 26 16.709 -0.531 8.300 240 H GLU 27 H GLU 27 10.614 2.516 10.114 241 HA GLU 27 HA GLU 27 11.838 2.393 12.688 242 1HB GLU 27 1HB GLU 27 9.072 3.199 11.725 243 2HB GLU 27 2HB GLU 27 9.508 3.270 13.410 244 1HG GLU 27 1HG GLU 27 11.334 4.641 11.430 245 2HG GLU 27 2HG GLU 27 9.768 5.365 11.805 246 H LEU 28 H LEU 28 8.876 0.697 11.427 247 HA LEU 28 HA LEU 28 9.380 -1.573 13.196 248 1HB LEU 28 1HB LEU 28 7.114 -1.336 14.307 249 2HB LEU 28 2HB LEU 28 8.421 -0.327 14.873 250 HG LEU 28 HG LEU 28 7.533 1.642 13.763 251 1HD1 LEU 28 1HD1 LEU 28 6.439 0.774 11.798 252 2HD1 LEU 28 2HD1 LEU 28 5.290 -0.152 12.778 253 3HD1 LEU 28 3HD1 LEU 28 5.245 1.622 12.783 254 1HD2 LEU 28 1HD2 LEU 28 5.394 1.765 15.147 255 2HD2 LEU 28 2HD2 LEU 28 5.629 0.055 15.501 256 3HD2 LEU 28 3HD2 LEU 28 6.850 1.236 16.008 257 H GLY 29 H GLY 29 9.458 -1.637 10.505 258 1HA GLY 29 1HA GLY 29 7.265 -3.528 9.985 259 2HA GLY 29 2HA GLY 29 7.560 -2.230 8.819 260 H PHE 30 H PHE 30 9.263 -2.556 7.295 261 HA PHE 30 HA PHE 30 10.938 -4.962 7.653 262 1HB PHE 30 1HB PHE 30 9.009 -4.449 5.350 263 2HB PHE 30 2HB PHE 30 10.228 -5.700 5.364 264 HD1 PHE 30 1HD PHE 30 9.885 -7.823 6.462 265 HD2 PHE 30 2HD PHE 30 7.023 -4.624 6.901 266 HE1 PHE 30 1HE PHE 30 8.235 -9.428 7.340 267 HE2 PHE 30 2HE PHE 30 5.358 -6.240 7.732 268 HZ PHE 30 HZ PHE 30 5.952 -8.667 7.948 269 H ASN 31 H ASN 31 12.591 -5.119 6.124 270 HA ASN 31 HA ASN 31 13.459 -2.657 4.710 271 1HB ASN 31 1HB ASN 31 15.529 -3.718 4.328 272 2HB ASN 31 2HB ASN 31 15.149 -4.075 5.996 273 1HD2 ASN 31 1HD2 ASN 31 14.814 -6.291 6.589 274 2HD2 ASN 31 2HD2 ASN 31 15.048 -7.615 5.465 275 H ASN 32 H ASN 32 14.340 -3.353 2.379 276 HA ASN 32 HA ASN 32 13.816 -3.727 0.240 277 1HB ASN 32 1HB ASN 32 12.605 -6.229 1.384 278 2HB ASN 32 2HB ASN 32 12.366 -5.818 -0.301 279 1HD2 ASN 32 1HD2 ASN 32 13.749 -8.072 0.781 280 2HD2 ASN 32 2HD2 ASN 32 15.324 -8.061 -0.031 281 H VAL 33 H VAL 33 12.747 -1.767 0.307 282 HA VAL 33 HA VAL 33 9.854 -2.016 -0.231 283 HB VAL 33 HB VAL 33 10.012 0.530 -0.306 284 1HG1 VAL 33 1HG1 VAL 33 10.522 -0.831 2.377 285 2HG1 VAL 33 2HG1 VAL 33 9.804 0.781 2.127 286 3HG1 VAL 33 3HG1 VAL 33 8.958 -0.651 1.560 287 1HG2 VAL 33 1HG2 VAL 33 11.847 1.648 0.493 288 2HG2 VAL 33 2HG2 VAL 33 12.499 0.265 1.415 289 3HG2 VAL 33 3HG2 VAL 33 12.655 0.357 -0.354 290 H GLU 34 H GLU 34 9.199 -0.756 -2.269 291 HA GLU 34 HA GLU 34 11.321 -0.053 -4.097 292 1HB GLU 34 1HB GLU 34 10.255 -2.494 -4.592 293 2HB GLU 34 2HB GLU 34 9.075 -1.524 -5.421 294 1HG GLU 34 1HG GLU 34 10.755 -2.175 -7.014 295 2HG GLU 34 2HG GLU 34 10.927 -0.444 -6.743 296 H GLU 35 H GLU 35 9.877 0.998 -6.208 297 HA GLU 35 HA GLU 35 7.670 2.572 -5.109 298 1HB GLU 35 1HB GLU 35 9.897 3.857 -4.898 299 2HB GLU 35 2HB GLU 35 9.981 3.805 -6.651 300 1HG GLU 35 1HG GLU 35 7.717 4.990 -6.687 301 2HG GLU 35 2HG GLU 35 7.862 5.204 -4.960 302 H ALA 36 H ALA 36 6.403 3.491 -6.933 303 HA ALA 36 HA ALA 36 7.081 2.670 -9.629 304 1HB ALA 36 1HB ALA 36 4.863 1.947 -10.173 305 2HB ALA 36 2HB ALA 36 5.302 1.019 -8.738 306 3HB ALA 36 3HB ALA 36 4.219 2.425 -8.610 307 H GLU 37 H GLU 37 6.078 4.255 -11.137 308 HA GLU 37 HA GLU 37 6.060 6.876 -9.985 309 1HB GLU 37 1HB GLU 37 5.189 5.964 -12.769 310 2HB GLU 37 2HB GLU 37 5.458 7.627 -12.238 311 1HG GLU 37 1HG GLU 37 7.845 6.616 -11.519 312 2HG GLU 37 2HG GLU 37 7.457 5.445 -12.764 313 H ASP 38 H ASP 38 3.426 4.602 -10.456 314 HA ASP 38 HA ASP 38 1.400 6.317 -9.415 315 1HB ASP 38 1HB ASP 38 1.645 6.042 -12.433 316 2HB ASP 38 2HB ASP 38 0.040 5.975 -11.727 317 H GLY 39 H GLY 39 -0.696 5.016 -9.460 318 1HA GLY 39 1HA GLY 39 -0.634 2.305 -9.056 319 2HA GLY 39 2HA GLY 39 -2.034 3.147 -9.708 320 H VAL 40 H VAL 40 -0.861 3.899 -12.254 321 HA VAL 40 HA VAL 40 -1.373 1.684 -13.915 322 HB VAL 40 HB VAL 40 0.479 4.062 -14.451 323 1HG1 VAL 40 1HG1 VAL 40 0.648 2.304 -16.189 324 2HG1 VAL 40 2HG1 VAL 40 -1.116 2.348 -16.405 325 3HG1 VAL 40 3HG1 VAL 40 -0.111 3.760 -16.809 326 1HG2 VAL 40 1HG2 VAL 40 -2.526 3.824 -14.764 327 2HG2 VAL 40 2HG2 VAL 40 -1.629 4.967 -13.722 328 3HG2 VAL 40 3HG2 VAL 40 -1.513 5.102 -15.478 329 H ASP 41 H ASP 41 1.699 3.012 -12.729 330 HA ASP 41 HA ASP 41 3.388 1.031 -13.995 331 1HB ASP 41 1HB ASP 41 4.007 3.435 -13.553 332 2HB ASP 41 2HB ASP 41 3.951 3.111 -11.838 333 H ALA 42 H ALA 42 1.717 1.446 -10.884 334 HA ALA 42 HA ALA 42 3.269 -0.288 -9.291 335 1HB ALA 42 1HB ALA 42 1.410 -0.261 -7.774 336 2HB ALA 42 2HB ALA 42 1.382 1.336 -8.576 337 3HB ALA 42 3HB ALA 42 0.250 0.070 -9.055 338 H LEU 43 H LEU 43 0.309 -0.837 -11.218 339 HA LEU 43 HA LEU 43 0.132 -3.627 -10.779 340 1HB LEU 43 1HB LEU 43 -1.571 -2.020 -11.875 341 2HB LEU 43 2HB LEU 43 -0.607 -2.181 -13.344 342 HG LEU 43 HG LEU 43 -0.932 -4.758 -13.035 343 1HD1 LEU 43 1HD1 LEU 43 -2.932 -5.455 -11.828 344 2HD1 LEU 43 2HD1 LEU 43 -1.790 -4.715 -10.706 345 3HD1 LEU 43 3HD1 LEU 43 -3.202 -3.789 -11.257 346 1HD2 LEU 43 1HD2 LEU 43 -3.160 -4.618 -14.140 347 2HD2 LEU 43 2HD2 LEU 43 -3.231 -2.891 -13.712 348 3HD2 LEU 43 3HD2 LEU 43 -1.970 -3.486 -14.804 349 H ASN 44 H ASN 44 2.059 -1.746 -13.120 350 HA ASN 44 HA ASN 44 3.012 -4.058 -14.558 351 1HB ASN 44 1HB ASN 44 3.041 -1.788 -15.561 352 2HB ASN 44 2HB ASN 44 4.256 -1.283 -14.376 353 1HD2 ASN 44 1HD2 ASN 44 3.741 -4.106 -16.614 354 2HD2 ASN 44 2HD2 ASN 44 5.415 -4.182 -17.113 355 H LYS 45 H LYS 45 4.274 -2.293 -11.677 356 HA LYS 45 HA LYS 45 6.657 -3.940 -11.432 357 1HB LYS 45 1HB LYS 45 5.070 -2.818 -9.088 358 2HB LYS 45 2HB LYS 45 6.740 -3.338 -9.103 359 1HG LYS 45 1HG LYS 45 5.554 -0.824 -10.256 360 2HG LYS 45 2HG LYS 45 6.737 -0.989 -8.977 361 1HD LYS 45 1HD LYS 45 8.454 -1.696 -10.544 362 2HD LYS 45 2HD LYS 45 7.260 -1.647 -11.880 363 1HE LYS 45 1HE LYS 45 6.837 0.785 -11.088 364 2HE LYS 45 2HE LYS 45 8.391 0.663 -10.255 365 1HZ LYS 45 1HZ LYS 45 7.955 0.197 -13.155 366 2HZ LYS 45 2HZ LYS 45 8.398 1.605 -12.547 367 3HZ LYS 45 3HZ LYS 45 9.437 0.336 -12.416 368 H LEU 46 H LEU 46 3.265 -4.308 -10.327 369 HA LEU 46 HA LEU 46 3.794 -6.575 -8.761 370 1HB LEU 46 1HB LEU 46 1.302 -5.370 -9.939 371 2HB LEU 46 2HB LEU 46 1.211 -7.059 -9.500 372 HG LEU 46 HG LEU 46 0.400 -5.818 -7.658 373 1HD1 LEU 46 1HD1 LEU 46 3.201 -6.637 -6.848 374 2HD1 LEU 46 2HD1 LEU 46 1.745 -6.736 -5.896 375 3HD1 LEU 46 3HD1 LEU 46 1.911 -7.801 -7.273 376 1HD2 LEU 46 1HD2 LEU 46 1.934 -4.238 -6.381 377 2HD2 LEU 46 2HD2 LEU 46 2.990 -4.226 -7.774 378 3HD2 LEU 46 3HD2 LEU 46 1.314 -3.630 -7.913 379 H GLN 47 H GLN 47 2.996 -6.353 -12.198 380 HA GLN 47 HA GLN 47 3.098 -9.209 -12.634 381 1HB GLN 47 1HB GLN 47 3.202 -6.843 -14.542 382 2HB GLN 47 2HB GLN 47 3.203 -8.543 -15.048 383 1HG GLN 47 1HG GLN 47 1.092 -8.895 -13.723 384 2HG GLN 47 2HG GLN 47 1.024 -7.154 -13.428 385 1HE2 GLN 47 1HE2 GLN 47 -1.007 -6.868 -14.591 386 2HE2 GLN 47 2HE2 GLN 47 -1.150 -7.202 -16.291 387 H ALA 48 H ALA 48 5.657 -7.443 -11.546 388 HA ALA 48 HA ALA 48 7.726 -8.644 -13.214 389 1HB ALA 48 1HB ALA 48 8.075 -6.536 -11.856 390 2HB ALA 48 2HB ALA 48 7.993 -7.539 -10.391 391 3HB ALA 48 3HB ALA 48 9.282 -7.802 -11.578 392 H GLY 49 H GLY 49 5.581 -9.962 -10.872 393 1HA GLY 49 1HA GLY 49 6.107 -12.499 -11.099 394 2HA GLY 49 2HA GLY 49 7.488 -12.104 -10.071 395 H GLY 50 H GLY 50 7.165 -11.967 -7.895 396 1HA GLY 50 1HA GLY 50 4.381 -12.052 -6.828 397 2HA GLY 50 2HA GLY 50 5.626 -13.216 -6.367 398 H TYR 51 H TYR 51 4.610 -9.846 -6.159 399 HA TYR 51 HA TYR 51 6.609 -8.975 -4.212 400 1HB TYR 51 1HB TYR 51 4.032 -7.963 -5.367 401 2HB TYR 51 2HB TYR 51 4.477 -7.332 -3.811 402 HD1 TYR 51 1HD TYR 51 5.909 -5.534 -3.579 403 HD2 TYR 51 2HD TYR 51 5.928 -7.769 -7.278 404 HE1 TYR 51 1HE TYR 51 7.524 -3.929 -4.545 405 HE2 TYR 51 2HE TYR 51 7.549 -6.164 -8.239 406 HH TYR 51 HH TYR 51 8.812 -4.184 -7.860 407 H GLY 52 H GLY 52 5.991 -8.354 -1.973 408 1HA GLY 52 1HA GLY 52 4.154 -10.306 -0.681 409 2HA GLY 52 2HA GLY 52 5.324 -9.256 0.115 410 H PHE 53 H PHE 53 4.781 -6.753 -1.092 411 HA PHE 53 HA PHE 53 2.083 -6.228 0.008 412 1HB PHE 53 1HB PHE 53 4.740 -5.636 1.104 413 2HB PHE 53 2HB PHE 53 3.828 -4.168 0.851 414 HD1 PHE 53 1HD PHE 53 3.925 -7.384 2.686 415 HD2 PHE 53 2HD PHE 53 1.870 -3.632 2.147 416 HE1 PHE 53 1HE PHE 53 2.831 -7.660 4.892 417 HE2 PHE 53 2HE PHE 53 0.796 -3.895 4.344 418 HZ PHE 53 HZ PHE 53 1.299 -5.933 5.743 419 H VAL 54 H VAL 54 0.972 -4.462 -0.736 420 HA VAL 54 HA VAL 54 2.226 -2.745 -2.805 421 HB VAL 54 HB VAL 54 -0.510 -4.087 -2.974 422 1HG1 VAL 54 1HG1 VAL 54 1.087 -2.620 -5.130 423 2HG1 VAL 54 2HG1 VAL 54 -0.424 -3.500 -5.379 424 3HG1 VAL 54 3HG1 VAL 54 -0.433 -2.047 -4.384 425 1HG2 VAL 54 1HG2 VAL 54 0.665 -5.297 -4.867 426 2HG2 VAL 54 2HG2 VAL 54 2.194 -4.814 -4.151 427 3HG2 VAL 54 3HG2 VAL 54 1.053 -5.827 -3.231 428 H ILE 55 H ILE 55 2.490 -1.146 -1.211 429 HA ILE 55 HA ILE 55 0.050 -0.094 0.063 430 HB ILE 55 HB ILE 55 2.881 0.881 0.508 431 1HG1 ILE 55 1HG1 ILE 55 1.392 -1.431 1.781 432 2HG1 ILE 55 2HG1 ILE 55 3.016 -1.431 1.084 433 1HG2 ILE 55 1HG2 ILE 55 0.963 2.356 1.159 434 2HG2 ILE 55 2HG2 ILE 55 0.360 1.050 2.200 435 3HG2 ILE 55 3HG2 ILE 55 1.919 1.839 2.541 436 1HD1 ILE 55 1HD1 ILE 55 2.191 -0.153 3.722 437 2HD1 ILE 55 2HD1 ILE 55 3.100 -1.634 3.493 438 3HD1 ILE 55 3HD1 ILE 55 3.820 -0.085 3.000 439 H SER 56 H SER 56 -0.968 1.666 -0.769 440 HA SER 56 HA SER 56 0.324 3.092 -3.036 441 1HB SER 56 1HB SER 56 -1.045 1.150 -3.837 442 2HB SER 56 2HB SER 56 -2.457 1.847 -3.025 443 HG SER 56 HG SER 56 -2.315 3.639 -4.408 444 H ASP 57 H ASP 57 -0.341 5.227 -3.222 445 HA ASP 57 HA ASP 57 -2.176 6.364 -1.205 446 1HB ASP 57 1HB ASP 57 -0.238 7.676 -2.484 447 2HB ASP 57 2HB ASP 57 -1.453 7.832 -3.749 448 H TRP 58 H TRP 58 -4.091 7.516 -2.187 449 HA TRP 58 HA TRP 58 -5.703 5.813 -3.963 450 1HB TRP 58 1HB TRP 58 -6.628 6.990 -1.940 451 2HB TRP 58 2HB TRP 58 -6.219 8.531 -2.672 452 HD1 TRP 58 HD TRP 58 -7.479 8.838 -5.267 453 HE1 TRP 58 1HE TRP 58 -9.816 8.204 -5.971 454 HE3 TRP 58 3HE TRP 58 -8.591 5.617 -1.440 455 HZ2 TRP 58 2HZ TRP 58 -11.932 6.464 -5.021 456 HZ3 TRP 58 3HZ TRP 58 -10.769 4.419 -1.413 457 HH2 TRP 58 HH TRP 58 -12.436 4.855 -3.231 458 H ASN 59 H ASN 59 -3.967 8.952 -3.797 459 HA ASN 59 HA ASN 59 -5.213 9.997 -6.113 460 1HB ASN 59 1HB ASN 59 -4.399 11.363 -4.212 461 2HB ASN 59 2HB ASN 59 -2.746 10.939 -4.607 462 1HD2 ASN 59 1HD2 ASN 59 -2.038 13.064 -5.134 463 2HD2 ASN 59 2HD2 ASN 59 -2.656 13.930 -6.539 464 H MET 60 H MET 60 -4.824 8.890 -8.062 465 HA MET 60 HA MET 60 -2.101 9.313 -9.177 466 1HB MET 60 1HB MET 60 -3.757 6.953 -10.021 467 2HB MET 60 2HB MET 60 -2.070 7.251 -10.341 468 1HG MET 60 1HG MET 60 -3.176 6.582 -7.584 469 2HG MET 60 2HG MET 60 -2.508 5.411 -8.698 470 1HE MET 60 1HE MET 60 -1.737 6.320 -5.584 471 2HE MET 60 2HE MET 60 -1.093 4.834 -6.327 472 3HE MET 60 3HE MET 60 0.015 6.024 -5.599 473 HA PRO 61 HA PRO 61 -4.690 11.323 -12.175 474 1HB PRO 61 1HB PRO 61 -3.199 11.339 -14.472 475 2HB PRO 61 2HB PRO 61 -2.774 12.289 -13.016 476 1HG PRO 61 1HG PRO 61 -1.634 9.641 -13.910 477 2HG PRO 61 2HG PRO 61 -0.771 11.061 -13.248 478 1HD PRO 61 1HD PRO 61 -1.499 8.866 -11.754 479 2HD PRO 61 2HD PRO 61 -1.319 10.506 -11.057 480 H ASN 62 H ASN 62 -3.249 8.306 -13.417 481 HA ASN 62 HA ASN 62 -5.541 7.848 -15.221 482 1HB ASN 62 1HB ASN 62 -2.715 6.911 -15.026 483 2HB ASN 62 2HB ASN 62 -3.875 5.747 -15.674 484 1HD2 ASN 62 1HD2 ASN 62 -5.110 6.254 -17.604 485 2HD2 ASN 62 2HD2 ASN 62 -4.449 7.459 -18.699 486 H MET 63 H MET 63 -3.886 5.105 -13.766 487 HA MET 63 HA MET 63 -6.416 4.053 -12.746 488 1HB MET 63 1HB MET 63 -4.821 2.606 -13.940 489 2HB MET 63 2HB MET 63 -3.580 2.928 -12.724 490 1HG MET 63 1HG MET 63 -4.950 1.881 -10.990 491 2HG MET 63 2HG MET 63 -6.265 1.624 -12.139 492 1HE MET 63 1HE MET 63 -5.113 -1.294 -14.354 493 2HE MET 63 2HE MET 63 -6.462 -0.284 -13.800 494 3HE MET 63 3HE MET 63 -5.138 0.436 -14.745 495 H ASP 64 H ASP 64 -7.016 5.332 -11.030 496 HA ASP 64 HA ASP 64 -5.310 6.185 -8.887 497 1HB ASP 64 1HB ASP 64 -7.266 6.869 -7.774 498 2HB ASP 64 2HB ASP 64 -7.472 7.241 -9.473 499 H GLY 65 H GLY 65 -5.709 5.492 -6.590 500 1HA GLY 65 1HA GLY 65 -4.645 2.886 -6.392 501 2HA GLY 65 2HA GLY 65 -5.187 3.878 -5.039 502 H LEU 66 H LEU 66 -8.046 3.856 -6.409 503 HA LEU 66 HA LEU 66 -8.951 1.452 -4.977 504 1HB LEU 66 1HB LEU 66 -10.106 3.819 -4.995 505 2HB LEU 66 2HB LEU 66 -10.674 3.348 -6.589 506 HG LEU 66 HG LEU 66 -12.380 3.044 -4.996 507 1HD1 LEU 66 1HD1 LEU 66 -12.180 1.342 -6.830 508 2HD1 LEU 66 2HD1 LEU 66 -11.487 0.236 -5.607 509 3HD1 LEU 66 3HD1 LEU 66 -13.128 0.883 -5.399 510 1HD2 LEU 66 1HD2 LEU 66 -12.052 1.087 -3.285 511 2HD2 LEU 66 2HD2 LEU 66 -10.343 1.545 -3.391 512 3HD2 LEU 66 3HD2 LEU 66 -11.540 2.727 -2.887 513 H GLU 67 H GLU 67 -8.801 2.834 -8.273 514 HA GLU 67 HA GLU 67 -9.851 0.559 -9.649 515 1HB GLU 67 1HB GLU 67 -7.932 2.774 -10.490 516 2HB GLU 67 2HB GLU 67 -8.533 1.551 -11.607 517 1HG GLU 67 1HG GLU 67 -10.404 3.305 -9.960 518 2HG GLU 67 2HG GLU 67 -9.789 3.770 -11.553 519 H LEU 68 H LEU 68 -6.498 1.387 -8.702 520 HA LEU 68 HA LEU 68 -5.213 -0.923 -9.758 521 1HB LEU 68 1HB LEU 68 -3.966 1.021 -8.887 522 2HB LEU 68 2HB LEU 68 -4.583 0.703 -7.267 523 HG LEU 68 HG LEU 68 -3.390 -1.533 -7.291 524 1HD1 LEU 68 1HD1 LEU 68 -1.510 -1.786 -8.955 525 2HD1 LEU 68 2HD1 LEU 68 -3.111 -1.919 -9.693 526 3HD1 LEU 68 3HD1 LEU 68 -2.189 -0.424 -9.864 527 1HD2 LEU 68 1HD2 LEU 68 -1.173 -0.567 -6.868 528 2HD2 LEU 68 2HD2 LEU 68 -1.686 0.953 -7.637 529 3HD2 LEU 68 3HD2 LEU 68 -2.462 0.406 -6.146 530 H LEU 69 H LEU 69 -6.692 -0.344 -6.522 531 HA LEU 69 HA LEU 69 -6.281 -2.931 -5.451 532 1HB LEU 69 1HB LEU 69 -6.972 -1.552 -3.824 533 2HB LEU 69 2HB LEU 69 -8.035 -0.625 -4.867 534 HG LEU 69 HG LEU 69 -9.815 -2.197 -4.674 535 1HD1 LEU 69 1HD1 LEU 69 -9.922 -4.146 -3.387 536 2HD1 LEU 69 2HD1 LEU 69 -8.351 -4.343 -4.159 537 3HD1 LEU 69 3HD1 LEU 69 -8.443 -3.785 -2.498 538 1HD2 LEU 69 1HD2 LEU 69 -9.721 -0.463 -2.999 539 2HD2 LEU 69 2HD2 LEU 69 -10.138 -1.940 -2.129 540 3HD2 LEU 69 3HD2 LEU 69 -8.475 -1.322 -2.098 541 H LYS 70 H LYS 70 -9.194 -1.719 -7.309 542 HA LYS 70 HA LYS 70 -10.394 -4.326 -7.138 543 1HB LYS 70 1HB LYS 70 -10.962 -2.296 -9.320 544 2HB LYS 70 2HB LYS 70 -11.908 -3.727 -8.870 545 1HG LYS 70 1HG LYS 70 -11.899 -2.525 -6.472 546 2HG LYS 70 2HG LYS 70 -11.658 -1.091 -7.480 547 1HD LYS 70 1HD LYS 70 -13.678 -1.843 -8.836 548 2HD LYS 70 2HD LYS 70 -13.953 -3.102 -7.610 549 1HE LYS 70 1HE LYS 70 -14.100 -1.318 -5.872 550 2HE LYS 70 2HE LYS 70 -13.859 -0.098 -7.130 551 1HZ LYS 70 1HZ LYS 70 -16.170 -1.915 -6.873 552 2HZ LYS 70 2HZ LYS 70 -16.138 -0.295 -6.602 553 3HZ LYS 70 3HZ LYS 70 -15.949 -0.872 -8.130 554 H THR 71 H THR 71 -8.245 -2.900 -9.616 555 HA THR 71 HA THR 71 -8.388 -5.019 -11.474 556 HB THR 71 HB THR 71 -6.109 -3.123 -10.740 557 HG1 THR 71 1HG THR 71 -7.767 -1.978 -11.465 558 1HG2 THR 71 1HG2 THR 71 -6.480 -4.882 -13.188 559 2HG2 THR 71 2HG2 THR 71 -5.302 -3.562 -13.048 560 3HG2 THR 71 3HG2 THR 71 -5.180 -4.993 -12.006 561 H ILE 72 H ILE 72 -6.202 -4.606 -8.612 562 HA ILE 72 HA ILE 72 -4.938 -7.163 -8.947 563 HB ILE 72 HB ILE 72 -5.111 -5.059 -6.758 564 1HG1 ILE 72 1HG1 ILE 72 -2.830 -6.262 -8.426 565 2HG1 ILE 72 2HG1 ILE 72 -3.653 -4.745 -8.767 566 1HG2 ILE 72 1HG2 ILE 72 -3.768 -7.762 -6.528 567 2HG2 ILE 72 2HG2 ILE 72 -3.479 -6.415 -5.416 568 3HG2 ILE 72 3HG2 ILE 72 -5.065 -7.161 -5.490 569 1HD1 ILE 72 1HD1 ILE 72 -1.550 -4.215 -7.762 570 2HD1 ILE 72 2HD1 ILE 72 -2.803 -3.840 -6.563 571 3HD1 ILE 72 3HD1 ILE 72 -1.816 -5.312 -6.411 572 H ARG 73 H ARG 73 -7.778 -6.094 -7.048 573 HA ARG 73 HA ARG 73 -8.171 -8.528 -5.658 574 1HB ARG 73 1HB ARG 73 -9.097 -6.308 -5.035 575 2HB ARG 73 2HB ARG 73 -10.232 -6.388 -6.379 576 1HG ARG 73 1HG ARG 73 -10.165 -8.688 -4.415 577 2HG ARG 73 2HG ARG 73 -10.853 -7.163 -3.865 578 1HD ARG 73 1HD ARG 73 -12.595 -7.184 -5.462 579 2HD ARG 73 2HD ARG 73 -11.782 -8.345 -6.496 580 HE ARG 73 HE ARG 73 -12.379 -10.130 -5.155 581 1HH1 ARG 73 2HH2 ARG 73 -13.400 -7.119 -3.545 582 2HH1 ARG 73 1HH2 ARG 73 -14.687 -7.848 -2.663 583 1HH2 ARG 73 2HH1 ARG 73 -14.100 -11.133 -3.981 584 2HH2 ARG 73 1HH1 ARG 73 -15.058 -10.198 -2.896 585 H ALA 74 H ALA 74 -9.363 -7.446 -8.826 586 HA ALA 74 HA ALA 74 -11.028 -9.849 -9.160 587 1HB ALA 74 1HB ALA 74 -10.556 -7.455 -10.979 588 2HB ALA 74 2HB ALA 74 -11.789 -8.717 -11.189 589 3HB ALA 74 3HB ALA 74 -11.883 -7.601 -9.810 590 H ASP 75 H ASP 75 -7.782 -9.308 -9.426 591 HA ASP 75 HA ASP 75 -7.206 -10.877 -11.826 592 1HB ASP 75 1HB ASP 75 -5.609 -9.232 -10.660 593 2HB ASP 75 2HB ASP 75 -5.514 -10.425 -9.347 594 H GLY 76 H GLY 76 -6.410 -13.186 -11.551 595 1HA GLY 76 1HA GLY 76 -8.146 -14.606 -9.651 596 2HA GLY 76 2HA GLY 76 -7.099 -15.329 -10.865 597 H ALA 77 H ALA 77 -4.760 -13.598 -9.820 598 HA ALA 77 HA ALA 77 -4.016 -15.445 -7.591 599 1HB ALA 77 1HB ALA 77 -1.748 -15.239 -8.447 600 2HB ALA 77 2HB ALA 77 -2.827 -15.773 -9.751 601 3HB ALA 77 3HB ALA 77 -2.280 -14.091 -9.700 602 H MET 78 H MET 78 -3.578 -12.126 -8.915 603 HA MET 78 HA MET 78 -2.026 -11.240 -6.673 604 1HB MET 78 1HB MET 78 -3.550 -9.524 -8.672 605 2HB MET 78 2HB MET 78 -2.280 -8.997 -7.583 606 1HG MET 78 1HG MET 78 -0.710 -10.639 -8.600 607 2HG MET 78 2HG MET 78 -1.926 -10.999 -9.830 608 1HE MET 78 1HE MET 78 1.049 -8.959 -11.489 609 2HE MET 78 2HE MET 78 1.140 -10.066 -10.111 610 3HE MET 78 3HE MET 78 0.157 -10.495 -11.531 611 H SER 79 H SER 79 -5.355 -11.786 -6.867 612 HA SER 79 HA SER 79 -6.409 -9.769 -5.251 613 1HB SER 79 1HB SER 79 -8.242 -11.416 -4.869 614 2HB SER 79 2HB SER 79 -7.762 -11.255 -6.568 615 HG SER 79 HG SER 79 -8.075 -13.418 -5.710 616 H ALA 80 H ALA 80 -4.347 -12.422 -4.286 617 HA ALA 80 HA ALA 80 -5.070 -12.400 -1.491 618 1HB ALA 80 1HB ALA 80 -3.008 -13.724 -1.212 619 2HB ALA 80 2HB ALA 80 -3.934 -14.309 -2.613 620 3HB ALA 80 3HB ALA 80 -2.494 -13.295 -2.855 621 H LEU 81 H LEU 81 -3.254 -10.090 -3.348 622 HA LEU 81 HA LEU 81 -1.200 -9.489 -1.516 623 1HB LEU 81 1HB LEU 81 -2.653 -7.913 -3.665 624 2HB LEU 81 2HB LEU 81 -1.342 -7.177 -2.766 625 HG LEU 81 HG LEU 81 -1.013 -9.783 -4.325 626 1HD1 LEU 81 1HD1 LEU 81 -0.518 -6.886 -5.067 627 2HD1 LEU 81 2HD1 LEU 81 0.054 -8.284 -6.019 628 3HD1 LEU 81 3HD1 LEU 81 -1.661 -7.953 -5.791 629 1HD2 LEU 81 1HD2 LEU 81 1.440 -9.096 -4.155 630 2HD2 LEU 81 2HD2 LEU 81 0.956 -7.908 -2.933 631 3HD2 LEU 81 3HD2 LEU 81 0.705 -9.622 -2.639 632 HA PRO 82 HA PRO 82 -3.356 -6.709 1.336 633 1HB PRO 82 1HB PRO 82 -1.304 -5.571 2.658 634 2HB PRO 82 2HB PRO 82 -1.705 -7.302 2.879 635 1HG PRO 82 1HG PRO 82 0.385 -6.076 1.101 636 2HG PRO 82 2HG PRO 82 0.575 -7.454 2.204 637 1HD PRO 82 1HD PRO 82 0.084 -7.723 -0.514 638 2HD PRO 82 2HD PRO 82 -0.462 -8.916 0.700 639 H VAL 83 H VAL 83 -4.195 -5.432 -0.436 640 HA VAL 83 HA VAL 83 -2.587 -3.190 -1.488 641 HB VAL 83 HB VAL 83 -4.825 -2.535 -2.523 642 1HG1 VAL 83 1HG1 VAL 83 -3.463 -5.127 -3.352 643 2HG1 VAL 83 2HG1 VAL 83 -4.482 -4.105 -4.390 644 3HG1 VAL 83 3HG1 VAL 83 -2.949 -3.476 -3.776 645 1HG2 VAL 83 1HG2 VAL 83 -6.369 -4.424 -2.959 646 2HG2 VAL 83 2HG2 VAL 83 -5.559 -5.401 -1.743 647 3HG2 VAL 83 3HG2 VAL 83 -6.387 -3.909 -1.260 648 H LEU 84 H LEU 84 -2.075 -1.826 0.049 649 HA LEU 84 HA LEU 84 -4.055 -1.206 2.199 650 1HB LEU 84 1HB LEU 84 -2.089 -2.348 3.004 651 2HB LEU 84 2HB LEU 84 -1.022 -1.199 2.195 652 HG LEU 84 HG LEU 84 -1.654 0.583 3.687 653 1HD1 LEU 84 1HD1 LEU 84 -3.223 0.215 5.605 654 2HD1 LEU 84 2HD1 LEU 84 -4.007 0.256 4.039 655 3HD1 LEU 84 3HD1 LEU 84 -3.734 -1.315 4.838 656 1HD2 LEU 84 1HD2 LEU 84 -0.835 -0.284 5.808 657 2HD2 LEU 84 2HD2 LEU 84 -1.241 -1.948 5.323 658 3HD2 LEU 84 3HD2 LEU 84 0.038 -1.055 4.476 659 H MET 85 H MET 85 -5.054 0.654 1.911 660 HA MET 85 HA MET 85 -4.060 2.737 0.106 661 1HB MET 85 1HB MET 85 -6.476 2.446 1.939 662 2HB MET 85 2HB MET 85 -6.131 3.935 1.074 663 1HG MET 85 1HG MET 85 -6.462 1.251 -0.328 664 2HG MET 85 2HG MET 85 -7.801 2.330 0.053 665 1HE MET 85 1HE MET 85 -7.820 1.775 -2.939 666 2HE MET 85 2HE MET 85 -8.783 2.904 -1.955 667 3HE MET 85 3HE MET 85 -8.014 3.479 -3.438 668 H VAL 86 H VAL 86 -2.600 4.248 0.783 669 HA VAL 86 HA VAL 86 -2.794 5.293 3.551 670 HB VAL 86 HB VAL 86 -0.171 4.659 2.123 671 1HG1 VAL 86 1HG1 VAL 86 -0.028 6.642 3.575 672 2HG1 VAL 86 2HG1 VAL 86 -0.726 5.738 4.928 673 3HG1 VAL 86 3HG1 VAL 86 0.862 5.294 4.278 674 1HG2 VAL 86 1HG2 VAL 86 0.208 3.021 3.952 675 2HG2 VAL 86 2HG2 VAL 86 -1.459 3.262 4.510 676 3HG2 VAL 86 3HG2 VAL 86 -1.149 2.590 2.905 677 H THR 87 H THR 87 -3.827 7.144 3.007 678 HA THR 87 HA THR 87 -2.667 8.832 0.882 679 HB THR 87 HB THR 87 -4.431 7.434 -0.099 680 HG1 THR 87 1HG THR 87 -4.297 9.389 -1.006 681 1HG2 THR 87 1HG2 THR 87 -5.856 6.967 1.836 682 2HG2 THR 87 2HG2 THR 87 -6.317 8.678 1.949 683 3HG2 THR 87 3HG2 THR 87 -6.799 7.713 0.542 684 H ALA 88 H ALA 88 -4.414 10.868 0.959 685 HA ALA 88 HA ALA 88 -4.303 11.886 3.771 686 1HB ALA 88 1HB ALA 88 -4.185 14.129 2.795 687 2HB ALA 88 2HB ALA 88 -2.842 13.120 2.226 688 3HB ALA 88 3HB ALA 88 -4.226 13.435 1.157 689 H GLU 89 H GLU 89 -6.487 10.852 1.295 690 HA GLU 89 HA GLU 89 -8.541 12.810 1.968 691 1HB GLU 89 1HB GLU 89 -8.614 10.447 0.058 692 2HB GLU 89 2HB GLU 89 -9.870 11.678 0.275 693 1HG GLU 89 1HG GLU 89 -7.833 13.356 -0.166 694 2HG GLU 89 2HG GLU 89 -7.131 11.948 -0.966 695 H ALA 90 H ALA 90 -9.502 12.560 3.925 696 HA ALA 90 HA ALA 90 -10.103 9.962 5.102 697 1HB ALA 90 1HB ALA 90 -9.677 12.096 6.434 698 2HB ALA 90 2HB ALA 90 -11.250 12.677 5.852 699 3HB ALA 90 3HB ALA 90 -11.152 11.218 6.862 700 H LYS 91 H LYS 91 -11.464 11.251 2.459 701 HA LYS 91 HA LYS 91 -14.144 11.819 2.905 702 1HB LYS 91 1HB LYS 91 -13.001 12.383 0.899 703 2HB LYS 91 2HB LYS 91 -12.692 10.704 0.492 704 1HG LYS 91 1HG LYS 91 -14.743 10.421 -0.468 705 2HG LYS 91 2HG LYS 91 -15.582 11.304 0.804 706 1HD LYS 91 1HD LYS 91 -15.797 12.442 -1.374 707 2HD LYS 91 2HD LYS 91 -14.995 13.444 -0.155 708 1HE LYS 91 1HE LYS 91 -12.766 12.725 -1.152 709 2HE LYS 91 2HE LYS 91 -13.659 11.939 -2.452 710 1HZ LYS 91 1HZ LYS 91 -14.497 14.046 -3.127 711 2HZ LYS 91 2HZ LYS 91 -13.891 14.824 -1.791 712 3HZ LYS 91 3HZ LYS 91 -12.881 14.224 -2.926 713 H LYS 92 H LYS 92 -15.713 10.652 3.736 714 HA LYS 92 HA LYS 92 -15.454 7.964 4.458 715 1HB LYS 92 1HB LYS 92 -16.906 9.537 5.582 716 2HB LYS 92 2HB LYS 92 -17.874 9.768 4.127 717 1HG LYS 92 1HG LYS 92 -18.673 7.447 4.270 718 2HG LYS 92 2HG LYS 92 -17.686 7.183 5.726 719 1HD LYS 92 1HD LYS 92 -18.967 8.947 6.906 720 2HD LYS 92 2HD LYS 92 -19.848 9.319 5.416 721 1HE LYS 92 1HE LYS 92 -21.267 8.013 6.812 722 2HE LYS 92 2HE LYS 92 -20.831 7.055 5.394 723 1HZ LYS 92 1HZ LYS 92 -20.763 5.902 7.570 724 2HZ LYS 92 2HZ LYS 92 -19.352 5.766 6.732 725 3HZ LYS 92 3HZ LYS 92 -19.476 6.780 8.025 726 H GLU 93 H GLU 93 -17.299 9.335 1.665 727 HA GLU 93 HA GLU 93 -18.158 7.039 0.408 728 1HB GLU 93 1HB GLU 93 -17.240 9.755 -0.449 729 2HB GLU 93 2HB GLU 93 -17.270 8.558 -1.724 730 1HG GLU 93 1HG GLU 93 -19.720 8.594 -0.006 731 2HG GLU 93 2HG GLU 93 -19.409 10.061 -0.928 732 H ASN 94 H ASN 94 -14.781 8.251 0.423 733 HA ASN 94 HA ASN 94 -13.939 6.241 -1.507 734 1HB ASN 94 1HB ASN 94 -12.372 8.257 0.145 735 2HB ASN 94 2HB ASN 94 -11.633 7.121 -0.944 736 1HD2 ASN 94 1HD2 ASN 94 -13.381 7.181 -3.223 737 2HD2 ASN 94 2HD2 ASN 94 -13.373 8.800 -3.858 738 H ILE 95 H ILE 95 -13.955 6.630 2.043 739 HA ILE 95 HA ILE 95 -12.574 4.166 2.590 740 HB ILE 95 HB ILE 95 -14.495 5.850 4.232 741 1HG1 ILE 95 1HG1 ILE 95 -12.407 5.634 5.821 742 2HG1 ILE 95 2HG1 ILE 95 -11.536 5.133 4.382 743 1HG2 ILE 95 1HG2 ILE 95 -15.095 3.561 4.829 744 2HG2 ILE 95 2HG2 ILE 95 -13.377 3.134 5.009 745 3HG2 ILE 95 3HG2 ILE 95 -14.162 4.283 6.127 746 1HD1 ILE 95 1HD1 ILE 95 -11.311 7.567 4.980 747 2HD1 ILE 95 2HD1 ILE 95 -11.980 7.343 3.358 748 3HD1 ILE 95 3HD1 ILE 95 -13.048 7.769 4.722 749 H ILE 96 H ILE 96 -16.241 4.793 2.140 750 HA ILE 96 HA ILE 96 -16.946 2.116 2.334 751 HB ILE 96 HB ILE 96 -18.011 4.502 0.795 752 1HG1 ILE 96 1HG1 ILE 96 -19.672 3.097 2.846 753 2HG1 ILE 96 2HG1 ILE 96 -18.132 3.681 3.487 754 1HG2 ILE 96 1HG2 ILE 96 -19.325 1.755 0.876 755 2HG2 ILE 96 2HG2 ILE 96 -20.134 3.263 0.395 756 3HG2 ILE 96 3HG2 ILE 96 -18.800 2.643 -0.571 757 1HD1 ILE 96 1HD1 ILE 96 -20.146 5.356 1.982 758 2HD1 ILE 96 2HD1 ILE 96 -19.762 5.415 3.737 759 3HD1 ILE 96 3HD1 ILE 96 -18.570 5.908 2.532 760 H ALA 97 H ALA 97 -15.913 3.889 -0.659 761 HA ALA 97 HA ALA 97 -16.175 1.742 -2.450 762 1HB ALA 97 1HB ALA 97 -15.665 4.018 -3.225 763 2HB ALA 97 2HB ALA 97 -14.100 3.959 -2.392 764 3HB ALA 97 3HB ALA 97 -14.399 2.905 -3.785 765 H ALA 98 H ALA 98 -13.359 2.619 -0.398 766 HA ALA 98 HA ALA 98 -11.656 0.508 -1.244 767 1HB ALA 98 1HB ALA 98 -11.764 1.999 1.402 768 2HB ALA 98 2HB ALA 98 -10.410 1.001 0.822 769 3HB ALA 98 3HB ALA 98 -10.860 2.474 -0.048 770 H ALA 99 H ALA 99 -13.988 0.590 1.521 771 HA ALA 99 HA ALA 99 -13.366 -2.087 2.372 772 1HB ALA 99 1HB ALA 99 -15.907 -0.427 2.764 773 2HB ALA 99 2HB ALA 99 -15.467 -1.884 3.680 774 3HB ALA 99 3HB ALA 99 -14.483 -0.413 3.824 775 H GLN 100 H GLN 100 -15.831 -0.799 0.160 776 HA GLN 100 HA GLN 100 -17.273 -3.165 -0.398 777 1HB GLN 100 1HB GLN 100 -16.752 -0.574 -1.893 778 2HB GLN 100 2HB GLN 100 -17.772 -1.806 -2.576 779 1HG GLN 100 1HG GLN 100 -18.328 -0.786 0.237 780 2HG GLN 100 2HG GLN 100 -18.785 0.182 -1.159 781 1HE2 GLN 100 1HE2 GLN 100 -20.602 -1.036 0.839 782 2HE2 GLN 100 2HE2 GLN 100 -21.663 -2.049 -0.095 783 H ALA 101 H ALA 101 -14.488 -1.654 -2.139 784 HA ALA 101 HA ALA 101 -14.177 -3.678 -4.109 785 1HB ALA 101 1HB ALA 101 -11.917 -2.673 -4.295 786 2HB ALA 101 2HB ALA 101 -13.171 -1.413 -4.232 787 3HB ALA 101 3HB ALA 101 -12.208 -1.747 -2.806 788 H GLY 102 H GLY 102 -12.903 -3.283 -0.816 789 1HA GLY 102 1HA GLY 102 -12.577 -5.219 0.591 790 2HA GLY 102 2HA GLY 102 -12.000 -6.133 -0.807 791 H ALA 103 H ALA 103 -11.034 -2.762 0.041 792 HA ALA 103 HA ALA 103 -8.274 -3.347 -0.315 793 1HB ALA 103 1HB ALA 103 -9.530 -0.979 -0.189 794 2HB ALA 103 2HB ALA 103 -9.030 -1.071 1.500 795 3HB ALA 103 3HB ALA 103 -7.814 -1.164 0.208 796 H SER 104 H SER 104 -6.592 -3.680 1.170 797 HA SER 104 HA SER 104 -7.353 -5.337 3.372 798 1HB SER 104 1HB SER 104 -4.611 -4.307 2.594 799 2HB SER 104 2HB SER 104 -5.032 -5.789 3.483 800 HG SER 104 HG SER 104 -6.332 -6.306 1.511 801 H GLY 105 H GLY 105 -6.827 -1.909 3.126 802 1HA GLY 105 1HA GLY 105 -7.790 -1.382 5.653 803 2HA GLY 105 2HA GLY 105 -6.019 -1.383 5.825 804 H TYR 106 H TYR 106 -7.169 0.967 6.303 805 HA TYR 106 HA TYR 106 -6.456 2.650 3.990 806 1HB TYR 106 1HB TYR 106 -9.050 2.168 4.426 807 2HB TYR 106 2HB TYR 106 -8.834 3.321 5.721 808 HD1 TYR 106 1HD TYR 106 -7.659 5.654 4.953 809 HD2 TYR 106 2HD TYR 106 -9.777 2.930 2.375 810 HE1 TYR 106 1HE TYR 106 -8.203 7.518 3.411 811 HE2 TYR 106 2HE TYR 106 -10.366 4.815 0.866 812 HH TYR 106 HH TYR 106 -9.506 8.198 1.664 813 H VAL 107 H VAL 107 -5.189 4.330 4.642 814 HA VAL 107 HA VAL 107 -5.111 5.157 7.497 815 HB VAL 107 HB VAL 107 -2.818 4.627 5.565 816 1HG1 VAL 107 1HG1 VAL 107 -2.291 6.728 6.620 817 2HG1 VAL 107 2HG1 VAL 107 -2.756 6.092 8.214 818 3HG1 VAL 107 3HG1 VAL 107 -1.310 5.471 7.372 819 1HG2 VAL 107 1HG2 VAL 107 -3.559 2.675 6.855 820 2HG2 VAL 107 2HG2 VAL 107 -1.935 3.188 7.331 821 3HG2 VAL 107 3HG2 VAL 107 -3.318 3.592 8.374 822 H VAL 108 H VAL 108 -4.929 7.399 7.720 823 HA VAL 108 HA VAL 108 -5.091 8.972 5.209 824 HB VAL 108 HB VAL 108 -6.669 9.718 7.671 825 1HG1 VAL 108 1HG1 VAL 108 -7.924 10.991 6.043 826 2HG1 VAL 108 2HG1 VAL 108 -6.218 11.329 5.791 827 3HG1 VAL 108 3HG1 VAL 108 -7.070 10.224 4.691 828 1HG2 VAL 108 1HG2 VAL 108 -7.672 7.896 5.461 829 2HG2 VAL 108 2HG2 VAL 108 -7.603 7.519 7.197 830 3HG2 VAL 108 3HG2 VAL 108 -8.716 8.755 6.608 831 H LYS 109 H LYS 109 -3.736 10.738 5.253 832 HA LYS 109 HA LYS 109 -1.918 11.429 7.281 833 1HB LYS 109 1HB LYS 109 -1.812 12.337 5.010 834 2HB LYS 109 2HB LYS 109 -3.339 13.201 5.266 835 1HG LYS 109 1HG LYS 109 -2.290 14.599 6.994 836 2HG LYS 109 2HG LYS 109 -0.749 13.769 6.771 837 1HD LYS 109 1HD LYS 109 -2.036 14.913 4.312 838 2HD LYS 109 2HD LYS 109 -1.454 16.077 5.503 839 1HE LYS 109 1HE LYS 109 0.785 15.286 5.394 840 2HE LYS 109 2HE LYS 109 0.325 13.820 4.514 841 1HZ LYS 109 1HZ LYS 109 -0.034 15.004 2.595 842 2HZ LYS 109 2HZ LYS 109 -0.156 16.480 3.342 843 3HZ LYS 109 3HZ LYS 109 1.297 15.749 3.203 844 HA PRO 110 HA PRO 110 -1.017 12.843 8.768 845 1HB PRO 110 1HB PRO 110 -0.798 13.120 11.445 846 2HB PRO 110 2HB PRO 110 -1.209 14.497 10.373 847 1HG PRO 110 1HG PRO 110 -3.120 12.808 12.000 848 2HG PRO 110 2HG PRO 110 -3.022 14.597 11.902 849 1HD PRO 110 1HD PRO 110 -4.764 13.125 10.378 850 2HD PRO 110 2HD PRO 110 -4.019 14.637 9.779 851 H PHE 111 H PHE 111 0.229 10.952 9.071 852 HA PHE 111 HA PHE 111 -0.859 8.780 10.742 853 1HB PHE 111 1HB PHE 111 -0.530 7.133 9.023 854 2HB PHE 111 2HB PHE 111 -1.714 8.305 8.493 855 HD1 PHE 111 1HD PHE 111 -1.345 9.509 6.408 856 HD2 PHE 111 2HD PHE 111 1.761 7.037 8.075 857 HE1 PHE 111 1HE PHE 111 -0.100 9.651 4.274 858 HE2 PHE 111 2HE PHE 111 2.970 7.141 5.934 859 HZ PHE 111 HZ PHE 111 2.057 8.449 4.024 860 H THR 112 H THR 112 0.767 7.312 11.493 861 HA THR 112 HA THR 112 3.566 7.938 10.834 862 HB THR 112 HB THR 112 3.906 8.064 13.443 863 HG1 THR 112 1HG THR 112 2.286 8.945 14.552 864 1HG2 THR 112 1HG2 THR 112 3.897 10.458 13.382 865 2HG2 THR 112 2HG2 THR 112 4.508 9.817 11.856 866 3HG2 THR 112 3HG2 THR 112 2.862 10.465 11.938 867 H ALA 113 H ALA 113 4.880 6.561 12.711 868 HA ALA 113 HA ALA 113 4.670 3.849 12.058 869 1HB ALA 113 1HB ALA 113 6.712 4.751 12.984 870 2HB ALA 113 2HB ALA 113 5.874 5.307 14.446 871 3HB ALA 113 3HB ALA 113 6.089 3.583 14.137 872 H ALA 114 H ALA 114 3.148 5.750 14.672 873 HA ALA 114 HA ALA 114 1.968 3.739 16.119 874 1HB ALA 114 1HB ALA 114 1.947 6.128 16.775 875 2HB ALA 114 2HB ALA 114 0.794 6.482 15.463 876 3HB ALA 114 3HB ALA 114 0.315 5.449 16.823 877 H THR 115 H THR 115 1.049 4.601 12.855 878 HA THR 115 HA THR 115 -1.297 2.807 13.203 879 HB THR 115 HB THR 115 -1.719 5.277 12.557 880 HG1 THR 115 1HG THR 115 -2.627 2.926 11.294 881 1HG2 THR 115 1HG2 THR 115 -1.799 5.774 10.238 882 2HG2 THR 115 2HG2 THR 115 -0.118 5.499 10.715 883 3HG2 THR 115 3HG2 THR 115 -0.992 4.256 9.791 884 H LEU 116 H LEU 116 1.738 3.328 11.522 885 HA LEU 116 HA LEU 116 1.373 1.502 9.365 886 1HB LEU 116 1HB LEU 116 3.259 3.165 9.744 887 2HB LEU 116 2HB LEU 116 3.907 2.075 10.952 888 HG LEU 116 HG LEU 116 5.116 1.955 8.868 889 1HD1 LEU 116 1HD1 LEU 116 4.894 -0.109 10.284 890 2HD1 LEU 116 2HD1 LEU 116 3.677 -0.664 9.126 891 3HD1 LEU 116 3HD1 LEU 116 5.335 -0.357 8.596 892 1HD2 LEU 116 1HD2 LEU 116 4.222 1.083 6.795 893 2HD2 LEU 116 2HD2 LEU 116 2.612 0.910 7.506 894 3HD2 LEU 116 3HD2 LEU 116 3.326 2.528 7.276 895 H GLU 117 H GLU 117 2.594 1.046 12.726 896 HA GLU 117 HA GLU 117 2.966 -1.729 12.668 897 1HB GLU 117 1HB GLU 117 2.923 -1.616 15.083 898 2HB GLU 117 2HB GLU 117 3.783 -0.259 14.405 899 1HG GLU 117 1HG GLU 117 2.682 1.064 15.757 900 2HG GLU 117 2HG GLU 117 1.235 0.819 14.802 901 H GLU 118 H GLU 118 0.041 0.107 13.567 902 HA GLU 118 HA GLU 118 -1.527 -2.072 14.316 903 1HB GLU 118 1HB GLU 118 -2.201 0.185 14.841 904 2HB GLU 118 2HB GLU 118 -2.320 0.623 13.129 905 1HG GLU 118 1HG GLU 118 -4.199 -0.916 12.791 906 2HG GLU 118 2HG GLU 118 -4.033 -1.542 14.436 907 H LYS 119 H LYS 119 -1.328 -0.493 11.052 908 HA LYS 119 HA LYS 119 -3.303 -2.372 10.027 909 1HB LYS 119 1HB LYS 119 -1.365 -0.794 8.331 910 2HB LYS 119 2HB LYS 119 -2.880 -1.548 7.833 911 1HG LYS 119 1HG LYS 119 -2.534 0.900 9.586 912 2HG LYS 119 2HG LYS 119 -3.140 0.813 7.948 913 1HD LYS 119 1HD LYS 119 -5.183 -0.302 8.700 914 2HD LYS 119 2HD LYS 119 -4.571 -0.332 10.379 915 1HE LYS 119 1HE LYS 119 -4.468 2.107 10.452 916 2HE LYS 119 2HE LYS 119 -4.904 2.215 8.741 917 1HZ LYS 119 1HZ LYS 119 -6.702 1.214 10.862 918 2HZ LYS 119 2HZ LYS 119 -6.752 2.691 10.182 919 3HZ LYS 119 3HZ LYS 119 -7.066 1.376 9.262 920 H LEU 120 H LEU 120 0.280 -2.418 10.222 921 HA LEU 120 HA LEU 120 0.625 -4.726 8.554 922 1HB LEU 120 1HB LEU 120 2.225 -3.608 10.884 923 2HB LEU 120 2HB LEU 120 2.614 -5.163 10.173 924 HG LEU 120 HG LEU 120 2.638 -2.508 8.714 925 1HD1 LEU 120 1HD1 LEU 120 5.083 -2.916 8.628 926 2HD1 LEU 120 2HD1 LEU 120 4.519 -2.878 10.304 927 3HD1 LEU 120 3HD1 LEU 120 4.874 -4.432 9.533 928 1HD2 LEU 120 1HD2 LEU 120 3.775 -3.850 6.886 929 2HD2 LEU 120 2HD2 LEU 120 3.153 -5.314 7.682 930 3HD2 LEU 120 3HD2 LEU 120 2.040 -4.079 7.047 931 H ASN 121 H ASN 121 0.282 -4.536 12.169 932 HA ASN 121 HA ASN 121 0.101 -7.345 12.493 933 1HB ASN 121 1HB ASN 121 0.403 -5.887 14.408 934 2HB ASN 121 2HB ASN 121 -1.196 -5.157 14.162 935 1HD2 ASN 121 1HD2 ASN 121 -2.795 -6.100 15.508 936 2HD2 ASN 121 2HD2 ASN 121 -2.799 -7.810 15.913 937 H LYS 122 H LYS 122 -2.461 -4.981 11.803 938 HA LYS 122 HA LYS 122 -4.678 -6.687 11.979 939 1HB LYS 122 1HB LYS 122 -4.636 -4.213 11.702 940 2HB LYS 122 2HB LYS 122 -4.293 -4.428 9.977 941 1HG LYS 122 1HG LYS 122 -6.461 -5.663 9.755 942 2HG LYS 122 2HG LYS 122 -6.791 -5.332 11.464 943 1HD LYS 122 1HD LYS 122 -6.435 -3.308 9.209 944 2HD LYS 122 2HD LYS 122 -7.928 -3.674 10.067 945 1HE LYS 122 1HE LYS 122 -5.445 -2.366 11.303 946 2HE LYS 122 2HE LYS 122 -6.894 -1.514 10.775 947 1HZ LYS 122 1HZ LYS 122 -8.151 -2.836 12.427 948 2HZ LYS 122 2HZ LYS 122 -6.736 -3.468 12.996 949 3HZ LYS 122 3HZ LYS 122 -7.049 -1.861 13.098 950 H ILE 123 H ILE 123 -2.702 -6.024 8.960 951 HA ILE 123 HA ILE 123 -4.228 -8.112 7.609 952 HB ILE 123 HB ILE 123 -2.719 -7.690 5.679 953 1HG1 ILE 123 1HG1 ILE 123 -1.171 -6.143 7.642 954 2HG1 ILE 123 2HG1 ILE 123 -0.696 -6.914 6.160 955 1HG2 ILE 123 1HG2 ILE 123 -4.139 -5.292 6.934 956 2HG2 ILE 123 2HG2 ILE 123 -3.799 -5.526 5.213 957 3HG2 ILE 123 3HG2 ILE 123 -4.915 -6.613 6.036 958 1HD1 ILE 123 1HD1 ILE 123 -1.447 -4.954 4.873 959 2HD1 ILE 123 2HD1 ILE 123 -2.104 -4.199 6.342 960 3HD1 ILE 123 3HD1 ILE 123 -0.377 -4.435 6.200 961 H PHE 124 H PHE 124 -1.166 -8.103 9.386 962 HA PHE 124 HA PHE 124 -0.147 -10.610 8.578 963 1HB PHE 124 1HB PHE 124 -0.293 -9.334 11.327 964 2HB PHE 124 2HB PHE 124 0.559 -10.804 10.993 965 HD1 PHE 124 1HD PHE 124 1.928 -8.791 12.389 966 HD2 PHE 124 2HD PHE 124 1.470 -9.163 8.120 967 HE1 PHE 124 1HE PHE 124 4.009 -7.485 12.037 968 HE2 PHE 124 2HE PHE 124 3.539 -7.898 7.775 969 HZ PHE 124 HZ PHE 124 4.822 -7.028 9.763 970 H GLU 125 H GLU 125 -2.507 -9.822 11.154 971 HA GLU 125 HA GLU 125 -3.070 -12.609 11.627 972 1HB GLU 125 1HB GLU 125 -4.350 -9.977 12.515 973 2HB GLU 125 2HB GLU 125 -4.854 -11.548 13.136 974 1HG GLU 125 1HG GLU 125 -1.969 -10.557 13.334 975 2HG GLU 125 2HG GLU 125 -3.191 -10.279 14.568 976 H LYS 126 H LYS 126 -4.793 -9.992 9.946 977 HA LYS 126 HA LYS 126 -7.211 -11.508 9.722 978 1HB LYS 126 1HB LYS 126 -6.986 -9.028 9.800 979 2HB LYS 126 2HB LYS 126 -6.418 -9.040 8.117 980 1HG LYS 126 1HG LYS 126 -8.640 -10.081 7.477 981 2HG LYS 126 2HG LYS 126 -9.097 -10.008 9.194 982 1HD LYS 126 1HD LYS 126 -9.982 -8.004 8.599 983 2HD LYS 126 2HD LYS 126 -8.361 -7.443 8.927 984 1HE LYS 126 1HE LYS 126 -8.532 -6.507 6.865 985 2HE LYS 126 2HE LYS 126 -8.012 -8.101 6.315 986 1HZ LYS 126 1HZ LYS 126 -9.957 -7.266 5.134 987 2HZ LYS 126 2HZ LYS 126 -10.341 -8.651 5.927 988 3HZ LYS 126 3HZ LYS 126 -10.820 -7.190 6.526 989 H LEU 127 H LEU 127 -4.961 -10.432 7.074 990 HA LEU 127 HA LEU 127 -6.133 -12.248 5.177 991 1HB LEU 127 1HB LEU 127 -3.348 -11.074 4.924 992 2HB LEU 127 2HB LEU 127 -4.489 -11.494 3.663 993 HG LEU 127 HG LEU 127 -4.546 -9.107 5.530 994 1HD1 LEU 127 1HD1 LEU 127 -4.248 -7.824 3.487 995 2HD1 LEU 127 2HD1 LEU 127 -3.004 -9.083 3.570 996 3HD1 LEU 127 3HD1 LEU 127 -4.396 -9.285 2.499 997 1HD2 LEU 127 1HD2 LEU 127 -6.558 -8.304 4.377 998 2HD2 LEU 127 2HD2 LEU 127 -6.691 -9.869 3.535 999 3HD2 LEU 127 3HD2 LEU 127 -6.878 -9.781 5.297 1000 H GLY 128 H GLY 128 -3.223 -12.213 7.226 1001 1HA GLY 128 1HA GLY 128 -2.133 -14.301 7.927 1002 2HA GLY 128 2HA GLY 128 -2.499 -14.964 6.331 1003 H MET 129 H MET 129 -1.384 -11.608 6.960 1004 HA MET 129 HA MET 129 0.906 -12.112 5.173 1005 1HB MET 129 2HB MET 129 -0.359 -9.647 6.336 1006 2HB MET 129 3HB MET 129 1.337 -9.565 5.910 1007 1HG MET 129 2HG MET 129 -0.718 -10.549 3.934 1008 2HG MET 129 3HG MET 129 -0.373 -8.847 4.189 1009 1HE MET 129 1HE MET 129 2.394 -12.031 3.740 1010 2HE MET 129 2HE MET 129 0.936 -12.214 2.722 1011 3HE MET 129 3HE MET 129 2.493 -11.771 1.996 Start of MODEL 7 1 1H MET 1 H MET 1 18.036 -18.677 0.646 2 2H MET 1 2HN MET 1 19.249 -19.680 1.119 3 3H MET 1 3HN MET 1 17.678 -20.183 1.228 4 HA MET 1 HA MET 1 18.468 -19.665 3.358 5 1HB MET 1 2HB MET 1 19.263 -17.115 1.971 6 2HB MET 1 3HB MET 1 18.801 -17.039 3.679 7 1HG MET 1 2HG MET 1 20.495 -18.613 4.316 8 2HG MET 1 3HG MET 1 20.822 -19.036 2.642 9 1HE MET 1 1HE MET 1 21.391 -16.338 5.492 10 2HE MET 1 2HE MET 1 22.070 -15.001 4.536 11 3HE MET 1 3HE MET 1 20.382 -15.488 4.305 12 H ALA 2 H ALA 2 16.933 -19.121 4.863 13 HA ALA 2 HA ALA 2 14.274 -18.316 3.984 14 1HB ALA 2 1HB ALA 2 14.607 -19.892 5.874 15 2HB ALA 2 2HB ALA 2 15.475 -18.625 6.775 16 3HB ALA 2 3HB ALA 2 13.757 -18.431 6.399 17 H ASP 3 H ASP 3 13.238 -16.492 5.037 18 HA ASP 3 HA ASP 3 12.776 -14.340 4.911 19 1HB ASP 3 1HB ASP 3 15.616 -13.628 5.671 20 2HB ASP 3 2HB ASP 3 14.248 -12.535 5.514 21 H LYS 4 H LYS 4 12.358 -14.646 2.766 22 HA LYS 4 HA LYS 4 14.427 -14.530 0.716 23 1HB LYS 4 1HB LYS 4 11.401 -14.739 0.674 24 2HB LYS 4 2HB LYS 4 12.374 -14.727 -0.803 25 1HG LYS 4 1HG LYS 4 13.130 -16.841 -0.549 26 2HG LYS 4 2HG LYS 4 13.364 -16.693 1.185 27 1HD LYS 4 1HD LYS 4 11.693 -18.387 0.695 28 2HD LYS 4 2HD LYS 4 11.002 -17.049 1.623 29 1HE LYS 4 1HE LYS 4 10.050 -16.093 -0.468 30 2HE LYS 4 2HE LYS 4 10.732 -17.443 -1.401 31 1HZ LYS 4 1HZ LYS 4 9.330 -18.941 -0.199 32 2HZ LYS 4 2HZ LYS 4 8.838 -17.780 0.839 33 3HZ LYS 4 3HZ LYS 4 8.362 -17.698 -0.721 34 H GLU 5 H GLU 5 14.287 -12.187 2.375 35 HA GLU 5 HA GLU 5 14.093 -9.967 2.461 36 1HB GLU 5 1HB GLU 5 16.101 -10.396 1.059 37 2HB GLU 5 2HB GLU 5 15.152 -10.137 -0.392 38 1HG GLU 5 1HG GLU 5 15.029 -7.848 -0.024 39 2HG GLU 5 2HG GLU 5 15.033 -8.006 1.736 40 H LEU 6 H LEU 6 11.747 -10.644 2.481 41 HA LEU 6 HA LEU 6 10.010 -10.349 0.283 42 1HB LEU 6 1HB LEU 6 9.352 -11.379 2.363 43 2HB LEU 6 2HB LEU 6 9.464 -9.843 3.216 44 HG LEU 6 HG LEU 6 7.762 -9.493 0.864 45 1HD1 LEU 6 1HD1 LEU 6 6.879 -11.733 2.680 46 2HD1 LEU 6 2HD1 LEU 6 5.931 -10.988 1.383 47 3HD1 LEU 6 3HD1 LEU 6 7.391 -11.907 0.977 48 1HD2 LEU 6 1HD2 LEU 6 6.132 -8.757 2.555 49 2HD2 LEU 6 2HD2 LEU 6 7.127 -9.464 3.845 50 3HD2 LEU 6 3HD2 LEU 6 7.745 -8.106 2.878 51 H LYS 7 H LYS 7 9.886 -8.658 -1.050 52 HA LYS 7 HA LYS 7 10.639 -6.003 -0.130 53 1HB LYS 7 1HB LYS 7 10.315 -5.198 -2.359 54 2HB LYS 7 2HB LYS 7 11.268 -6.653 -2.411 55 1HG LYS 7 1HG LYS 7 8.283 -6.596 -2.962 56 2HG LYS 7 2HG LYS 7 9.473 -6.030 -4.128 57 1HD LYS 7 1HD LYS 7 10.608 -8.420 -3.527 58 2HD LYS 7 2HD LYS 7 8.906 -8.813 -3.197 59 1HE LYS 7 1HE LYS 7 8.415 -7.810 -5.545 60 2HE LYS 7 2HE LYS 7 10.154 -7.700 -5.770 61 1HZ LYS 7 1HZ LYS 7 9.284 -9.719 -6.725 62 2HZ LYS 7 2HZ LYS 7 10.296 -10.120 -5.498 63 3HZ LYS 7 3HZ LYS 7 8.658 -10.227 -5.296 64 H PHE 8 H PHE 8 9.306 -4.155 -0.968 65 HA PHE 8 HA PHE 8 6.406 -4.346 -0.246 66 1HB PHE 8 1HB PHE 8 8.596 -2.961 1.276 67 2HB PHE 8 2HB PHE 8 7.127 -2.046 1.016 68 HD1 PHE 8 1HD PHE 8 8.164 -5.476 2.270 69 HD2 PHE 8 2HD PHE 8 5.438 -2.140 2.549 70 HE1 PHE 8 1HE PHE 8 7.024 -6.536 4.194 71 HE2 PHE 8 2HE PHE 8 4.320 -3.230 4.488 72 HZ PHE 8 HZ PHE 8 5.129 -5.423 5.312 73 H LEU 9 H LEU 9 5.516 -3.631 -2.240 74 HA LEU 9 HA LEU 9 6.857 -1.470 -3.695 75 1HB LEU 9 1HB LEU 9 5.444 -3.298 -4.834 76 2HB LEU 9 2HB LEU 9 4.042 -2.546 -4.085 77 HG LEU 9 HG LEU 9 4.752 -0.360 -5.198 78 1HD1 LEU 9 1HD1 LEU 9 6.201 -0.619 -7.254 79 2HD1 LEU 9 2HD1 LEU 9 7.057 -0.735 -5.734 80 3HD1 LEU 9 3HD1 LEU 9 6.688 -2.217 -6.644 81 1HD2 LEU 9 1HD2 LEU 9 2.933 -1.735 -6.065 82 2HD2 LEU 9 2HD2 LEU 9 3.844 -0.984 -7.379 83 3HD2 LEU 9 3HD2 LEU 9 4.092 -2.706 -7.007 84 H VAL 10 H VAL 10 6.417 0.663 -3.375 85 HA VAL 10 HA VAL 10 4.132 1.456 -1.625 86 HB VAL 10 HB VAL 10 7.073 1.950 -1.106 87 1HG1 VAL 10 1HG1 VAL 10 4.742 3.384 0.209 88 2HG1 VAL 10 2HG1 VAL 10 6.439 3.464 0.738 89 3HG1 VAL 10 3HG1 VAL 10 5.966 4.119 -0.823 90 1HG2 VAL 10 1HG2 VAL 10 6.723 1.107 1.097 91 2HG2 VAL 10 2HG2 VAL 10 4.998 0.887 0.800 92 3HG2 VAL 10 3HG2 VAL 10 6.192 -0.093 -0.072 93 H VAL 11 H VAL 11 3.019 2.504 -3.175 94 HA VAL 11 HA VAL 11 4.418 4.340 -5.046 95 HB VAL 11 HB VAL 11 1.712 3.090 -5.644 96 1HG1 VAL 11 1HG1 VAL 11 3.945 4.224 -7.373 97 2HG1 VAL 11 2HG1 VAL 11 2.416 3.541 -7.932 98 3HG1 VAL 11 3HG1 VAL 11 2.413 5.026 -6.983 99 1HG2 VAL 11 1HG2 VAL 11 3.092 1.165 -5.273 100 2HG2 VAL 11 2HG2 VAL 11 2.953 1.410 -6.992 101 3HG2 VAL 11 3HG2 VAL 11 4.452 1.886 -6.188 102 H ASP 12 H ASP 12 4.144 5.813 -2.968 103 HA ASP 12 HA ASP 12 1.535 6.941 -2.487 104 1HB ASP 12 1HB ASP 12 4.305 8.127 -2.048 105 2HB ASP 12 2HB ASP 12 2.788 8.763 -1.421 106 H ASP 13 H ASP 13 0.715 8.969 -3.385 107 HA ASP 13 HA ASP 13 1.653 9.811 -6.009 108 1HB ASP 13 1HB ASP 13 -0.670 10.126 -5.380 109 2HB ASP 13 2HB ASP 13 -0.216 11.167 -4.023 110 H PHE 14 H PHE 14 1.991 10.938 -2.689 111 HA PHE 14 HA PHE 14 3.413 13.394 -3.452 112 1HB PHE 14 1HB PHE 14 1.601 13.526 -1.851 113 2HB PHE 14 2HB PHE 14 2.257 12.231 -0.892 114 HD1 PHE 14 1HD PHE 14 4.509 14.962 -2.140 115 HD2 PHE 14 2HD PHE 14 2.060 13.572 1.144 116 HE1 PHE 14 1HE PHE 14 5.428 16.698 -0.699 117 HE2 PHE 14 2HE PHE 14 3.014 15.345 2.583 118 HZ PHE 14 HZ PHE 14 4.637 16.961 1.651 119 H SER 15 H SER 15 5.619 13.216 -3.712 120 HA SER 15 HA SER 15 7.001 10.847 -3.243 121 1HB SER 15 1HB SER 15 7.629 12.891 -4.721 122 2HB SER 15 2HB SER 15 8.375 13.532 -3.248 123 HG SER 15 HG SER 15 9.156 11.549 -4.970 124 H THR 16 H THR 16 7.051 13.851 -1.137 125 HA THR 16 HA THR 16 8.731 12.877 0.831 126 HB THR 16 HB THR 16 6.238 14.542 1.272 127 HG1 THR 16 1HG THR 16 7.570 16.289 0.855 128 1HG2 THR 16 1HG2 THR 16 8.823 14.205 2.817 129 2HG2 THR 16 2HG2 THR 16 7.782 15.623 3.014 130 3HG2 THR 16 3HG2 THR 16 7.140 14.027 3.381 131 H MET 17 H MET 17 5.239 12.145 0.380 132 HA MET 17 HA MET 17 4.817 10.787 2.850 133 1HB MET 17 1HB MET 17 3.225 11.653 0.950 134 2HB MET 17 2HB MET 17 3.426 10.043 0.280 135 1HG MET 17 1HG MET 17 2.536 9.107 2.391 136 2HG MET 17 2HG MET 17 2.394 10.765 3.028 137 1HE MET 17 1HE MET 17 -0.140 10.871 3.558 138 2HE MET 17 2HE MET 17 -1.349 10.046 2.570 139 3HE MET 17 3HE MET 17 -0.046 9.105 3.323 140 H ARG 18 H ARG 18 6.157 9.795 -0.321 141 HA ARG 18 HA ARG 18 6.200 6.969 0.164 142 1HB ARG 18 1HB ARG 18 6.542 8.612 -2.002 143 2HB ARG 18 2HB ARG 18 8.231 8.322 -1.617 144 1HG ARG 18 1HG ARG 18 7.895 5.910 -1.919 145 2HG ARG 18 2HG ARG 18 6.156 6.146 -2.118 146 1HD ARG 18 1HD ARG 18 7.247 5.824 -4.289 147 2HD ARG 18 2HD ARG 18 6.486 7.410 -4.149 148 HE ARG 18 HE ARG 18 9.274 7.545 -3.408 149 1HH1 ARG 18 2HH2 ARG 18 7.162 7.418 -6.264 150 2HH1 ARG 18 1HH2 ARG 18 8.285 8.240 -7.300 151 1HH2 ARG 18 2HH1 ARG 18 10.680 8.643 -4.665 152 2HH2 ARG 18 1HH1 ARG 18 10.383 8.947 -6.372 153 H ARG 19 H ARG 19 8.553 9.595 0.592 154 HA ARG 19 HA ARG 19 10.748 8.071 1.637 155 1HB ARG 19 1HB ARG 19 10.009 10.859 2.607 156 2HB ARG 19 2HB ARG 19 11.585 10.115 2.617 157 1HG ARG 19 1HG ARG 19 10.098 10.997 0.111 158 2HG ARG 19 2HG ARG 19 11.256 11.953 1.002 159 1HD ARG 19 1HD ARG 19 12.931 10.033 0.570 160 2HD ARG 19 2HD ARG 19 11.769 9.472 -0.640 161 HE ARG 19 HE ARG 19 11.947 11.638 -1.771 162 1HH1 ARG 19 2HH2 ARG 19 14.551 11.031 0.566 163 2HH1 ARG 19 1HH2 ARG 19 15.484 12.395 0.118 164 1HH2 ARG 19 2HH1 ARG 19 13.160 13.336 -2.470 165 2HH2 ARG 19 1HH1 ARG 19 14.751 13.675 -1.834 166 H ILE 20 H ILE 20 8.056 9.756 3.286 167 HA ILE 20 HA ILE 20 8.698 8.981 5.912 168 HB ILE 20 HB ILE 20 6.300 10.129 4.543 169 1HG1 ILE 20 1HG1 ILE 20 6.473 11.739 6.442 170 2HG1 ILE 20 2HG1 ILE 20 7.766 10.780 7.154 171 1HG2 ILE 20 1HG2 ILE 20 5.193 8.414 5.889 172 2HG2 ILE 20 2HG2 ILE 20 6.115 8.919 7.323 173 3HG2 ILE 20 3HG2 ILE 20 4.923 10.005 6.579 174 1HD1 ILE 20 1HD1 ILE 20 9.215 11.352 5.183 175 2HD1 ILE 20 2HD1 ILE 20 7.877 12.332 4.550 176 3HD1 ILE 20 3HD1 ILE 20 8.645 12.777 6.072 177 H VAL 21 H VAL 21 6.178 7.396 3.798 178 HA VAL 21 HA VAL 21 5.642 5.286 5.464 179 HB VAL 21 HB VAL 21 5.757 5.320 2.411 180 1HG1 VAL 21 1HG1 VAL 21 4.153 3.382 2.535 181 2HG1 VAL 21 2HG1 VAL 21 5.781 2.966 3.056 182 3HG1 VAL 21 3HG1 VAL 21 4.513 3.232 4.273 183 1HG2 VAL 21 1HG2 VAL 21 3.347 5.623 2.546 184 2HG2 VAL 21 2HG2 VAL 21 3.377 5.453 4.314 185 3HG2 VAL 21 3HG2 VAL 21 4.092 6.876 3.516 186 H ARG 22 H ARG 22 8.512 5.404 3.122 187 HA ARG 22 HA ARG 22 9.369 2.779 3.684 188 1HB ARG 22 1HB ARG 22 10.631 5.389 2.743 189 2HB ARG 22 2HB ARG 22 11.549 3.911 2.889 190 1HG ARG 22 1HG ARG 22 10.249 2.771 1.248 191 2HG ARG 22 2HG ARG 22 8.949 3.906 1.350 192 1HD ARG 22 1HD ARG 22 10.611 5.696 0.467 193 2HD ARG 22 2HD ARG 22 11.642 4.325 0.023 194 HE ARG 22 HE ARG 22 8.912 4.979 -0.917 195 1HH1 ARG 22 2HH2 ARG 22 11.832 3.169 -1.661 196 2HH1 ARG 22 1HH2 ARG 22 11.049 1.944 -2.581 197 1HH2 ARG 22 2HH1 ARG 22 7.861 3.552 -2.449 198 2HH2 ARG 22 1HH1 ARG 22 8.722 2.224 -3.063 199 H ASN 23 H ASN 23 10.155 5.924 5.305 200 HA ASN 23 HA ASN 23 11.974 4.700 7.185 201 1HB ASN 23 1HB ASN 23 11.858 7.160 6.702 202 2HB ASN 23 2HB ASN 23 10.320 7.224 7.571 203 1HD2 ASN 23 1HD2 ASN 23 10.474 7.557 9.839 204 2HD2 ASN 23 2HD2 ASN 23 11.986 7.441 10.709 205 H LEU 24 H LEU 24 8.456 5.351 7.278 206 HA LEU 24 HA LEU 24 8.033 4.575 10.003 207 1HB LEU 24 1HB LEU 24 6.072 4.293 7.688 208 2HB LEU 24 2HB LEU 24 5.685 4.259 9.400 209 HG LEU 24 HG LEU 24 6.571 6.655 7.787 210 1HD1 LEU 24 1HD1 LEU 24 4.339 5.991 7.394 211 2HD1 LEU 24 2HD1 LEU 24 3.978 5.918 9.123 212 3HD1 LEU 24 3HD1 LEU 24 4.341 7.482 8.340 213 1HD2 LEU 24 1HD2 LEU 24 6.139 7.953 9.918 214 2HD2 LEU 24 2HD2 LEU 24 6.369 6.404 10.771 215 3HD2 LEU 24 3HD2 LEU 24 7.662 7.074 9.791 216 H LEU 25 H LEU 25 8.185 2.710 6.998 217 HA LEU 25 HA LEU 25 7.440 0.166 8.158 218 1HB LEU 25 1HB LEU 25 8.892 1.075 5.653 219 2HB LEU 25 2HB LEU 25 8.931 -0.622 6.102 220 HG LEU 25 HG LEU 25 6.271 0.821 6.075 221 1HD1 LEU 25 1HD1 LEU 25 7.291 1.369 3.906 222 2HD1 LEU 25 2HD1 LEU 25 7.544 -0.365 3.591 223 3HD1 LEU 25 3HD1 LEU 25 5.896 0.296 3.751 224 1HD2 LEU 25 1HD2 LEU 25 6.519 -1.549 6.949 225 2HD2 LEU 25 2HD2 LEU 25 5.396 -1.386 5.583 226 3HD2 LEU 25 3HD2 LEU 25 7.026 -2.031 5.325 227 H LYS 26 H LYS 26 10.633 1.663 7.380 228 HA LYS 26 HA LYS 26 12.088 -0.427 8.612 229 1HB LYS 26 1HB LYS 26 12.849 2.392 7.768 230 2HB LYS 26 2HB LYS 26 14.005 1.271 8.517 231 1HG LYS 26 1HG LYS 26 13.333 -0.471 6.823 232 2HG LYS 26 2HG LYS 26 12.417 0.764 5.949 233 1HD LYS 26 1HD LYS 26 14.411 1.963 5.367 234 2HD LYS 26 2HD LYS 26 15.338 1.150 6.646 235 1HE LYS 26 1HE LYS 26 14.711 -1.055 5.403 236 2HE LYS 26 2HE LYS 26 14.399 -0.008 4.006 237 1HZ LYS 26 1HZ LYS 26 16.922 -0.134 5.553 238 2HZ LYS 26 2HZ LYS 26 16.660 -0.944 4.163 239 3HZ LYS 26 3HZ LYS 26 16.715 0.716 4.164 240 H GLU 27 H GLU 27 10.643 2.325 10.232 241 HA GLU 27 HA GLU 27 11.935 2.197 12.736 242 1HB GLU 27 1HB GLU 27 9.039 2.491 11.866 243 2HB GLU 27 2HB GLU 27 9.438 2.462 13.571 244 1HG GLU 27 1HG GLU 27 10.813 4.418 11.692 245 2HG GLU 27 2HG GLU 27 9.232 4.753 12.402 246 H LEU 28 H LEU 28 9.814 -0.118 11.158 247 HA LEU 28 HA LEU 28 9.628 -1.868 13.533 248 1HB LEU 28 1HB LEU 28 8.081 -2.028 10.943 249 2HB LEU 28 2HB LEU 28 7.683 -2.772 12.488 250 HG LEU 28 HG LEU 28 7.639 0.236 11.905 251 1HD1 LEU 28 1HD1 LEU 28 5.980 -1.001 10.629 252 2HD1 LEU 28 2HD1 LEU 28 5.364 -1.752 12.122 253 3HD1 LEU 28 3HD1 LEU 28 5.230 0.014 11.873 254 1HD2 LEU 28 1HD2 LEU 28 8.026 -0.237 14.300 255 2HD2 LEU 28 2HD2 LEU 28 6.415 0.428 14.031 256 3HD2 LEU 28 3HD2 LEU 28 6.612 -1.316 14.314 257 H GLY 29 H GLY 29 10.461 -1.878 10.026 258 1HA GLY 29 1HA GLY 29 12.580 -3.531 9.885 259 2HA GLY 29 2HA GLY 29 11.225 -4.675 10.026 260 H PHE 30 H PHE 30 11.311 -5.388 7.842 261 HA PHE 30 HA PHE 30 10.347 -5.509 5.808 262 1HB PHE 30 1HB PHE 30 8.934 -2.908 6.422 263 2HB PHE 30 2HB PHE 30 8.451 -4.151 5.285 264 HD1 PHE 30 1HD PHE 30 7.917 -6.531 6.283 265 HD2 PHE 30 2HD PHE 30 8.222 -2.960 8.682 266 HE1 PHE 30 1HE PHE 30 6.710 -7.665 8.121 267 HE2 PHE 30 2HE PHE 30 7.060 -4.136 10.551 268 HZ PHE 30 HZ PHE 30 6.313 -6.473 10.276 269 H ASN 31 H ASN 31 12.667 -5.109 5.531 270 HA ASN 31 HA ASN 31 13.545 -2.648 4.249 271 1HB ASN 31 1HB ASN 31 15.012 -4.220 5.590 272 2HB ASN 31 2HB ASN 31 14.851 -5.400 4.283 273 1HD2 ASN 31 1HD2 ASN 31 17.282 -5.211 4.253 274 2HD2 ASN 31 2HD2 ASN 31 17.988 -3.931 3.284 275 H ASN 32 H ASN 32 14.672 -2.998 2.037 276 HA ASN 32 HA ASN 32 14.495 -3.050 -0.138 277 1HB ASN 32 1HB ASN 32 14.763 -5.624 0.556 278 2HB ASN 32 2HB ASN 32 13.234 -5.765 -0.302 279 1HD2 ASN 32 1HD2 ASN 32 13.769 -6.378 -2.522 280 2HD2 ASN 32 2HD2 ASN 32 14.987 -5.538 -3.464 281 H VAL 33 H VAL 33 12.563 -1.531 0.779 282 HA VAL 33 HA VAL 33 10.037 -1.940 -0.449 283 HB VAL 33 HB VAL 33 10.132 0.664 -0.510 284 1HG1 VAL 33 1HG1 VAL 33 9.808 0.743 1.998 285 2HG1 VAL 33 2HG1 VAL 33 8.859 -0.476 1.148 286 3HG1 VAL 33 3HG1 VAL 33 10.303 -0.954 2.060 287 1HG2 VAL 33 1HG2 VAL 33 12.724 0.616 -0.392 288 2HG2 VAL 33 2HG2 VAL 33 11.938 1.750 0.679 289 3HG2 VAL 33 3HG2 VAL 33 12.534 0.234 1.334 290 H GLU 34 H GLU 34 9.261 -0.831 -2.460 291 HA GLU 34 HA GLU 34 11.264 -0.513 -4.628 292 1HB GLU 34 1HB GLU 34 9.714 -2.850 -4.197 293 2HB GLU 34 2HB GLU 34 8.827 -1.980 -5.411 294 1HG GLU 34 1HG GLU 34 11.815 -2.440 -5.735 295 2HG GLU 34 2HG GLU 34 10.663 -3.710 -6.106 296 H GLU 35 H GLU 35 10.154 0.564 -6.567 297 HA GLU 35 HA GLU 35 8.088 2.510 -5.636 298 1HB GLU 35 1HB GLU 35 10.832 3.049 -6.871 299 2HB GLU 35 2HB GLU 35 9.499 4.221 -6.977 300 1HG GLU 35 1HG GLU 35 9.316 4.326 -4.581 301 2HG GLU 35 2HG GLU 35 10.589 3.083 -4.419 302 H ALA 36 H ALA 36 6.465 2.522 -7.036 303 HA ALA 36 HA ALA 36 7.080 2.153 -9.920 304 1HB ALA 36 1HB ALA 36 5.173 0.732 -9.172 305 2HB ALA 36 2HB ALA 36 4.372 2.198 -8.539 306 3HB ALA 36 3HB ALA 36 4.663 2.045 -10.252 307 H GLU 37 H GLU 37 6.075 4.058 -11.159 308 HA GLU 37 HA GLU 37 6.436 6.543 -9.619 309 1HB GLU 37 1HB GLU 37 5.933 7.697 -11.695 310 2HB GLU 37 2HB GLU 37 7.258 6.554 -11.842 311 1HG GLU 37 1HG GLU 37 5.882 4.956 -13.022 312 2HG GLU 37 2HG GLU 37 4.426 5.923 -12.765 313 H ASP 38 H ASP 38 3.667 4.533 -10.712 314 HA ASP 38 HA ASP 38 1.772 6.124 -9.253 315 1HB ASP 38 1HB ASP 38 0.525 7.032 -10.975 316 2HB ASP 38 2HB ASP 38 2.167 7.408 -11.448 317 H GLY 39 H GLY 39 -0.495 5.127 -9.737 318 1HA GLY 39 1HA GLY 39 -0.546 2.441 -9.214 319 2HA GLY 39 2HA GLY 39 -1.914 3.336 -9.870 320 H VAL 40 H VAL 40 -0.385 3.760 -12.581 321 HA VAL 40 HA VAL 40 -1.360 1.247 -13.785 322 HB VAL 40 HB VAL 40 -0.188 3.843 -14.841 323 1HG1 VAL 40 1HG1 VAL 40 0.814 2.124 -16.256 324 2HG1 VAL 40 2HG1 VAL 40 -0.764 1.336 -16.471 325 3HG1 VAL 40 3HG1 VAL 40 -0.466 2.955 -17.141 326 1HG2 VAL 40 1HG2 VAL 40 -2.645 3.698 -14.261 327 2HG2 VAL 40 2HG2 VAL 40 -2.327 4.051 -15.966 328 3HG2 VAL 40 3HG2 VAL 40 -2.809 2.417 -15.465 329 H ASP 41 H ASP 41 1.683 3.015 -13.202 330 HA ASP 41 HA ASP 41 3.409 0.956 -14.135 331 1HB ASP 41 1HB ASP 41 3.939 3.387 -13.855 332 2HB ASP 41 2HB ASP 41 3.944 3.165 -12.114 333 H ALA 42 H ALA 42 1.789 1.470 -10.937 334 HA ALA 42 HA ALA 42 3.256 -0.356 -9.434 335 1HB ALA 42 1HB ALA 42 1.547 1.377 -8.624 336 2HB ALA 42 2HB ALA 42 0.284 0.260 -9.139 337 3HB ALA 42 3HB ALA 42 1.416 -0.240 -7.889 338 H LEU 43 H LEU 43 0.145 -0.772 -11.198 339 HA LEU 43 HA LEU 43 -0.184 -3.533 -10.674 340 1HB LEU 43 1HB LEU 43 -1.874 -1.954 -11.716 341 2HB LEU 43 2HB LEU 43 -0.955 -2.057 -13.217 342 HG LEU 43 HG LEU 43 -1.279 -4.688 -12.882 343 1HD1 LEU 43 1HD1 LEU 43 -3.297 -5.322 -11.740 344 2HD1 LEU 43 2HD1 LEU 43 -2.292 -4.431 -10.599 345 3HD1 LEU 43 3HD1 LEU 43 -3.677 -3.623 -11.350 346 1HD2 LEU 43 1HD2 LEU 43 -2.176 -3.446 -14.774 347 2HD2 LEU 43 2HD2 LEU 43 -3.396 -4.569 -14.160 348 3HD2 LEU 43 3HD2 LEU 43 -3.512 -2.830 -13.782 349 H ASN 44 H ASN 44 1.466 -1.858 -13.353 350 HA ASN 44 HA ASN 44 2.339 -4.209 -14.708 351 1HB ASN 44 1HB ASN 44 2.128 -1.939 -15.659 352 2HB ASN 44 2HB ASN 44 3.525 -1.405 -14.732 353 1HD2 ASN 44 1HD2 ASN 44 5.570 -1.790 -15.648 354 2HD2 ASN 44 2HD2 ASN 44 5.807 -2.711 -17.124 355 H LYS 45 H LYS 45 3.745 -2.457 -11.941 356 HA LYS 45 HA LYS 45 6.227 -3.939 -11.846 357 1HB LYS 45 1HB LYS 45 4.896 -1.953 -10.161 358 2HB LYS 45 2HB LYS 45 5.327 -3.340 -9.183 359 1HG LYS 45 1HG LYS 45 7.136 -1.841 -9.033 360 2HG LYS 45 2HG LYS 45 7.687 -3.152 -10.083 361 1HD LYS 45 1HD LYS 45 7.398 -1.820 -12.038 362 2HD LYS 45 2HD LYS 45 6.533 -0.552 -11.149 363 1HE LYS 45 1HE LYS 45 8.796 0.153 -11.690 364 2HE LYS 45 2HE LYS 45 8.537 0.080 -9.945 365 1HZ LYS 45 1HZ LYS 45 9.792 -1.925 -9.845 366 2HZ LYS 45 2HZ LYS 45 9.917 -2.029 -11.506 367 3HZ LYS 45 3HZ LYS 45 10.663 -0.828 -10.673 368 H LEU 46 H LEU 46 3.010 -4.417 -10.224 369 HA LEU 46 HA LEU 46 3.666 -6.762 -8.886 370 1HB LEU 46 1HB LEU 46 0.952 -6.499 -10.210 371 2HB LEU 46 2HB LEU 46 1.352 -7.286 -8.693 372 HG LEU 46 HG LEU 46 1.268 -4.345 -9.246 373 1HD1 LEU 46 1HD1 LEU 46 -0.856 -5.516 -9.154 374 2HD1 LEU 46 2HD1 LEU 46 -0.482 -6.046 -7.495 375 3HD1 LEU 46 3HD1 LEU 46 -0.621 -4.307 -7.882 376 1HD2 LEU 46 1HD2 LEU 46 1.720 -5.635 -6.543 377 2HD2 LEU 46 2HD2 LEU 46 3.006 -4.846 -7.499 378 3HD2 LEU 46 3HD2 LEU 46 1.627 -3.898 -6.944 379 H GLN 47 H GLN 47 2.555 -6.449 -12.272 380 HA GLN 47 HA GLN 47 2.588 -9.295 -12.726 381 1HB GLN 47 1HB GLN 47 2.499 -6.931 -14.647 382 2HB GLN 47 2HB GLN 47 2.417 -8.619 -15.143 383 1HG GLN 47 1HG GLN 47 0.456 -8.794 -13.375 384 2HG GLN 47 2HG GLN 47 0.380 -7.039 -13.572 385 1HE2 GLN 47 1HE2 GLN 47 0.483 -10.117 -15.476 386 2HE2 GLN 47 2HE2 GLN 47 -0.607 -9.564 -16.739 387 H ALA 48 H ALA 48 5.251 -7.273 -12.314 388 HA ALA 48 HA ALA 48 7.073 -8.796 -14.044 389 1HB ALA 48 1HB ALA 48 7.774 -6.976 -11.712 390 2HB ALA 48 2HB ALA 48 8.834 -7.527 -13.017 391 3HB ALA 48 3HB ALA 48 7.514 -6.395 -13.360 392 H GLY 49 H GLY 49 5.581 -9.180 -10.851 393 1HA GLY 49 1HA GLY 49 5.954 -11.759 -10.474 394 2HA GLY 49 2HA GLY 49 7.558 -11.179 -9.983 395 H GLY 50 H GLY 50 6.062 -12.477 -8.159 396 1HA GLY 50 1HA GLY 50 4.151 -11.087 -6.706 397 2HA GLY 50 2HA GLY 50 5.120 -12.422 -6.110 398 H TYR 51 H TYR 51 4.454 -9.118 -5.756 399 HA TYR 51 HA TYR 51 6.829 -8.421 -4.113 400 1HB TYR 51 1HB TYR 51 4.162 -7.053 -4.686 401 2HB TYR 51 2HB TYR 51 5.328 -6.450 -3.510 402 HD1 TYR 51 1HD TYR 51 5.067 -7.433 -7.122 403 HD2 TYR 51 2HD TYR 51 7.109 -5.024 -4.208 404 HE1 TYR 51 1HE TYR 51 6.622 -6.690 -8.860 405 HE2 TYR 51 2HE TYR 51 8.583 -4.170 -5.978 406 HH TYR 51 HH TYR 51 9.072 -4.129 -8.332 407 H GLY 52 H GLY 52 6.469 -7.937 -1.704 408 1HA GLY 52 1HA GLY 52 4.739 -9.923 -0.414 409 2HA GLY 52 2HA GLY 52 5.739 -8.667 0.347 410 H PHE 53 H PHE 53 4.915 -6.389 -0.957 411 HA PHE 53 HA PHE 53 2.123 -6.095 -0.011 412 1HB PHE 53 1HB PHE 53 4.693 -5.022 1.025 413 2HB PHE 53 2HB PHE 53 3.452 -3.813 0.819 414 HD1 PHE 53 1HD PHE 53 4.105 -7.154 2.421 415 HD2 PHE 53 2HD PHE 53 1.723 -3.563 2.369 416 HE1 PHE 53 1HE PHE 53 3.041 -7.834 4.538 417 HE2 PHE 53 2HE PHE 53 0.715 -4.199 4.499 418 HZ PHE 53 HZ PHE 53 1.328 -6.382 5.601 419 H VAL 54 H VAL 54 0.906 -4.450 -0.783 420 HA VAL 54 HA VAL 54 1.972 -2.866 -3.059 421 HB VAL 54 HB VAL 54 -0.854 -3.995 -2.933 422 1HG1 VAL 54 1HG1 VAL 54 -0.616 -2.335 -4.639 423 2HG1 VAL 54 2HG1 VAL 54 1.000 -2.939 -5.096 424 3HG1 VAL 54 3HG1 VAL 54 -0.432 -3.881 -5.484 425 1HG2 VAL 54 1HG2 VAL 54 -0.187 -5.790 -4.371 426 2HG2 VAL 54 2HG2 VAL 54 1.545 -5.391 -4.148 427 3HG2 VAL 54 3HG2 VAL 54 0.547 -5.957 -2.784 428 H ILE 55 H ILE 55 2.366 -1.294 -1.339 429 HA ILE 55 HA ILE 55 0.014 -0.056 -0.087 430 HB ILE 55 HB ILE 55 2.904 0.805 0.142 431 1HG1 ILE 55 1HG1 ILE 55 1.458 -1.457 1.505 432 2HG1 ILE 55 2HG1 ILE 55 3.061 -1.444 0.784 433 1HG2 ILE 55 1HG2 ILE 55 1.181 2.412 0.909 434 2HG2 ILE 55 2HG2 ILE 55 0.563 1.177 2.031 435 3HG2 ILE 55 3HG2 ILE 55 2.207 1.854 2.220 436 1HD1 ILE 55 1HD1 ILE 55 2.286 -0.216 3.454 437 2HD1 ILE 55 2HD1 ILE 55 3.199 -1.693 3.176 438 3HD1 ILE 55 3HD1 ILE 55 3.905 -0.136 2.708 439 H SER 56 H SER 56 -0.948 1.820 -0.947 440 HA SER 56 HA SER 56 0.617 3.439 -2.819 441 1HB SER 56 1HB SER 56 -1.991 2.117 -3.710 442 2HB SER 56 2HB SER 56 -1.013 3.263 -4.643 443 HG SER 56 HG SER 56 0.594 1.324 -3.852 444 H ASP 57 H ASP 57 -0.422 5.415 -3.378 445 HA ASP 57 HA ASP 57 -2.326 6.446 -1.358 446 1HB ASP 57 1HB ASP 57 -0.541 7.946 -2.010 447 2HB ASP 57 2HB ASP 57 -0.921 7.729 -3.719 448 H TRP 58 H TRP 58 -4.197 7.732 -2.273 449 HA TRP 58 HA TRP 58 -5.909 5.972 -3.880 450 1HB TRP 58 1HB TRP 58 -6.639 7.078 -1.754 451 2HB TRP 58 2HB TRP 58 -6.413 8.648 -2.508 452 HD1 TRP 58 HD TRP 58 -8.144 9.199 -4.634 453 HE1 TRP 58 1HE TRP 58 -10.437 8.297 -5.231 454 HE3 TRP 58 3HE TRP 58 -8.241 5.233 -1.434 455 HZ2 TRP 58 2HZ TRP 58 -12.181 6.117 -4.355 456 HZ3 TRP 58 3HZ TRP 58 -10.240 3.752 -1.345 457 HH2 TRP 58 HH TRP 58 -12.167 4.172 -2.790 458 H ASN 59 H ASN 59 -4.450 9.249 -4.069 459 HA ASN 59 HA ASN 59 -6.340 10.126 -6.103 460 1HB ASN 59 1HB ASN 59 -5.613 11.493 -4.142 461 2HB ASN 59 2HB ASN 59 -3.970 11.528 -4.776 462 1HD2 ASN 59 1HD2 ASN 59 -3.743 12.491 -7.040 463 2HD2 ASN 59 2HD2 ASN 59 -4.743 13.871 -7.450 464 H MET 60 H MET 60 -5.689 8.584 -7.787 465 HA MET 60 HA MET 60 -3.115 9.315 -9.102 466 1HB MET 60 1HB MET 60 -3.396 6.987 -8.096 467 2HB MET 60 2HB MET 60 -4.571 6.686 -9.357 468 1HG MET 60 1HG MET 60 -1.649 7.389 -9.731 469 2HG MET 60 2HG MET 60 -2.402 5.805 -9.904 470 1HE MET 60 1HE MET 60 -1.938 5.759 -13.536 471 2HE MET 60 2HE MET 60 -1.183 5.462 -11.979 472 3HE MET 60 3HE MET 60 -2.808 4.830 -12.275 473 HA PRO 61 HA PRO 61 -6.021 11.179 -11.855 474 1HB PRO 61 1HB PRO 61 -4.423 11.660 -14.076 475 2HB PRO 61 2HB PRO 61 -4.403 12.625 -12.568 476 1HG PRO 61 1HG PRO 61 -2.565 10.359 -13.328 477 2HG PRO 61 2HG PRO 61 -2.145 11.971 -12.654 478 1HD PRO 61 1HD PRO 61 -2.287 9.829 -11.051 479 2HD PRO 61 2HD PRO 61 -2.981 11.383 -10.508 480 H ASN 62 H ASN 62 -4.112 8.475 -13.208 481 HA ASN 62 HA ASN 62 -6.107 8.078 -15.359 482 1HB ASN 62 1HB ASN 62 -3.476 6.673 -14.737 483 2HB ASN 62 2HB ASN 62 -4.591 6.161 -16.004 484 1HD2 ASN 62 1HD2 ASN 62 -1.784 8.064 -15.540 485 2HD2 ASN 62 2HD2 ASN 62 -2.037 9.034 -16.961 486 H MET 63 H MET 63 -4.691 5.295 -13.811 487 HA MET 63 HA MET 63 -7.333 4.238 -13.073 488 1HB MET 63 1HB MET 63 -5.635 2.837 -14.234 489 2HB MET 63 2HB MET 63 -4.503 3.109 -12.904 490 1HG MET 63 1HG MET 63 -6.003 1.942 -11.357 491 2HG MET 63 2HG MET 63 -7.216 1.795 -12.645 492 1HE MET 63 1HE MET 63 -3.200 -0.509 -12.742 493 2HE MET 63 2HE MET 63 -3.328 1.241 -12.960 494 3HE MET 63 3HE MET 63 -3.667 0.529 -11.372 495 H ASP 64 H ASP 64 -8.094 5.231 -11.183 496 HA ASP 64 HA ASP 64 -6.610 6.490 -9.206 497 1HB ASP 64 1HB ASP 64 -9.100 4.912 -8.575 498 2HB ASP 64 2HB ASP 64 -8.449 6.272 -7.694 499 H GLY 65 H GLY 65 -6.070 5.753 -6.928 500 1HA GLY 65 1HA GLY 65 -4.754 3.269 -6.702 501 2HA GLY 65 2HA GLY 65 -5.338 4.251 -5.354 502 H LEU 66 H LEU 66 -8.174 4.083 -6.289 503 HA LEU 66 HA LEU 66 -8.939 1.640 -4.995 504 1HB LEU 66 1HB LEU 66 -10.239 3.850 -5.088 505 2HB LEU 66 2HB LEU 66 -10.752 3.429 -6.708 506 HG LEU 66 HG LEU 66 -12.321 3.032 -4.778 507 1HD1 LEU 66 1HD1 LEU 66 -12.799 1.940 -6.921 508 2HD1 LEU 66 2HD1 LEU 66 -11.856 0.527 -6.398 509 3HD1 LEU 66 3HD1 LEU 66 -13.323 0.994 -5.521 510 1HD2 LEU 66 1HD2 LEU 66 -10.631 2.028 -3.239 511 2HD2 LEU 66 2HD2 LEU 66 -12.113 1.076 -3.438 512 3HD2 LEU 66 3HD2 LEU 66 -10.657 0.560 -4.267 513 H GLU 67 H GLU 67 -8.671 2.655 -8.389 514 HA GLU 67 HA GLU 67 -9.943 0.269 -9.443 515 1HB GLU 67 1HB GLU 67 -8.243 2.454 -10.716 516 2HB GLU 67 2HB GLU 67 -9.096 1.198 -11.621 517 1HG GLU 67 1HG GLU 67 -10.480 3.221 -9.803 518 2HG GLU 67 2HG GLU 67 -10.185 3.476 -11.514 519 H LEU 68 H LEU 68 -6.604 1.396 -8.876 520 HA LEU 68 HA LEU 68 -5.157 -0.819 -9.910 521 1HB LEU 68 1HB LEU 68 -3.987 1.142 -9.103 522 2HB LEU 68 2HB LEU 68 -4.710 0.988 -7.513 523 HG LEU 68 HG LEU 68 -3.436 -1.146 -7.138 524 1HD1 LEU 68 1HD1 LEU 68 -2.966 -1.869 -9.438 525 2HD1 LEU 68 2HD1 LEU 68 -2.102 -0.365 -9.752 526 3HD1 LEU 68 3HD1 LEU 68 -1.426 -1.536 -8.623 527 1HD2 LEU 68 1HD2 LEU 68 -1.288 -0.018 -6.735 528 2HD2 LEU 68 2HD2 LEU 68 -1.813 1.342 -7.752 529 3HD2 LEU 68 3HD2 LEU 68 -2.658 0.974 -6.239 530 H LEU 69 H LEU 69 -6.439 -0.307 -6.593 531 HA LEU 69 HA LEU 69 -5.918 -2.869 -5.511 532 1HB LEU 69 1HB LEU 69 -6.607 -1.330 -3.931 533 2HB LEU 69 2HB LEU 69 -7.812 -0.591 -4.983 534 HG LEU 69 HG LEU 69 -9.404 -2.291 -4.576 535 1HD1 LEU 69 1HD1 LEU 69 -7.759 -4.244 -4.095 536 2HD1 LEU 69 2HD1 LEU 69 -7.597 -3.498 -2.509 537 3HD1 LEU 69 3HD1 LEU 69 -9.174 -4.088 -3.042 538 1HD2 LEU 69 1HD2 LEU 69 -9.316 -0.451 -2.865 539 2HD2 LEU 69 2HD2 LEU 69 -9.740 -1.978 -2.095 540 3HD2 LEU 69 3HD2 LEU 69 -8.084 -1.355 -1.986 541 H LYS 70 H LYS 70 -8.952 -1.780 -7.187 542 HA LYS 70 HA LYS 70 -10.072 -4.425 -6.926 543 1HB LYS 70 1HB LYS 70 -10.746 -2.180 -8.851 544 2HB LYS 70 2HB LYS 70 -11.640 -3.703 -8.692 545 1HG LYS 70 1HG LYS 70 -12.039 -3.231 -6.309 546 2HG LYS 70 2HG LYS 70 -11.303 -1.630 -6.502 547 1HD LYS 70 1HD LYS 70 -13.035 -0.916 -8.036 548 2HD LYS 70 2HD LYS 70 -13.536 -2.578 -8.348 549 1HE LYS 70 1HE LYS 70 -14.234 -2.703 -5.887 550 2HE LYS 70 2HE LYS 70 -14.108 -0.929 -5.881 551 1HZ LYS 70 1HZ LYS 70 -16.309 -1.631 -6.373 552 2HZ LYS 70 2HZ LYS 70 -15.674 -0.925 -7.717 553 3HZ LYS 70 3HZ LYS 70 -15.801 -2.586 -7.635 554 H THR 71 H THR 71 -7.893 -3.150 -9.378 555 HA THR 71 HA THR 71 -8.369 -5.240 -11.324 556 HB THR 71 HB THR 71 -5.944 -3.451 -10.862 557 HG1 THR 71 1HG THR 71 -7.706 -2.201 -11.220 558 1HG2 THR 71 1HG2 THR 71 -6.868 -4.980 -13.334 559 2HG2 THR 71 2HG2 THR 71 -5.545 -3.804 -13.274 560 3HG2 THR 71 3HG2 THR 71 -5.428 -5.327 -12.377 561 H ILE 72 H ILE 72 -6.089 -4.783 -8.598 562 HA ILE 72 HA ILE 72 -4.948 -7.396 -8.724 563 HB ILE 72 HB ILE 72 -5.188 -5.579 -6.368 564 1HG1 ILE 72 1HG1 ILE 72 -2.824 -5.621 -8.187 565 2HG1 ILE 72 2HG1 ILE 72 -4.073 -4.478 -8.470 566 1HG2 ILE 72 1HG2 ILE 72 -4.522 -7.780 -5.699 567 2HG2 ILE 72 2HG2 ILE 72 -3.156 -7.742 -6.851 568 3HG2 ILE 72 3HG2 ILE 72 -3.218 -6.631 -5.464 569 1HD1 ILE 72 1HD1 ILE 72 -2.372 -4.665 -5.972 570 2HD1 ILE 72 2HD1 ILE 72 -2.398 -3.366 -7.173 571 3HD1 ILE 72 3HD1 ILE 72 -3.784 -3.591 -6.114 572 H ARG 73 H ARG 73 -7.588 -6.146 -6.691 573 HA ARG 73 HA ARG 73 -7.872 -8.466 -5.187 574 1HB ARG 73 1HB ARG 73 -8.929 -5.893 -5.183 575 2HB ARG 73 2HB ARG 73 -10.355 -6.816 -5.482 576 1HG ARG 73 1HG ARG 73 -8.411 -7.570 -3.210 577 2HG ARG 73 2HG ARG 73 -9.522 -6.248 -3.038 578 1HD ARG 73 1HD ARG 73 -10.600 -7.959 -1.944 579 2HD ARG 73 2HD ARG 73 -11.441 -7.822 -3.479 580 HE ARG 73 HE ARG 73 -10.504 -9.842 -4.222 581 1HH1 ARG 73 2HH2 ARG 73 -9.409 -9.245 -0.821 582 2HH1 ARG 73 1HH2 ARG 73 -8.801 -10.864 -0.702 583 1HH2 ARG 73 2HH1 ARG 73 -10.054 -12.011 -3.745 584 2HH2 ARG 73 1HH1 ARG 73 -9.142 -12.409 -2.298 585 H ALA 74 H ALA 74 -9.208 -7.911 -8.389 586 HA ALA 74 HA ALA 74 -11.477 -9.594 -8.176 587 1HB ALA 74 1HB ALA 74 -9.748 -8.842 -10.563 588 2HB ALA 74 2HB ALA 74 -11.259 -9.777 -10.680 589 3HB ALA 74 3HB ALA 74 -11.286 -8.124 -10.047 590 H ASP 75 H ASP 75 -8.540 -10.599 -10.021 591 HA ASP 75 HA ASP 75 -8.583 -13.273 -8.833 592 1HB ASP 75 1HB ASP 75 -9.610 -14.420 -10.699 593 2HB ASP 75 2HB ASP 75 -10.722 -13.267 -10.024 594 H GLY 76 H GLY 76 -6.747 -11.025 -10.356 595 1HA GLY 76 1HA GLY 76 -5.484 -12.403 -12.442 596 2HA GLY 76 2HA GLY 76 -4.886 -10.965 -11.618 597 H ALA 77 H ALA 77 -5.354 -13.919 -9.807 598 HA ALA 77 HA ALA 77 -4.055 -15.260 -8.622 599 1HB ALA 77 1HB ALA 77 -1.710 -14.754 -10.450 600 2HB ALA 77 2HB ALA 77 -2.034 -16.142 -9.395 601 3HB ALA 77 3HB ALA 77 -3.043 -15.872 -10.828 602 H MET 78 H MET 78 -4.044 -12.186 -8.449 603 HA MET 78 HA MET 78 -1.868 -11.895 -6.412 604 1HB MET 78 1HB MET 78 -2.864 -9.797 -8.380 605 2HB MET 78 2HB MET 78 -1.591 -9.612 -7.162 606 1HG MET 78 1HG MET 78 -0.414 -11.584 -8.312 607 2HG MET 78 2HG MET 78 -1.548 -11.369 -9.630 608 1HE MET 78 1HE MET 78 -1.595 -9.455 -11.300 609 2HE MET 78 2HE MET 78 -1.878 -8.259 -10.014 610 3HE MET 78 3HE MET 78 -0.599 -7.989 -11.214 611 H SER 79 H SER 79 -5.093 -12.340 -6.618 612 HA SER 79 HA SER 79 -6.259 -10.044 -5.528 613 1HB SER 79 1HB SER 79 -8.122 -11.612 -4.984 614 2HB SER 79 2HB SER 79 -7.572 -11.665 -6.659 615 HG SER 79 HG SER 79 -7.918 -13.672 -5.192 616 H ALA 80 H ALA 80 -4.361 -12.528 -3.902 617 HA ALA 80 HA ALA 80 -5.454 -11.946 -1.258 618 1HB ALA 80 1HB ALA 80 -3.009 -13.582 -2.030 619 2HB ALA 80 2HB ALA 80 -3.878 -13.611 -0.490 620 3HB ALA 80 3HB ALA 80 -4.671 -14.226 -1.958 621 H LEU 81 H LEU 81 -3.168 -10.327 -3.241 622 HA LEU 81 HA LEU 81 -1.091 -9.744 -1.431 623 1HB LEU 81 1HB LEU 81 -2.290 -8.317 -3.815 624 2HB LEU 81 2HB LEU 81 -1.149 -7.446 -2.822 625 HG LEU 81 HG LEU 81 -0.523 -10.095 -4.160 626 1HD1 LEU 81 1HD1 LEU 81 0.405 -8.991 -5.969 627 2HD1 LEU 81 2HD1 LEU 81 -0.867 -7.812 -5.592 628 3HD1 LEU 81 3HD1 LEU 81 0.807 -7.557 -5.071 629 1HD2 LEU 81 1HD2 LEU 81 1.255 -8.061 -2.703 630 2HD2 LEU 81 2HD2 LEU 81 0.921 -9.718 -2.190 631 3HD2 LEU 81 3HD2 LEU 81 1.851 -9.421 -3.661 632 HA PRO 82 HA PRO 82 -3.215 -6.879 1.345 633 1HB PRO 82 1HB PRO 82 -1.132 -5.774 2.682 634 2HB PRO 82 2HB PRO 82 -1.658 -7.469 2.936 635 1HG PRO 82 1HG PRO 82 0.622 -6.431 1.307 636 2HG PRO 82 2HG PRO 82 0.586 -7.882 2.347 637 1HD PRO 82 1HD PRO 82 0.268 -7.873 -0.439 638 2HD PRO 82 2HD PRO 82 -0.322 -9.167 0.636 639 H VAL 83 H VAL 83 -3.863 -5.928 -0.636 640 HA VAL 83 HA VAL 83 -2.827 -3.538 -1.810 641 HB VAL 83 HB VAL 83 -5.331 -3.286 -2.379 642 1HG1 VAL 83 1HG1 VAL 83 -3.647 -4.243 -3.876 643 2HG1 VAL 83 2HG1 VAL 83 -3.959 -5.862 -3.211 644 3HG1 VAL 83 3HG1 VAL 83 -5.237 -4.990 -4.090 645 1HG2 VAL 83 1HG2 VAL 83 -5.535 -6.069 -1.093 646 2HG2 VAL 83 2HG2 VAL 83 -6.396 -4.612 -0.631 647 3HG2 VAL 83 3HG2 VAL 83 -6.718 -5.385 -2.172 648 H LEU 84 H LEU 84 -2.423 -1.693 -0.642 649 HA LEU 84 HA LEU 84 -4.003 -1.311 1.877 650 1HB LEU 84 1HB LEU 84 -2.032 -2.654 2.231 651 2HB LEU 84 2HB LEU 84 -1.020 -1.476 1.400 652 HG LEU 84 HG LEU 84 -1.304 0.140 3.180 653 1HD1 LEU 84 1HD1 LEU 84 -3.575 -0.113 3.897 654 2HD1 LEU 84 2HD1 LEU 84 -3.354 -1.836 4.269 655 3HD1 LEU 84 3HD1 LEU 84 -2.618 -0.595 5.292 656 1HD2 LEU 84 1HD2 LEU 84 0.201 -2.050 3.301 657 2HD2 LEU 84 2HD2 LEU 84 0.127 -0.962 4.655 658 3HD2 LEU 84 3HD2 LEU 84 -0.856 -2.455 4.648 659 H MET 85 H MET 85 -4.896 0.619 1.989 660 HA MET 85 HA MET 85 -3.979 2.764 0.188 661 1HB MET 85 1HB MET 85 -6.268 2.582 2.192 662 2HB MET 85 2HB MET 85 -5.955 3.985 1.174 663 1HG MET 85 1HG MET 85 -6.506 1.182 0.117 664 2HG MET 85 2HG MET 85 -7.737 2.420 0.359 665 1HE MET 85 1HE MET 85 -7.577 2.340 -3.468 666 2HE MET 85 2HE MET 85 -7.169 0.910 -2.497 667 3HE MET 85 3HE MET 85 -8.504 1.985 -2.000 668 H VAL 86 H VAL 86 -2.615 4.378 0.780 669 HA VAL 86 HA VAL 86 -2.581 5.300 3.592 670 HB VAL 86 HB VAL 86 -0.093 4.821 1.882 671 1HG1 VAL 86 1HG1 VAL 86 1.115 5.542 3.958 672 2HG1 VAL 86 2HG1 VAL 86 0.191 6.834 3.222 673 3HG1 VAL 86 3HG1 VAL 86 -0.442 6.030 4.678 674 1HG2 VAL 86 1HG2 VAL 86 0.514 3.263 3.763 675 2HG2 VAL 86 2HG2 VAL 86 -1.161 3.477 4.383 676 3HG2 VAL 86 3HG2 VAL 86 -0.877 2.730 2.812 677 H THR 87 H THR 87 -3.599 7.294 3.324 678 HA THR 87 HA THR 87 -2.744 9.000 1.079 679 HB THR 87 HB THR 87 -4.341 7.396 0.125 680 HG1 THR 87 1HG THR 87 -4.313 9.331 -0.739 681 1HG2 THR 87 1HG2 THR 87 -6.709 7.389 0.752 682 2HG2 THR 87 2HG2 THR 87 -5.706 6.814 2.086 683 3HG2 THR 87 3HG2 THR 87 -6.376 8.459 2.131 684 H ALA 88 H ALA 88 -3.980 11.123 1.138 685 HA ALA 88 HA ALA 88 -4.464 12.073 3.893 686 1HB ALA 88 1HB ALA 88 -3.258 13.525 2.262 687 2HB ALA 88 2HB ALA 88 -4.674 13.449 1.185 688 3HB ALA 88 3HB ALA 88 -4.803 14.251 2.757 689 H GLU 89 H GLU 89 -6.232 10.621 1.337 690 HA GLU 89 HA GLU 89 -8.588 12.191 1.374 691 1HB GLU 89 1HB GLU 89 -7.860 9.444 0.307 692 2HB GLU 89 2HB GLU 89 -9.428 10.174 0.027 693 1HG GLU 89 1HG GLU 89 -6.926 11.789 -0.635 694 2HG GLU 89 2HG GLU 89 -7.379 10.467 -1.694 695 H ALA 90 H ALA 90 -9.513 12.378 3.408 696 HA ALA 90 HA ALA 90 -10.220 9.983 4.955 697 1HB ALA 90 1HB ALA 90 -11.066 11.485 6.585 698 2HB ALA 90 2HB ALA 90 -9.585 12.256 5.984 699 3HB ALA 90 3HB ALA 90 -11.171 12.826 5.428 700 H LYS 91 H LYS 91 -11.499 11.294 2.159 701 HA LYS 91 HA LYS 91 -14.170 11.807 2.643 702 1HB LYS 91 1HB LYS 91 -13.333 12.279 0.522 703 2HB LYS 91 2HB LYS 91 -12.790 10.622 0.222 704 1HG LYS 91 1HG LYS 91 -15.071 9.835 -0.008 705 2HG LYS 91 2HG LYS 91 -15.730 11.379 0.531 706 1HD LYS 91 1HD LYS 91 -14.058 11.038 -1.992 707 2HD LYS 91 2HD LYS 91 -15.822 10.920 -1.950 708 1HE LYS 91 1HE LYS 91 -15.868 13.224 -0.906 709 2HE LYS 91 2HE LYS 91 -14.125 13.334 -1.200 710 1HZ LYS 91 1HZ LYS 91 -14.685 12.913 -3.581 711 2HZ LYS 91 2HZ LYS 91 -16.279 13.141 -3.184 712 3HZ LYS 91 3HZ LYS 91 -15.180 14.359 -2.991 713 H LYS 92 H LYS 92 -15.623 10.711 3.666 714 HA LYS 92 HA LYS 92 -15.538 8.124 4.487 715 1HB LYS 92 1HB LYS 92 -17.068 9.825 5.339 716 2HB LYS 92 2HB LYS 92 -18.018 9.793 3.849 717 1HG LYS 92 1HG LYS 92 -17.671 7.128 5.104 718 2HG LYS 92 2HG LYS 92 -18.426 8.289 6.177 719 1HD LYS 92 1HD LYS 92 -19.414 7.895 3.331 720 2HD LYS 92 2HD LYS 92 -19.896 6.822 4.625 721 1HE LYS 92 1HE LYS 92 -20.393 9.827 4.627 722 2HE LYS 92 2HE LYS 92 -21.579 8.575 4.222 723 1HZ LYS 92 1HZ LYS 92 -21.960 9.034 6.447 724 2HZ LYS 92 2HZ LYS 92 -21.078 7.658 6.500 725 3HZ LYS 92 3HZ LYS 92 -20.361 9.124 6.822 726 H GLU 93 H GLU 93 -17.386 9.156 1.493 727 HA GLU 93 HA GLU 93 -18.073 6.545 0.837 728 1HB GLU 93 1HB GLU 93 -18.285 9.125 -0.442 729 2HB GLU 93 2HB GLU 93 -17.530 8.053 -1.613 730 1HG GLU 93 1HG GLU 93 -19.368 6.360 -1.080 731 2HG GLU 93 2HG GLU 93 -20.180 7.654 -0.202 732 H ASN 94 H ASN 94 -14.929 8.066 0.373 733 HA ASN 94 HA ASN 94 -13.963 6.119 -1.577 734 1HB ASN 94 1HB ASN 94 -12.500 8.215 0.081 735 2HB ASN 94 2HB ASN 94 -11.684 7.036 -0.934 736 1HD2 ASN 94 1HD2 ASN 94 -11.086 9.601 -1.760 737 2HD2 ASN 94 2HD2 ASN 94 -12.030 9.950 -3.160 738 H ILE 95 H ILE 95 -13.876 6.539 1.970 739 HA ILE 95 HA ILE 95 -12.266 4.193 2.464 740 HB ILE 95 HB ILE 95 -14.219 5.822 4.123 741 1HG1 ILE 95 1HG1 ILE 95 -11.355 5.251 4.900 742 2HG1 ILE 95 2HG1 ILE 95 -11.588 6.245 3.468 743 1HG2 ILE 95 1HG2 ILE 95 -12.817 3.238 4.939 744 2HG2 ILE 95 2HG2 ILE 95 -13.533 4.393 6.092 745 3HG2 ILE 95 3HG2 ILE 95 -14.559 3.539 4.937 746 1HD1 ILE 95 1HD1 ILE 95 -12.768 6.893 6.191 747 2HD1 ILE 95 2HD1 ILE 95 -11.376 7.683 5.407 748 3HD1 ILE 95 3HD1 ILE 95 -12.991 7.829 4.695 749 H ILE 96 H ILE 96 -15.842 4.686 2.138 750 HA ILE 96 HA ILE 96 -16.515 1.919 2.475 751 HB ILE 96 HB ILE 96 -17.974 4.169 1.028 752 1HG1 ILE 96 1HG1 ILE 96 -19.768 3.432 2.776 753 2HG1 ILE 96 2HG1 ILE 96 -18.479 2.521 3.560 754 1HG2 ILE 96 1HG2 ILE 96 -19.893 2.645 0.691 755 2HG2 ILE 96 2HG2 ILE 96 -18.514 2.119 -0.252 756 3HG2 ILE 96 3HG2 ILE 96 -18.912 1.273 1.259 757 1HD1 ILE 96 1HD1 ILE 96 -18.904 4.761 4.545 758 2HD1 ILE 96 2HD1 ILE 96 -17.251 4.630 3.934 759 3HD1 ILE 96 3HD1 ILE 96 -18.492 5.513 2.994 760 H ALA 97 H ALA 97 -15.686 3.799 -0.515 761 HA ALA 97 HA ALA 97 -16.024 1.677 -2.310 762 1HB ALA 97 1HB ALA 97 -15.729 3.856 -3.233 763 2HB ALA 97 2HB ALA 97 -14.202 4.096 -2.382 764 3HB ALA 97 3HB ALA 97 -14.300 2.935 -3.715 765 H ALA 98 H ALA 98 -13.061 2.566 -0.440 766 HA ALA 98 HA ALA 98 -11.453 0.403 -1.418 767 1HB ALA 98 1HB ALA 98 -11.447 2.020 1.142 768 2HB ALA 98 2HB ALA 98 -10.344 0.651 0.927 769 3HB ALA 98 3HB ALA 98 -10.255 2.003 -0.193 770 H ALA 99 H ALA 99 -13.722 0.578 1.375 771 HA ALA 99 HA ALA 99 -13.086 -2.008 2.389 772 1HB ALA 99 1HB ALA 99 -15.085 -1.704 3.746 773 2HB ALA 99 2HB ALA 99 -14.237 -0.159 3.649 774 3HB ALA 99 3HB ALA 99 -15.689 -0.423 2.673 775 H GLN 100 H GLN 100 -15.581 -0.895 0.126 776 HA GLN 100 HA GLN 100 -16.840 -3.335 -0.540 777 1HB GLN 100 1HB GLN 100 -16.411 -0.721 -2.054 778 2HB GLN 100 2HB GLN 100 -17.426 -2.009 -2.663 779 1HG GLN 100 1HG GLN 100 -17.910 -0.756 0.080 780 2HG GLN 100 2HG GLN 100 -18.545 -0.061 -1.412 781 1HE2 GLN 100 1HE2 GLN 100 -18.766 -2.830 0.825 782 2HE2 GLN 100 2HE2 GLN 100 -20.272 -3.420 0.141 783 H ALA 101 H ALA 101 -14.118 -1.578 -2.256 784 HA ALA 101 HA ALA 101 -13.633 -3.522 -4.208 785 1HB ALA 101 1HB ALA 101 -11.836 -1.516 -2.783 786 2HB ALA 101 2HB ALA 101 -11.459 -2.359 -4.291 787 3HB ALA 101 3HB ALA 101 -12.797 -1.200 -4.234 788 H GLY 102 H GLY 102 -12.900 -3.491 -0.795 789 1HA GLY 102 1HA GLY 102 -12.156 -5.216 0.527 790 2HA GLY 102 2HA GLY 102 -11.760 -6.188 -0.909 791 H ALA 103 H ALA 103 -10.769 -2.842 0.109 792 HA ALA 103 HA ALA 103 -7.986 -3.428 -0.305 793 1HB ALA 103 1HB ALA 103 -7.492 -1.336 0.381 794 2HB ALA 103 2HB ALA 103 -9.177 -1.083 -0.108 795 3HB ALA 103 3HB ALA 103 -8.793 -1.283 1.604 796 H SER 104 H SER 104 -6.445 -4.032 1.226 797 HA SER 104 HA SER 104 -7.354 -5.720 3.341 798 1HB SER 104 1HB SER 104 -5.053 -6.175 3.683 799 2HB SER 104 2HB SER 104 -5.308 -6.050 1.952 800 HG SER 104 HG SER 104 -4.455 -3.957 1.993 801 H GLY 105 H GLY 105 -6.555 -2.263 3.191 802 1HA GLY 105 1HA GLY 105 -7.736 -1.723 5.657 803 2HA GLY 105 2HA GLY 105 -5.985 -1.834 5.938 804 H TYR 106 H TYR 106 -7.196 0.518 6.414 805 HA TYR 106 HA TYR 106 -6.369 2.312 4.216 806 1HB TYR 106 1HB TYR 106 -8.975 1.759 4.751 807 2HB TYR 106 2HB TYR 106 -8.728 3.008 5.948 808 HD1 TYR 106 1HD TYR 106 -9.677 2.305 2.658 809 HD2 TYR 106 2HD TYR 106 -7.629 5.309 4.970 810 HE1 TYR 106 1HE TYR 106 -10.195 4.013 0.915 811 HE2 TYR 106 2HE TYR 106 -8.126 6.990 3.208 812 HH TYR 106 HH TYR 106 -9.773 6.154 0.145 813 H VAL 107 H VAL 107 -4.914 3.776 4.905 814 HA VAL 107 HA VAL 107 -5.018 4.751 7.726 815 HB VAL 107 HB VAL 107 -2.647 3.903 6.078 816 1HG1 VAL 107 1HG1 VAL 107 -1.191 5.103 7.677 817 2HG1 VAL 107 2HG1 VAL 107 -2.126 6.218 6.685 818 3HG1 VAL 107 3HG1 VAL 107 -2.631 5.909 8.356 819 1HG2 VAL 107 1HG2 VAL 107 -3.384 2.252 7.671 820 2HG2 VAL 107 2HG2 VAL 107 -2.029 3.098 8.471 821 3HG2 VAL 107 3HG2 VAL 107 -3.661 3.473 8.925 822 H VAL 108 H VAL 108 -6.070 6.579 7.557 823 HA VAL 108 HA VAL 108 -5.575 8.382 5.295 824 HB VAL 108 HB VAL 108 -7.081 9.068 7.839 825 1HG1 VAL 108 1HG1 VAL 108 -8.267 10.577 6.332 826 2HG1 VAL 108 2HG1 VAL 108 -6.551 10.910 6.222 827 3HG1 VAL 108 3HG1 VAL 108 -7.348 9.987 4.933 828 1HG2 VAL 108 1HG2 VAL 108 -9.185 8.424 6.700 829 2HG2 VAL 108 2HG2 VAL 108 -8.259 7.699 5.380 830 3HG2 VAL 108 3HG2 VAL 108 -8.185 7.011 7.021 831 H LYS 109 H LYS 109 -4.404 10.320 5.636 832 HA LYS 109 HA LYS 109 -2.357 10.686 7.585 833 1HB LYS 109 1HB LYS 109 -2.539 11.867 5.398 834 2HB LYS 109 2HB LYS 109 -4.045 12.630 5.942 835 1HG LYS 109 1HG LYS 109 -2.823 13.908 7.637 836 2HG LYS 109 2HG LYS 109 -1.295 13.161 7.110 837 1HD LYS 109 1HD LYS 109 -1.476 14.177 4.921 838 2HD LYS 109 2HD LYS 109 -3.115 14.787 5.266 839 1HE LYS 109 1HE LYS 109 -2.308 16.260 6.998 840 2HE LYS 109 2HE LYS 109 -0.713 15.511 6.982 841 1HZ LYS 109 1HZ LYS 109 -0.704 17.590 5.906 842 2HZ LYS 109 2HZ LYS 109 -0.330 16.404 4.816 843 3HZ LYS 109 3HZ LYS 109 -1.806 17.154 4.776 844 HA PRO 110 HA PRO 110 -1.422 12.312 9.132 845 1HB PRO 110 1HB PRO 110 -1.038 12.322 11.830 846 2HB PRO 110 2HB PRO 110 -1.597 13.764 10.940 847 1HG PRO 110 1HG PRO 110 -3.276 11.766 12.474 848 2HG PRO 110 2HG PRO 110 -3.344 13.558 12.512 849 1HD PRO 110 1HD PRO 110 -5.048 12.040 11.004 850 2HD PRO 110 2HD PRO 110 -4.486 13.651 10.469 851 H PHE 111 H PHE 111 0.224 10.704 9.508 852 HA PHE 111 HA PHE 111 -0.620 8.178 10.701 853 1HB PHE 111 1HB PHE 111 -0.257 6.884 8.749 854 2HB PHE 111 2HB PHE 111 -1.409 8.121 8.299 855 HD1 PHE 111 1HD PHE 111 1.658 6.466 7.517 856 HD2 PHE 111 2HD PHE 111 -0.329 10.273 7.065 857 HE1 PHE 111 1HE PHE 111 3.243 7.113 5.731 858 HE2 PHE 111 2HE PHE 111 1.290 10.906 5.318 859 HZ PHE 111 HZ PHE 111 3.083 9.308 4.644 860 H THR 112 H THR 112 1.101 7.126 11.582 861 HA THR 112 HA THR 112 3.856 7.785 10.789 862 HB THR 112 HB THR 112 4.331 7.814 13.366 863 HG1 THR 112 1HG THR 112 2.732 8.625 14.599 864 1HG2 THR 112 1HG2 THR 112 3.096 10.193 11.973 865 2HG2 THR 112 2HG2 THR 112 4.158 10.234 13.403 866 3HG2 THR 112 3HG2 THR 112 4.776 9.645 11.852 867 H ALA 113 H ALA 113 5.251 6.179 12.580 868 HA ALA 113 HA ALA 113 4.664 3.577 11.568 869 1HB ALA 113 1HB ALA 113 6.415 2.790 13.058 870 2HB ALA 113 2HB ALA 113 6.937 4.220 12.154 871 3HB ALA 113 3HB ALA 113 6.463 4.364 13.864 872 H ALA 114 H ALA 114 3.659 5.375 14.426 873 HA ALA 114 HA ALA 114 2.519 3.408 16.020 874 1HB ALA 114 1HB ALA 114 0.930 5.140 16.731 875 2HB ALA 114 2HB ALA 114 2.535 5.858 16.510 876 3HB ALA 114 3HB ALA 114 1.277 6.106 15.283 877 H THR 115 H THR 115 1.220 4.626 12.897 878 HA THR 115 HA THR 115 -1.101 2.789 13.241 879 HB THR 115 HB THR 115 -1.477 5.238 12.690 880 HG1 THR 115 1HG THR 115 -3.069 3.633 12.310 881 1HG2 THR 115 1HG2 THR 115 -1.457 5.879 10.374 882 2HG2 THR 115 2HG2 THR 115 0.180 5.627 10.980 883 3HG2 THR 115 3HG2 THR 115 -0.563 4.409 9.923 884 H LEU 116 H LEU 116 1.890 3.235 11.429 885 HA LEU 116 HA LEU 116 1.386 1.423 9.274 886 1HB LEU 116 1HB LEU 116 3.382 3.087 9.736 887 2HB LEU 116 2HB LEU 116 4.066 1.730 10.621 888 HG LEU 116 HG LEU 116 5.109 1.735 8.563 889 1HD1 LEU 116 1HD1 LEU 116 4.584 -0.355 7.544 890 2HD1 LEU 116 2HD1 LEU 116 4.284 -0.499 9.273 891 3HD1 LEU 116 3HD1 LEU 116 2.923 -0.328 8.148 892 1HD2 LEU 116 1HD2 LEU 116 4.132 1.825 6.385 893 2HD2 LEU 116 2HD2 LEU 116 2.494 1.807 7.047 894 3HD2 LEU 116 3HD2 LEU 116 3.571 3.218 7.308 895 H GLU 117 H GLU 117 2.718 0.935 12.608 896 HA GLU 117 HA GLU 117 3.030 -1.864 12.319 897 1HB GLU 117 1HB GLU 117 3.519 -1.894 14.624 898 2HB GLU 117 2HB GLU 117 4.166 -0.406 13.973 899 1HG GLU 117 1HG GLU 117 3.245 0.597 15.733 900 2HG GLU 117 2HG GLU 117 1.720 0.482 14.866 901 H GLU 118 H GLU 118 0.238 0.101 13.456 902 HA GLU 118 HA GLU 118 -1.282 -2.166 14.234 903 1HB GLU 118 1HB GLU 118 -1.970 -0.056 15.072 904 2HB GLU 118 2HB GLU 118 -2.208 0.624 13.448 905 1HG GLU 118 1HG GLU 118 -4.134 -0.674 13.033 906 2HG GLU 118 2HG GLU 118 -3.681 -1.907 14.209 907 H LYS 119 H LYS 119 -1.389 -0.291 11.118 908 HA LYS 119 HA LYS 119 -3.370 -2.041 10.013 909 1HB LYS 119 1HB LYS 119 -2.714 -1.152 7.775 910 2HB LYS 119 2HB LYS 119 -3.175 0.038 8.982 911 1HG LYS 119 1HG LYS 119 -1.276 1.153 8.746 912 2HG LYS 119 2HG LYS 119 -0.372 -0.234 9.221 913 1HD LYS 119 1HD LYS 119 0.646 -0.034 7.253 914 2HD LYS 119 2HD LYS 119 -0.740 -0.944 6.687 915 1HE LYS 119 1HE LYS 119 -0.496 0.947 5.193 916 2HE LYS 119 2HE LYS 119 -1.893 1.301 6.212 917 1HZ LYS 119 1HZ LYS 119 -0.430 2.668 7.584 918 2HZ LYS 119 2HZ LYS 119 0.842 2.368 6.571 919 3HZ LYS 119 3HZ LYS 119 -0.464 3.196 6.025 920 H LEU 120 H LEU 120 0.201 -2.352 10.035 921 HA LEU 120 HA LEU 120 0.348 -4.750 8.469 922 1HB LEU 120 1HB LEU 120 1.987 -3.618 10.749 923 2HB LEU 120 2HB LEU 120 2.333 -5.208 10.095 924 HG LEU 120 HG LEU 120 2.360 -2.657 8.433 925 1HD1 LEU 120 1HD1 LEU 120 4.078 -2.633 10.190 926 2HD1 LEU 120 2HD1 LEU 120 4.588 -4.266 9.747 927 3HD1 LEU 120 3HD1 LEU 120 4.849 -2.920 8.614 928 1HD2 LEU 120 1HD2 LEU 120 3.647 -4.060 6.828 929 2HD2 LEU 120 2HD2 LEU 120 3.338 -5.486 7.838 930 3HD2 LEU 120 3HD2 LEU 120 1.993 -4.635 7.044 931 H ASN 121 H ASN 121 0.021 -4.308 12.035 932 HA ASN 121 HA ASN 121 -0.257 -7.026 12.701 933 1HB ASN 121 1HB ASN 121 0.175 -5.424 14.409 934 2HB ASN 121 2HB ASN 121 -1.255 -4.477 13.996 935 1HD2 ASN 121 1HD2 ASN 121 -0.351 -7.795 15.109 936 2HD2 ASN 121 2HD2 ASN 121 -1.874 -8.069 15.935 937 H LYS 122 H LYS 122 -2.751 -4.716 11.664 938 HA LYS 122 HA LYS 122 -4.933 -6.512 12.046 939 1HB LYS 122 1HB LYS 122 -4.663 -4.068 10.242 940 2HB LYS 122 2HB LYS 122 -6.153 -5.003 10.411 941 1HG LYS 122 1HG LYS 122 -5.946 -4.674 12.943 942 2HG LYS 122 2HG LYS 122 -4.705 -3.480 12.619 943 1HD LYS 122 1HD LYS 122 -7.581 -3.381 11.636 944 2HD LYS 122 2HD LYS 122 -6.897 -2.488 13.001 945 1HE LYS 122 1HE LYS 122 -5.408 -1.239 11.513 946 2HE LYS 122 2HE LYS 122 -5.978 -2.164 10.115 947 1HZ LYS 122 1HZ LYS 122 -7.034 -0.012 10.312 948 2HZ LYS 122 2HZ LYS 122 -8.149 -1.209 10.407 949 3HZ LYS 122 3HZ LYS 122 -7.676 -0.409 11.781 950 H ILE 123 H ILE 123 -2.917 -5.942 9.061 951 HA ILE 123 HA ILE 123 -4.510 -7.990 7.694 952 HB ILE 123 HB ILE 123 -2.921 -7.654 5.801 953 1HG1 ILE 123 1HG1 ILE 123 -1.472 -5.996 7.788 954 2HG1 ILE 123 2HG1 ILE 123 -0.871 -6.963 6.473 955 1HG2 ILE 123 1HG2 ILE 123 -4.343 -5.238 6.995 956 2HG2 ILE 123 2HG2 ILE 123 -3.916 -5.462 5.296 957 3HG2 ILE 123 3HG2 ILE 123 -5.081 -6.549 6.050 958 1HD1 ILE 123 1HD1 ILE 123 -1.493 -5.148 4.898 959 2HD1 ILE 123 2HD1 ILE 123 -2.183 -4.206 6.245 960 3HD1 ILE 123 3HD1 ILE 123 -0.463 -4.544 6.232 961 H PHE 124 H PHE 124 -1.601 -8.109 9.655 962 HA PHE 124 HA PHE 124 -0.942 -10.830 9.022 963 1HB PHE 124 1HB PHE 124 -0.953 -9.485 11.729 964 2HB PHE 124 2HB PHE 124 -0.191 -11.003 11.311 965 HD1 PHE 124 1HD PHE 124 1.134 -8.641 12.660 966 HD2 PHE 124 2HD PHE 124 0.995 -9.817 8.536 967 HE1 PHE 124 1HE PHE 124 3.210 -7.362 12.224 968 HE2 PHE 124 2HE PHE 124 3.083 -8.603 8.103 969 HZ PHE 124 HZ PHE 124 4.194 -7.340 9.939 970 H GLU 125 H GLU 125 -3.198 -9.512 11.552 971 HA GLU 125 HA GLU 125 -4.123 -12.140 12.067 972 1HB GLU 125 1HB GLU 125 -5.151 -9.367 12.838 973 2HB GLU 125 2HB GLU 125 -5.846 -10.858 13.498 974 1HG GLU 125 1HG GLU 125 -3.746 -11.526 14.481 975 2HG GLU 125 2HG GLU 125 -2.870 -10.243 13.656 976 H LYS 126 H LYS 126 -5.361 -9.701 9.913 977 HA LYS 126 HA LYS 126 -7.970 -11.010 9.575 978 1HB LYS 126 1HB LYS 126 -7.523 -8.525 9.316 979 2HB LYS 126 2HB LYS 126 -6.842 -8.859 7.747 980 1HG LYS 126 1HG LYS 126 -9.697 -9.312 8.736 981 2HG LYS 126 2HG LYS 126 -9.128 -8.118 7.581 982 1HD LYS 126 1HD LYS 126 -8.449 -10.423 6.258 983 2HD LYS 126 2HD LYS 126 -9.836 -10.996 7.155 984 1HE LYS 126 1HE LYS 126 -9.879 -8.401 5.545 985 2HE LYS 126 2HE LYS 126 -10.123 -9.953 4.755 986 1HZ LYS 126 1HZ LYS 126 -11.824 -9.366 7.056 987 2HZ LYS 126 2HZ LYS 126 -12.146 -8.599 5.637 988 3HZ LYS 126 3HZ LYS 126 -12.145 -10.215 5.681 989 H LEU 127 H LEU 127 -5.287 -10.310 7.217 990 HA LEU 127 HA LEU 127 -6.414 -12.178 5.358 991 1HB LEU 127 1HB LEU 127 -3.576 -11.196 5.223 992 2HB LEU 127 2HB LEU 127 -4.635 -11.669 3.913 993 HG LEU 127 HG LEU 127 -4.575 -9.058 5.464 994 1HD1 LEU 127 1HD1 LEU 127 -3.028 -9.407 3.555 995 2HD1 LEU 127 2HD1 LEU 127 -4.408 -9.720 2.488 996 3HD1 LEU 127 3HD1 LEU 127 -4.192 -8.125 3.235 997 1HD2 LEU 127 1HD2 LEU 127 -6.495 -8.319 4.017 998 2HD2 LEU 127 2HD2 LEU 127 -6.835 -10.055 3.724 999 3HD2 LEU 127 3HD2 LEU 127 -6.875 -9.359 5.360 1000 H GLY 128 H GLY 128 -4.044 -12.444 7.955 1001 1HA GLY 128 1HA GLY 128 -3.068 -14.381 8.791 1002 2HA GLY 128 2HA GLY 128 -3.417 -15.242 7.288 1003 H MET 129 H MET 129 -2.033 -11.858 7.450 1004 HA MET 129 HA MET 129 0.319 -12.848 5.922 1005 1HB MET 129 2HB MET 129 -0.475 -10.098 6.912 1006 2HB MET 129 3HB MET 129 1.085 -10.439 6.164 1007 1HG MET 129 2HG MET 129 -1.556 -11.056 4.837 1008 2HG MET 129 3HG MET 129 -0.718 -9.521 4.643 1009 1HE MET 129 1HE MET 129 -1.402 -10.370 2.115 1010 2HE MET 129 2HE MET 129 -0.491 -11.622 1.242 1011 3HE MET 129 3HE MET 129 -1.674 -12.085 2.486 Start of MODEL 8 1 1H MET 1 H MET 1 19.198 -16.433 2.198 2 2H MET 1 2HN MET 1 20.776 -16.905 2.133 3 3H MET 1 3HN MET 1 19.631 -17.935 2.698 4 HA MET 1 HA MET 1 21.009 -16.941 4.421 5 1HB MET 1 2HB MET 1 19.910 -14.456 3.180 6 2HB MET 1 3HB MET 1 20.008 -14.482 4.933 7 1HG MET 1 2HG MET 1 22.071 -13.604 4.036 8 2HG MET 1 3HG MET 1 22.375 -15.156 4.816 9 1HE MET 1 1HE MET 1 24.695 -15.704 3.712 10 2HE MET 1 2HE MET 1 25.066 -15.352 2.012 11 3HE MET 1 3HE MET 1 24.648 -14.026 3.114 12 H ALA 2 H ALA 2 17.786 -15.291 4.692 13 HA ALA 2 HA ALA 2 16.567 -17.730 5.741 14 1HB ALA 2 1HB ALA 2 16.301 -16.975 7.989 15 2HB ALA 2 2HB ALA 2 18.014 -16.802 7.642 16 3HB ALA 2 3HB ALA 2 16.972 -15.369 7.625 17 H ASP 3 H ASP 3 15.953 -16.079 3.496 18 HA ASP 3 HA ASP 3 13.701 -14.330 4.379 19 1HB ASP 3 1HB ASP 3 15.667 -13.657 2.169 20 2HB ASP 3 2HB ASP 3 14.513 -12.606 2.958 21 H LYS 4 H LYS 4 12.224 -13.793 2.564 22 HA LYS 4 HA LYS 4 12.185 -15.753 0.300 23 1HB LYS 4 1HB LYS 4 10.091 -13.710 1.168 24 2HB LYS 4 2HB LYS 4 10.020 -14.713 -0.267 25 1HG LYS 4 1HG LYS 4 8.611 -15.782 1.181 26 2HG LYS 4 2HG LYS 4 10.066 -16.769 1.239 27 1HD LYS 4 1HD LYS 4 10.607 -16.046 3.430 28 2HD LYS 4 2HD LYS 4 9.616 -14.571 3.292 29 1HE LYS 4 1HE LYS 4 7.561 -15.935 3.260 30 2HE LYS 4 2HE LYS 4 8.521 -17.411 3.423 31 1HZ LYS 4 1HZ LYS 4 8.554 -15.205 5.398 32 2HZ LYS 4 2HZ LYS 4 7.603 -16.544 5.527 33 3HZ LYS 4 3HZ LYS 4 9.231 -16.705 5.561 34 H GLU 5 H GLU 5 13.694 -12.918 1.154 35 HA GLU 5 HA GLU 5 14.218 -10.964 0.330 36 1HB GLU 5 1HB GLU 5 15.124 -12.720 -1.462 37 2HB GLU 5 2HB GLU 5 13.944 -11.927 -2.499 38 1HG GLU 5 1HG GLU 5 15.710 -10.585 -2.886 39 2HG GLU 5 2HG GLU 5 15.091 -9.697 -1.501 40 H LEU 6 H LEU 6 11.511 -11.435 0.956 41 HA LEU 6 HA LEU 6 9.541 -10.630 -0.863 42 1HB LEU 6 1HB LEU 6 9.147 -11.654 1.318 43 2HB LEU 6 2HB LEU 6 9.779 -10.248 2.165 44 HG LEU 6 HG LEU 6 7.631 -9.608 0.229 45 1HD1 LEU 6 1HD1 LEU 6 6.882 -11.806 0.970 46 2HD1 LEU 6 2HD1 LEU 6 6.967 -11.293 2.665 47 3HD1 LEU 6 3HD1 LEU 6 5.813 -10.543 1.536 48 1HD2 LEU 6 1HD2 LEU 6 6.758 -8.275 2.127 49 2HD2 LEU 6 2HD2 LEU 6 7.956 -9.013 3.208 50 3HD2 LEU 6 3HD2 LEU 6 8.480 -7.957 1.890 51 H LYS 7 H LYS 7 9.139 -8.708 -1.848 52 HA LYS 7 HA LYS 7 10.478 -6.292 -0.774 53 1HB LYS 7 1HB LYS 7 10.875 -5.567 -2.726 54 2HB LYS 7 2HB LYS 7 10.580 -7.182 -3.299 55 1HG LYS 7 1HG LYS 7 8.402 -6.519 -4.155 56 2HG LYS 7 2HG LYS 7 8.484 -4.956 -3.314 57 1HD LYS 7 1HD LYS 7 9.057 -4.535 -5.594 58 2HD LYS 7 2HD LYS 7 10.506 -4.377 -4.598 59 1HE LYS 7 1HE LYS 7 11.222 -6.638 -5.224 60 2HE LYS 7 2HE LYS 7 9.851 -6.748 -6.358 61 1HZ LYS 7 1HZ LYS 7 12.126 -6.012 -7.158 62 2HZ LYS 7 2HZ LYS 7 10.850 -5.127 -7.694 63 3HZ LYS 7 3HZ LYS 7 11.832 -4.569 -6.462 64 H PHE 8 H PHE 8 9.341 -4.171 -0.887 65 HA PHE 8 HA PHE 8 6.408 -4.396 -0.278 66 1HB PHE 8 1HB PHE 8 8.663 -3.088 1.222 67 2HB PHE 8 2HB PHE 8 7.206 -2.135 1.013 68 HD1 PHE 8 1HD PHE 8 5.611 -2.171 2.616 69 HD2 PHE 8 2HD PHE 8 8.178 -5.600 2.155 70 HE1 PHE 8 1HE PHE 8 4.559 -3.211 4.603 71 HE2 PHE 8 2HE PHE 8 7.110 -6.641 4.135 72 HZ PHE 8 HZ PHE 8 5.338 -5.448 5.384 73 H LEU 9 H LEU 9 5.368 -3.410 -2.134 74 HA LEU 9 HA LEU 9 6.886 -1.275 -3.493 75 1HB LEU 9 1HB LEU 9 5.635 -3.010 -4.777 76 2HB LEU 9 2HB LEU 9 4.126 -2.403 -4.081 77 HG LEU 9 HG LEU 9 4.613 -0.164 -5.105 78 1HD1 LEU 9 1HD1 LEU 9 6.336 -0.144 -6.992 79 2HD1 LEU 9 2HD1 LEU 9 6.984 -0.114 -5.358 80 3HD1 LEU 9 3HD1 LEU 9 7.011 -1.615 -6.289 81 1HD2 LEU 9 1HD2 LEU 9 3.141 -1.738 -6.223 82 2HD2 LEU 9 2HD2 LEU 9 4.074 -0.817 -7.400 83 3HD2 LEU 9 3HD2 LEU 9 4.524 -2.499 -7.044 84 H VAL 10 H VAL 10 6.407 0.884 -3.313 85 HA VAL 10 HA VAL 10 4.154 1.740 -1.590 86 HB VAL 10 HB VAL 10 7.000 2.817 -1.479 87 1HG1 VAL 10 1HG1 VAL 10 4.621 3.085 0.410 88 2HG1 VAL 10 2HG1 VAL 10 6.234 3.796 0.655 89 3HG1 VAL 10 3HG1 VAL 10 5.219 4.327 -0.680 90 1HG2 VAL 10 1HG2 VAL 10 7.195 0.555 -0.647 91 2HG2 VAL 10 2HG2 VAL 10 7.147 1.624 0.751 92 3HG2 VAL 10 3HG2 VAL 10 5.696 0.711 0.300 93 H VAL 11 H VAL 11 2.840 2.949 -2.860 94 HA VAL 11 HA VAL 11 3.990 4.781 -4.905 95 HB VAL 11 HB VAL 11 1.507 3.161 -5.469 96 1HG1 VAL 11 1HG1 VAL 11 3.608 4.517 -7.216 97 2HG1 VAL 11 2HG1 VAL 11 2.196 3.604 -7.794 98 3HG1 VAL 11 3HG1 VAL 11 1.967 5.104 -6.906 99 1HG2 VAL 11 1HG2 VAL 11 2.939 1.591 -6.791 100 2HG2 VAL 11 2HG2 VAL 11 4.359 2.249 -5.968 101 3HG2 VAL 11 3HG2 VAL 11 3.066 1.415 -5.055 102 H ASP 12 H ASP 12 3.126 5.533 -2.233 103 HA ASP 12 HA ASP 12 0.731 6.969 -2.261 104 1HB ASP 12 1HB ASP 12 3.400 7.989 -1.300 105 2HB ASP 12 2HB ASP 12 1.776 8.443 -0.751 106 H ASP 13 H ASP 13 0.373 9.286 -2.927 107 HA ASP 13 HA ASP 13 1.493 9.666 -5.601 108 1HB ASP 13 1HB ASP 13 -0.900 9.918 -5.015 109 2HB ASP 13 2HB ASP 13 -0.518 11.366 -4.073 110 H PHE 14 H PHE 14 1.429 11.439 -2.584 111 HA PHE 14 HA PHE 14 3.147 13.655 -3.338 112 1HB PHE 14 1HB PHE 14 1.388 13.772 -1.627 113 2HB PHE 14 2HB PHE 14 2.101 12.468 -0.735 114 HD1 PHE 14 1HD PHE 14 3.033 13.190 1.335 115 HD2 PHE 14 2HD PHE 14 3.227 15.810 -2.107 116 HE1 PHE 14 1HE PHE 14 3.949 14.969 2.745 117 HE2 PHE 14 2HE PHE 14 4.148 17.587 -0.656 118 HZ PHE 14 HZ PHE 14 4.451 17.200 1.766 119 H SER 15 H SER 15 5.370 13.216 -3.800 120 HA SER 15 HA SER 15 6.458 10.731 -3.274 121 1HB SER 15 1HB SER 15 7.370 12.300 -4.950 122 2HB SER 15 2HB SER 15 8.085 13.273 -3.645 123 HG SER 15 HG SER 15 9.153 11.187 -4.826 124 H THR 16 H THR 16 6.814 13.658 -1.150 125 HA THR 16 HA THR 16 8.544 12.563 0.730 126 HB THR 16 HB THR 16 6.164 14.399 1.136 127 HG1 THR 16 1HG THR 16 7.605 16.000 0.819 128 1HG2 THR 16 1HG2 THR 16 8.558 13.737 2.890 129 2HG2 THR 16 2HG2 THR 16 7.648 15.238 3.080 130 3HG2 THR 16 3HG2 THR 16 6.826 13.699 3.312 131 H MET 17 H MET 17 5.090 11.782 0.190 132 HA MET 17 HA MET 17 4.637 10.489 2.702 133 1HB MET 17 1HB MET 17 3.046 11.217 0.662 134 2HB MET 17 2HB MET 17 3.378 9.600 0.147 135 1HG MET 17 1HG MET 17 1.424 9.353 1.362 136 2HG MET 17 2HG MET 17 2.647 8.954 2.562 137 1HE MET 17 1HE MET 17 -0.297 12.480 2.361 138 2HE MET 17 2HE MET 17 0.732 12.077 0.979 139 3HE MET 17 3HE MET 17 -0.397 10.872 1.616 140 H ARG 18 H ARG 18 6.060 9.416 -0.458 141 HA ARG 18 HA ARG 18 6.277 6.619 0.387 142 1HB ARG 18 1HB ARG 18 7.325 8.256 -1.941 143 2HB ARG 18 2HB ARG 18 8.124 6.734 -1.569 144 1HG ARG 18 1HG ARG 18 6.400 5.452 -2.255 145 2HG ARG 18 2HG ARG 18 5.183 6.524 -1.575 146 1HD ARG 18 1HD ARG 18 4.746 6.585 -3.799 147 2HD ARG 18 2HD ARG 18 5.577 8.100 -3.528 148 HE ARG 18 HE ARG 18 6.469 5.653 -4.946 149 1HH1 ARG 18 2HH2 ARG 18 7.410 8.920 -4.051 150 2HH1 ARG 18 1HH2 ARG 18 8.215 9.284 -5.547 151 1HH2 ARG 18 2HH1 ARG 18 7.119 6.298 -7.096 152 2HH2 ARG 18 1HH1 ARG 18 7.983 7.763 -7.342 153 H ARG 19 H ARG 19 8.271 9.517 0.682 154 HA ARG 19 HA ARG 19 10.671 8.178 1.579 155 1HB ARG 19 1HB ARG 19 9.674 11.017 1.997 156 2HB ARG 19 2HB ARG 19 11.020 10.364 2.905 157 1HG ARG 19 1HG ARG 19 11.886 11.597 1.059 158 2HG ARG 19 2HG ARG 19 12.261 9.891 0.876 159 1HD ARG 19 1HD ARG 19 10.160 9.786 -0.628 160 2HD ARG 19 2HD ARG 19 10.256 11.554 -0.675 161 HE ARG 19 HE ARG 19 12.738 11.014 -1.349 162 1HH1 ARG 19 2HH2 ARG 19 9.833 9.740 -2.823 163 2HH1 ARG 19 1HH2 ARG 19 10.564 8.342 -3.579 164 1HH2 ARG 19 2HH1 ARG 19 13.889 9.425 -2.708 165 2HH2 ARG 19 1HH1 ARG 19 12.935 8.497 -3.836 166 H ILE 20 H ILE 20 8.030 9.789 3.366 167 HA ILE 20 HA ILE 20 8.664 8.931 5.947 168 HB ILE 20 HB ILE 20 6.269 10.062 4.565 169 1HG1 ILE 20 1HG1 ILE 20 6.409 11.704 6.375 170 2HG1 ILE 20 2HG1 ILE 20 7.607 10.733 7.231 171 1HG2 ILE 20 1HG2 ILE 20 6.065 8.790 7.309 172 2HG2 ILE 20 2HG2 ILE 20 4.889 9.927 6.615 173 3HG2 ILE 20 3HG2 ILE 20 5.134 8.363 5.849 174 1HD1 ILE 20 1HD1 ILE 20 8.575 12.711 6.096 175 2HD1 ILE 20 2HD1 ILE 20 9.273 11.198 5.497 176 3HD1 ILE 20 3HD1 ILE 20 8.056 12.061 4.535 177 H VAL 21 H VAL 21 6.158 7.308 3.811 178 HA VAL 21 HA VAL 21 5.716 5.232 5.569 179 HB VAL 21 HB VAL 21 5.524 5.344 2.536 180 1HG1 VAL 21 1HG1 VAL 21 3.957 3.408 2.720 181 2HG1 VAL 21 2HG1 VAL 21 5.625 2.964 3.067 182 3HG1 VAL 21 3HG1 VAL 21 4.467 3.171 4.407 183 1HG2 VAL 21 1HG2 VAL 21 4.021 6.868 3.835 184 2HG2 VAL 21 2HG2 VAL 21 3.128 5.602 3.009 185 3HG2 VAL 21 3HG2 VAL 21 3.417 5.467 4.753 186 H ARG 22 H ARG 22 8.383 5.245 2.968 187 HA ARG 22 HA ARG 22 9.157 2.588 3.626 188 1HB ARG 22 1HB ARG 22 10.398 5.008 2.271 189 2HB ARG 22 2HB ARG 22 11.263 3.523 2.467 190 1HG ARG 22 1HG ARG 22 9.537 2.241 1.279 191 2HG ARG 22 2HG ARG 22 8.576 3.666 1.064 192 1HD ARG 22 1HD ARG 22 11.141 2.897 -0.283 193 2HD ARG 22 2HD ARG 22 9.616 3.378 -1.022 194 HE ARG 22 HE ARG 22 10.305 5.636 0.271 195 1HH1 ARG 22 2HH2 ARG 22 12.128 3.524 -1.994 196 2HH1 ARG 22 1HH2 ARG 22 13.212 4.757 -2.480 197 1HH2 ARG 22 2HH1 ARG 22 12.214 7.083 -0.012 198 2HH2 ARG 22 1HH1 ARG 22 13.290 6.742 -1.321 199 H ASN 23 H ASN 23 10.135 5.799 4.872 200 HA ASN 23 HA ASN 23 12.304 4.942 6.507 201 1HB ASN 23 1HB ASN 23 11.737 7.281 5.808 202 2HB ASN 23 2HB ASN 23 10.386 7.271 6.937 203 1HD2 ASN 23 1HD2 ASN 23 11.995 9.283 7.239 204 2HD2 ASN 23 2HD2 ASN 23 12.932 9.096 8.698 205 H LEU 24 H LEU 24 8.865 5.520 7.302 206 HA LEU 24 HA LEU 24 8.736 4.623 9.954 207 1HB LEU 24 1HB LEU 24 6.647 4.380 7.776 208 2HB LEU 24 2HB LEU 24 6.360 4.119 9.488 209 HG LEU 24 HG LEU 24 7.164 6.773 8.229 210 1HD1 LEU 24 1HD1 LEU 24 4.838 7.402 8.805 211 2HD1 LEU 24 2HD1 LEU 24 4.931 6.086 7.630 212 3HD1 LEU 24 3HD1 LEU 24 4.532 5.719 9.314 213 1HD2 LEU 24 1HD2 LEU 24 8.090 6.796 10.405 214 2HD2 LEU 24 2HD2 LEU 24 6.613 7.758 10.433 215 3HD2 LEU 24 3HD2 LEU 24 6.633 6.120 11.123 216 H LEU 25 H LEU 25 8.247 2.717 6.941 217 HA LEU 25 HA LEU 25 7.772 0.224 8.178 218 1HB LEU 25 1HB LEU 25 8.844 1.079 5.483 219 2HB LEU 25 2HB LEU 25 8.888 -0.624 5.907 220 HG LEU 25 HG LEU 25 6.310 0.940 6.253 221 1HD1 LEU 25 1HD1 LEU 25 7.145 -0.452 3.684 222 2HD1 LEU 25 2HD1 LEU 25 5.596 0.359 4.042 223 3HD1 LEU 25 3HD1 LEU 25 7.073 1.311 3.921 224 1HD2 LEU 25 1HD2 LEU 25 5.334 -1.323 5.822 225 2HD2 LEU 25 2HD2 LEU 25 6.962 -1.992 5.698 226 3HD2 LEU 25 3HD2 LEU 25 6.399 -1.314 7.242 227 H LYS 26 H LYS 26 10.929 1.711 7.219 228 HA LYS 26 HA LYS 26 12.310 -0.619 8.322 229 1HB LYS 26 1HB LYS 26 13.577 2.004 7.548 230 2HB LYS 26 2HB LYS 26 14.360 0.442 7.790 231 1HG LYS 26 1HG LYS 26 12.367 -0.050 5.824 232 2HG LYS 26 2HG LYS 26 12.962 1.543 5.457 233 1HD LYS 26 1HD LYS 26 14.729 -0.918 5.724 234 2HD LYS 26 2HD LYS 26 14.070 -0.276 4.206 235 1HE LYS 26 1HE LYS 26 15.148 1.964 4.826 236 2HE LYS 26 2HE LYS 26 16.031 1.086 6.083 237 1HZ LYS 26 1HZ LYS 26 16.148 0.446 3.193 238 2HZ LYS 26 2HZ LYS 26 17.243 1.361 3.986 239 3HZ LYS 26 3HZ LYS 26 17.073 -0.216 4.403 240 H GLU 27 H GLU 27 11.065 2.308 9.828 241 HA GLU 27 HA GLU 27 12.686 2.067 12.217 242 1HB GLU 27 1HB GLU 27 9.754 2.918 12.203 243 2HB GLU 27 2HB GLU 27 10.980 3.187 13.425 244 1HG GLU 27 1HG GLU 27 12.213 4.490 11.474 245 2HG GLU 27 2HG GLU 27 10.605 4.522 10.766 246 H LEU 28 H LEU 28 9.637 0.567 11.104 247 HA LEU 28 HA LEU 28 9.333 -1.093 13.467 248 1HB LEU 28 1HB LEU 28 8.206 -1.460 10.660 249 2HB LEU 28 2HB LEU 28 7.720 -2.372 12.088 250 HG LEU 28 HG LEU 28 7.366 0.633 11.701 251 1HD1 LEU 28 1HD1 LEU 28 4.979 0.049 11.594 252 2HD1 LEU 28 2HD1 LEU 28 5.904 -0.721 10.287 253 3HD1 LEU 28 3HD1 LEU 28 5.396 -1.673 11.707 254 1HD2 LEU 28 1HD2 LEU 28 5.949 0.462 13.768 255 2HD2 LEU 28 2HD2 LEU 28 6.550 -1.193 14.004 256 3HD2 LEU 28 3HD2 LEU 28 7.659 0.198 14.082 257 H GLY 29 H GLY 29 10.883 -1.534 10.317 258 1HA GLY 29 1HA GLY 29 13.033 -2.717 10.418 259 2HA GLY 29 2HA GLY 29 12.254 -3.973 11.379 260 H PHE 30 H PHE 30 10.208 -2.837 8.831 261 HA PHE 30 HA PHE 30 10.819 -5.200 7.162 262 1HB PHE 30 1HB PHE 30 8.794 -2.961 7.011 263 2HB PHE 30 2HB PHE 30 9.222 -3.856 5.558 264 HD1 PHE 30 1HD PHE 30 9.342 -6.532 5.877 265 HD2 PHE 30 2HD PHE 30 6.891 -3.818 8.173 266 HE1 PHE 30 1HE PHE 30 7.784 -8.379 6.398 267 HE2 PHE 30 2HE PHE 30 5.345 -5.690 8.682 268 HZ PHE 30 HZ PHE 30 5.789 -7.973 7.807 269 H ASN 31 H ASN 31 11.614 -4.911 4.949 270 HA ASN 31 HA ASN 31 12.915 -2.399 4.302 271 1HB ASN 31 1HB ASN 31 15.136 -3.175 4.273 272 2HB ASN 31 2HB ASN 31 14.517 -3.741 5.817 273 1HD2 ASN 31 1HD2 ASN 31 16.594 -4.764 3.545 274 2HD2 ASN 31 2HD2 ASN 31 16.207 -6.445 3.489 275 H ASN 32 H ASN 32 14.440 -3.322 2.188 276 HA ASN 32 HA ASN 32 14.277 -3.733 -0.001 277 1HB ASN 32 1HB ASN 32 14.312 -6.077 0.846 278 2HB ASN 32 2HB ASN 32 12.547 -6.096 0.743 279 1HD2 ASN 32 1HD2 ASN 32 12.536 -7.781 -0.872 280 2HD2 ASN 32 2HD2 ASN 32 13.156 -7.513 -2.487 281 H VAL 33 H VAL 33 12.565 -1.783 0.998 282 HA VAL 33 HA VAL 33 9.975 -1.976 -0.246 283 HB VAL 33 HB VAL 33 10.074 0.579 -0.020 284 1HG1 VAL 33 1HG1 VAL 33 10.121 -1.299 2.363 285 2HG1 VAL 33 2HG1 VAL 33 9.769 0.427 2.541 286 3HG1 VAL 33 3HG1 VAL 33 8.729 -0.574 1.524 287 1HG2 VAL 33 1HG2 VAL 33 12.464 -0.047 1.769 288 2HG2 VAL 33 2HG2 VAL 33 12.561 0.758 0.181 289 3HG2 VAL 33 3HG2 VAL 33 11.706 1.516 1.526 290 H GLU 34 H GLU 34 9.296 -0.687 -2.104 291 HA GLU 34 HA GLU 34 11.325 0.028 -4.104 292 1HB GLU 34 1HB GLU 34 9.980 -2.409 -4.131 293 2HB GLU 34 2HB GLU 34 8.891 -1.421 -5.044 294 1HG GLU 34 1HG GLU 34 10.373 -2.543 -6.561 295 2HG GLU 34 2HG GLU 34 10.729 -0.813 -6.618 296 H GLU 35 H GLU 35 10.125 1.290 -5.906 297 HA GLU 35 HA GLU 35 7.591 2.489 -4.954 298 1HB GLU 35 1HB GLU 35 9.839 4.002 -6.302 299 2HB GLU 35 2HB GLU 35 8.277 4.652 -5.861 300 1HG GLU 35 1HG GLU 35 8.772 4.697 -3.546 301 2HG GLU 35 2HG GLU 35 10.136 3.583 -3.710 302 H ALA 36 H ALA 36 6.263 3.201 -6.697 303 HA ALA 36 HA ALA 36 7.075 2.460 -9.450 304 1HB ALA 36 1HB ALA 36 4.792 1.999 -10.004 305 2HB ALA 36 2HB ALA 36 5.080 1.096 -8.510 306 3HB ALA 36 3HB ALA 36 4.204 2.636 -8.486 307 H GLU 37 H GLU 37 6.106 4.081 -11.009 308 HA GLU 37 HA GLU 37 6.347 6.785 -10.183 309 1HB GLU 37 1HB GLU 37 4.861 5.597 -12.555 310 2HB GLU 37 2HB GLU 37 5.450 7.268 -12.407 311 1HG GLU 37 1HG GLU 37 7.791 6.245 -12.183 312 2HG GLU 37 2HG GLU 37 7.085 4.728 -12.654 313 H ASP 38 H ASP 38 3.447 4.635 -10.539 314 HA ASP 38 HA ASP 38 1.700 6.324 -9.036 315 1HB ASP 38 1HB ASP 38 2.058 7.135 -11.761 316 2HB ASP 38 2HB ASP 38 0.546 6.250 -11.743 317 H GLY 39 H GLY 39 -0.689 5.374 -9.444 318 1HA GLY 39 1HA GLY 39 -0.689 2.654 -8.849 319 2HA GLY 39 2HA GLY 39 -2.087 3.526 -9.484 320 H VAL 40 H VAL 40 -1.175 4.143 -12.034 321 HA VAL 40 HA VAL 40 -1.729 1.913 -13.633 322 HB VAL 40 HB VAL 40 -0.210 4.493 -14.203 323 1HG1 VAL 40 1HG1 VAL 40 0.486 2.962 -15.938 324 2HG1 VAL 40 2HG1 VAL 40 -1.172 2.368 -16.155 325 3HG1 VAL 40 3HG1 VAL 40 -0.735 4.033 -16.628 326 1HG2 VAL 40 1HG2 VAL 40 -2.299 5.238 -15.233 327 2HG2 VAL 40 2HG2 VAL 40 -3.064 3.671 -14.922 328 3HG2 VAL 40 3HG2 VAL 40 -2.629 4.746 -13.570 329 H ASP 41 H ASP 41 1.486 3.243 -12.683 330 HA ASP 41 HA ASP 41 2.990 1.139 -13.990 331 1HB ASP 41 1HB ASP 41 3.929 3.390 -13.608 332 2HB ASP 41 2HB ASP 41 3.773 3.176 -11.867 333 H ALA 42 H ALA 42 1.655 1.706 -10.684 334 HA ALA 42 HA ALA 42 3.133 -0.115 -9.258 335 1HB ALA 42 1HB ALA 42 1.397 1.551 -8.380 336 2HB ALA 42 2HB ALA 42 0.159 0.372 -8.822 337 3HB ALA 42 3HB ALA 42 1.374 -0.061 -7.624 338 H LEU 43 H LEU 43 0.047 -0.674 -11.035 339 HA LEU 43 HA LEU 43 -0.130 -3.443 -10.436 340 1HB LEU 43 1HB LEU 43 -1.859 -2.047 -11.718 341 2HB LEU 43 2HB LEU 43 -0.836 -2.249 -13.135 342 HG LEU 43 HG LEU 43 -1.023 -4.855 -12.552 343 1HD1 LEU 43 1HD1 LEU 43 -3.105 -5.485 -11.499 344 2HD1 LEU 43 2HD1 LEU 43 -2.217 -4.450 -10.378 345 3HD1 LEU 43 3HD1 LEU 43 -3.576 -3.777 -11.294 346 1HD2 LEU 43 1HD2 LEU 43 -1.850 -3.881 -14.615 347 2HD2 LEU 43 2HD2 LEU 43 -3.039 -5.017 -13.963 348 3HD2 LEU 43 3HD2 LEU 43 -3.287 -3.261 -13.787 349 H ASN 44 H ASN 44 1.645 -1.897 -13.128 350 HA ASN 44 HA ASN 44 2.445 -4.399 -14.303 351 1HB ASN 44 1HB ASN 44 2.337 -2.177 -15.509 352 2HB ASN 44 2HB ASN 44 3.812 -1.700 -14.645 353 1HD2 ASN 44 1HD2 ASN 44 5.618 -2.049 -16.029 354 2HD2 ASN 44 2HD2 ASN 44 5.833 -3.558 -16.928 355 H LYS 45 H LYS 45 3.832 -2.362 -11.774 356 HA LYS 45 HA LYS 45 6.354 -3.760 -11.556 357 1HB LYS 45 1HB LYS 45 4.762 -2.216 -9.478 358 2HB LYS 45 2HB LYS 45 6.384 -2.814 -9.239 359 1HG LYS 45 1HG LYS 45 5.879 -1.048 -11.642 360 2HG LYS 45 2HG LYS 45 5.880 -0.310 -10.043 361 1HD LYS 45 1HD LYS 45 8.099 -1.116 -9.569 362 2HD LYS 45 2HD LYS 45 8.139 -2.027 -11.091 363 1HE LYS 45 1HE LYS 45 8.008 1.007 -10.839 364 2HE LYS 45 2HE LYS 45 9.463 0.055 -11.201 365 1HZ LYS 45 1HZ LYS 45 8.552 0.876 -13.221 366 2HZ LYS 45 2HZ LYS 45 8.260 -0.741 -13.223 367 3HZ LYS 45 3HZ LYS 45 7.066 0.355 -12.884 368 H LEU 46 H LEU 46 3.105 -4.288 -9.997 369 HA LEU 46 HA LEU 46 3.910 -6.474 -8.383 370 1HB LEU 46 1HB LEU 46 1.218 -6.545 -9.752 371 2HB LEU 46 2HB LEU 46 1.646 -7.102 -8.141 372 HG LEU 46 HG LEU 46 1.334 -4.284 -9.106 373 1HD1 LEU 46 1HD1 LEU 46 -0.397 -5.817 -7.201 374 2HD1 LEU 46 2HD1 LEU 46 -0.626 -4.163 -7.836 375 3HD1 LEU 46 3HD1 LEU 46 -0.722 -5.548 -8.932 376 1HD2 LEU 46 1HD2 LEU 46 1.557 -3.494 -6.862 377 2HD2 LEU 46 2HD2 LEU 46 1.779 -5.152 -6.238 378 3HD2 LEU 46 3HD2 LEU 46 3.025 -4.386 -7.257 379 H GLN 47 H GLN 47 2.776 -6.397 -11.767 380 HA GLN 47 HA GLN 47 2.764 -9.225 -12.103 381 1HB GLN 47 1HB GLN 47 2.951 -6.980 -14.166 382 2HB GLN 47 2HB GLN 47 2.727 -8.685 -14.572 383 1HG GLN 47 1HG GLN 47 0.674 -8.696 -13.085 384 2HG GLN 47 2HG GLN 47 0.791 -6.932 -13.037 385 1HE2 GLN 47 1HE2 GLN 47 -1.168 -9.001 -14.395 386 2HE2 GLN 47 2HE2 GLN 47 -1.262 -8.420 -16.059 387 H ALA 48 H ALA 48 5.516 -7.615 -11.430 388 HA ALA 48 HA ALA 48 7.299 -9.394 -12.979 389 1HB ALA 48 1HB ALA 48 8.964 -8.673 -11.241 390 2HB ALA 48 2HB ALA 48 8.275 -7.336 -12.194 391 3HB ALA 48 3HB ALA 48 7.714 -7.620 -10.539 392 H GLY 49 H GLY 49 7.084 -9.200 -9.443 393 1HA GLY 49 1HA GLY 49 5.765 -11.275 -8.469 394 2HA GLY 49 2HA GLY 49 7.084 -12.146 -9.268 395 H GLY 50 H GLY 50 6.731 -12.308 -6.490 396 1HA GLY 50 1HA GLY 50 8.037 -12.286 -4.573 397 2HA GLY 50 2HA GLY 50 9.275 -11.340 -5.408 398 H TYR 51 H TYR 51 5.987 -10.140 -5.557 399 HA TYR 51 HA TYR 51 6.748 -7.763 -3.981 400 1HB TYR 51 1HB TYR 51 4.472 -8.409 -5.888 401 2HB TYR 51 2HB TYR 51 4.394 -7.050 -4.769 402 HD1 TYR 51 1HD TYR 51 6.859 -8.513 -7.202 403 HD2 TYR 51 2HD TYR 51 5.072 -4.966 -5.611 404 HE1 TYR 51 1HE TYR 51 8.482 -7.180 -8.482 405 HE2 TYR 51 2HE TYR 51 6.621 -3.587 -6.988 406 HH TYR 51 HH TYR 51 9.104 -5.065 -9.115 407 H GLY 52 H GLY 52 6.424 -7.846 -1.832 408 1HA GLY 52 1HA GLY 52 4.581 -9.862 -0.725 409 2HA GLY 52 2HA GLY 52 5.688 -8.787 0.134 410 H PHE 53 H PHE 53 4.606 -6.382 -1.376 411 HA PHE 53 HA PHE 53 2.052 -6.004 0.035 412 1HB PHE 53 1HB PHE 53 4.738 -5.051 0.916 413 2HB PHE 53 2HB PHE 53 3.546 -3.775 0.795 414 HD1 PHE 53 1HD PHE 53 4.334 -7.011 2.437 415 HD2 PHE 53 2HD PHE 53 1.769 -3.549 2.374 416 HE1 PHE 53 1HE PHE 53 3.380 -7.690 4.618 417 HE2 PHE 53 2HE PHE 53 0.886 -4.157 4.576 418 HZ PHE 53 HZ PHE 53 1.657 -6.293 5.700 419 H VAL 54 H VAL 54 0.844 -4.312 -0.693 420 HA VAL 54 HA VAL 54 1.897 -2.663 -2.915 421 HB VAL 54 HB VAL 54 -0.945 -3.737 -2.753 422 1HG1 VAL 54 1HG1 VAL 54 0.854 -2.737 -4.981 423 2HG1 VAL 54 2HG1 VAL 54 -0.686 -3.544 -5.282 424 3HG1 VAL 54 3HG1 VAL 54 -0.667 -2.006 -4.404 425 1HG2 VAL 54 1HG2 VAL 54 1.394 -5.157 -4.038 426 2HG2 VAL 54 2HG2 VAL 54 0.389 -5.731 -2.689 427 3HG2 VAL 54 3HG2 VAL 54 -0.351 -5.518 -4.271 428 H ILE 55 H ILE 55 2.321 -0.964 -1.479 429 HA ILE 55 HA ILE 55 0.027 0.178 -0.002 430 HB ILE 55 HB ILE 55 2.946 0.932 0.291 431 1HG1 ILE 55 1HG1 ILE 55 1.410 -1.238 1.773 432 2HG1 ILE 55 2HG1 ILE 55 2.852 -1.456 0.776 433 1HG2 ILE 55 1HG2 ILE 55 2.189 1.879 2.423 434 2HG2 ILE 55 2HG2 ILE 55 1.222 2.525 1.106 435 3HG2 ILE 55 3HG2 ILE 55 0.551 1.245 2.141 436 1HD1 ILE 55 1HD1 ILE 55 4.209 -0.234 2.388 437 2HD1 ILE 55 2HD1 ILE 55 2.792 -0.063 3.466 438 3HD1 ILE 55 3HD1 ILE 55 3.421 -1.664 3.088 439 H SER 56 H SER 56 -0.904 2.061 -0.892 440 HA SER 56 HA SER 56 0.580 3.549 -2.928 441 1HB SER 56 1HB SER 56 -1.948 1.983 -3.607 442 2HB SER 56 2HB SER 56 -1.133 3.140 -4.673 443 HG SER 56 HG SER 56 0.618 1.325 -3.716 444 H ASP 57 H ASP 57 -0.703 5.431 -3.715 445 HA ASP 57 HA ASP 57 -2.182 6.671 -1.560 446 1HB ASP 57 1HB ASP 57 -0.797 7.701 -3.616 447 2HB ASP 57 2HB ASP 57 -2.361 7.704 -4.363 448 H TRP 58 H TRP 58 -4.291 7.768 -2.236 449 HA TRP 58 HA TRP 58 -6.266 5.855 -3.293 450 1HB TRP 58 1HB TRP 58 -6.896 7.376 -1.431 451 2HB TRP 58 2HB TRP 58 -6.515 8.789 -2.425 452 HD1 TRP 58 HD TRP 58 -8.244 9.367 -4.383 453 HE1 TRP 58 1HE TRP 58 -10.407 8.320 -5.228 454 HE3 TRP 58 3HE TRP 58 -8.215 5.136 -1.570 455 HZ2 TRP 58 2HZ TRP 58 -12.009 5.962 -4.659 456 HZ3 TRP 58 3HZ TRP 58 -9.995 3.439 -1.836 457 HH2 TRP 58 HH TRP 58 -11.951 3.889 -3.286 458 H ASN 59 H ASN 59 -4.974 9.051 -3.939 459 HA ASN 59 HA ASN 59 -5.344 10.476 -5.685 460 1HB ASN 59 1HB ASN 59 -3.413 10.401 -6.996 461 2HB ASN 59 2HB ASN 59 -3.028 9.737 -5.426 462 1HD2 ASN 59 1HD2 ASN 59 -1.166 9.221 -7.052 463 2HD2 ASN 59 2HD2 ASN 59 -1.267 7.734 -7.957 464 H MET 60 H MET 60 -4.629 9.912 -8.500 465 HA MET 60 HA MET 60 -6.679 8.390 -9.711 466 1HB MET 60 1HB MET 60 -8.099 10.216 -10.589 467 2HB MET 60 2HB MET 60 -8.315 9.934 -8.889 468 1HG MET 60 1HG MET 60 -6.439 12.122 -9.856 469 2HG MET 60 2HG MET 60 -8.167 12.384 -9.782 470 1HE MET 60 1HE MET 60 -6.127 14.306 -6.829 471 2HE MET 60 2HE MET 60 -5.254 13.579 -8.196 472 3HE MET 60 3HE MET 60 -6.753 14.486 -8.484 473 HA PRO 61 HA PRO 61 -3.463 10.037 -12.712 474 1HB PRO 61 1HB PRO 61 -2.336 7.625 -13.416 475 2HB PRO 61 2HB PRO 61 -1.730 8.645 -12.079 476 1HG PRO 61 1HG PRO 61 -3.574 6.265 -11.909 477 2HG PRO 61 2HG PRO 61 -2.138 6.583 -10.926 478 1HD PRO 61 1HD PRO 61 -4.626 7.203 -10.024 479 2HD PRO 61 2HD PRO 61 -3.243 8.275 -9.697 480 H ASN 62 H ASN 62 -4.839 6.767 -12.910 481 HA ASN 62 HA ASN 62 -7.070 7.433 -14.588 482 1HB ASN 62 1HB ASN 62 -4.648 6.040 -15.790 483 2HB ASN 62 2HB ASN 62 -6.262 5.507 -16.240 484 1HD2 ASN 62 1HD2 ASN 62 -7.883 7.389 -16.934 485 2HD2 ASN 62 2HD2 ASN 62 -7.078 8.538 -18.003 486 H MET 63 H MET 63 -4.971 4.544 -14.146 487 HA MET 63 HA MET 63 -6.942 3.090 -12.566 488 1HB MET 63 1HB MET 63 -5.208 1.949 -13.957 489 2HB MET 63 2HB MET 63 -3.945 2.616 -12.925 490 1HG MET 63 1HG MET 63 -4.799 1.427 -10.998 491 2HG MET 63 2HG MET 63 -6.208 0.872 -11.894 492 1HE MET 63 1HE MET 63 -5.292 -0.264 -14.635 493 2HE MET 63 2HE MET 63 -5.016 -1.943 -14.144 494 3HE MET 63 3HE MET 63 -6.365 -1.032 -13.440 495 H ASP 64 H ASP 64 -7.504 4.544 -10.926 496 HA ASP 64 HA ASP 64 -5.601 5.770 -9.101 497 1HB ASP 64 1HB ASP 64 -7.412 6.527 -7.928 498 2HB ASP 64 2HB ASP 64 -7.992 6.569 -9.589 499 H GLY 65 H GLY 65 -5.870 5.170 -6.688 500 1HA GLY 65 1HA GLY 65 -4.761 2.666 -6.207 501 2HA GLY 65 2HA GLY 65 -5.570 3.687 -5.009 502 H LEU 66 H LEU 66 -8.225 3.588 -6.382 503 HA LEU 66 HA LEU 66 -9.144 1.170 -5.158 504 1HB LEU 66 1HB LEU 66 -10.335 3.485 -5.461 505 2HB LEU 66 2HB LEU 66 -10.815 2.903 -7.039 506 HG LEU 66 HG LEU 66 -12.466 2.717 -5.146 507 1HD1 LEU 66 1HD1 LEU 66 -11.889 0.027 -6.381 508 2HD1 LEU 66 2HD1 LEU 66 -13.412 0.578 -5.652 509 3HD1 LEU 66 3HD1 LEU 66 -12.826 1.333 -7.147 510 1HD2 LEU 66 1HD2 LEU 66 -10.759 1.862 -3.453 511 2HD2 LEU 66 2HD2 LEU 66 -12.301 0.988 -3.532 512 3HD2 LEU 66 3HD2 LEU 66 -10.874 0.288 -4.273 513 H GLU 67 H GLU 67 -8.943 2.267 -8.585 514 HA GLU 67 HA GLU 67 -9.877 -0.171 -9.728 515 1HB GLU 67 1HB GLU 67 -8.061 2.033 -10.752 516 2HB GLU 67 2HB GLU 67 -8.653 0.729 -11.777 517 1HG GLU 67 1HG GLU 67 -10.682 2.342 -10.201 518 2HG GLU 67 2HG GLU 67 -9.883 3.056 -11.604 519 H LEU 68 H LEU 68 -6.615 0.928 -8.789 520 HA LEU 68 HA LEU 68 -5.072 -1.241 -9.775 521 1HB LEU 68 1HB LEU 68 -4.065 0.819 -8.897 522 2HB LEU 68 2HB LEU 68 -4.778 0.535 -7.320 523 HG LEU 68 HG LEU 68 -3.358 -1.525 -7.064 524 1HD1 LEU 68 1HD1 LEU 68 -2.055 -0.462 -9.607 525 2HD1 LEU 68 2HD1 LEU 68 -1.339 -1.689 -8.549 526 3HD1 LEU 68 3HD1 LEU 68 -2.847 -2.033 -9.414 527 1HD2 LEU 68 1HD2 LEU 68 -1.916 1.115 -7.520 528 2HD2 LEU 68 2HD2 LEU 68 -2.739 0.602 -6.035 529 3HD2 LEU 68 3HD2 LEU 68 -1.299 -0.259 -6.572 530 H LEU 69 H LEU 69 -6.395 -0.796 -6.455 531 HA LEU 69 HA LEU 69 -6.001 -3.378 -5.411 532 1HB LEU 69 1HB LEU 69 -6.763 -1.926 -3.834 533 2HB LEU 69 2HB LEU 69 -7.858 -1.098 -4.935 534 HG LEU 69 HG LEU 69 -9.565 -2.739 -4.693 535 1HD1 LEU 69 1HD1 LEU 69 -7.872 -4.735 -4.001 536 2HD1 LEU 69 2HD1 LEU 69 -8.286 -4.146 -2.384 537 3HD1 LEU 69 3HD1 LEU 69 -9.559 -4.676 -3.468 538 1HD2 LEU 69 1HD2 LEU 69 -8.307 -1.769 -2.114 539 2HD2 LEU 69 2HD2 LEU 69 -9.478 -0.883 -3.086 540 3HD2 LEU 69 3HD2 LEU 69 -9.977 -2.340 -2.214 541 H LYS 70 H LYS 70 -8.874 -2.185 -7.269 542 HA LYS 70 HA LYS 70 -10.137 -4.744 -7.120 543 1HB LYS 70 1HB LYS 70 -10.596 -2.272 -8.831 544 2HB LYS 70 2HB LYS 70 -11.517 -3.754 -9.068 545 1HG LYS 70 1HG LYS 70 -12.009 -3.744 -6.560 546 2HG LYS 70 2HG LYS 70 -11.351 -2.114 -6.508 547 1HD LYS 70 1HD LYS 70 -13.122 -1.305 -8.006 548 2HD LYS 70 2HD LYS 70 -13.598 -2.967 -8.373 549 1HE LYS 70 1HE LYS 70 -14.093 -3.268 -5.893 550 2HE LYS 70 2HE LYS 70 -13.999 -1.495 -5.765 551 1HZ LYS 70 1HZ LYS 70 -16.253 -2.370 -6.093 552 2HZ LYS 70 2HZ LYS 70 -15.823 -1.314 -7.262 553 3HZ LYS 70 3HZ LYS 70 -15.820 -2.947 -7.570 554 H THR 71 H THR 71 -7.731 -3.588 -9.413 555 HA THR 71 HA THR 71 -8.183 -5.694 -11.361 556 HB THR 71 HB THR 71 -5.820 -3.846 -10.860 557 HG1 THR 71 1HG THR 71 -7.585 -2.650 -11.318 558 1HG2 THR 71 1HG2 THR 71 -6.594 -5.431 -13.346 559 2HG2 THR 71 2HG2 THR 71 -5.291 -4.233 -13.225 560 3HG2 THR 71 3HG2 THR 71 -5.187 -5.746 -12.311 561 H ILE 72 H ILE 72 -5.958 -5.192 -8.589 562 HA ILE 72 HA ILE 72 -4.792 -7.790 -8.632 563 HB ILE 72 HB ILE 72 -5.189 -6.017 -6.249 564 1HG1 ILE 72 1HG1 ILE 72 -2.721 -5.936 -7.949 565 2HG1 ILE 72 2HG1 ILE 72 -4.005 -4.834 -8.277 566 1HG2 ILE 72 1HG2 ILE 72 -4.433 -8.260 -5.671 567 2HG2 ILE 72 2HG2 ILE 72 -3.037 -8.077 -6.758 568 3HG2 ILE 72 3HG2 ILE 72 -3.219 -7.046 -5.316 569 1HD1 ILE 72 1HD1 ILE 72 -2.398 -4.992 -5.714 570 2HD1 ILE 72 2HD1 ILE 72 -2.475 -3.667 -6.882 571 3HD1 ILE 72 3HD1 ILE 72 -3.875 -4.008 -5.881 572 H ARG 73 H ARG 73 -7.711 -6.592 -6.952 573 HA ARG 73 HA ARG 73 -8.258 -8.881 -5.460 574 1HB ARG 73 1HB ARG 73 -9.312 -6.586 -5.360 575 2HB ARG 73 2HB ARG 73 -10.332 -7.019 -6.722 576 1HG ARG 73 1HG ARG 73 -10.320 -8.638 -4.132 577 2HG ARG 73 2HG ARG 73 -11.193 -7.129 -4.282 578 1HD ARG 73 1HD ARG 73 -12.872 -8.587 -4.771 579 2HD ARG 73 2HD ARG 73 -12.314 -8.168 -6.396 580 HE ARG 73 HE ARG 73 -11.080 -10.503 -5.086 581 1HH1 ARG 73 2HH2 ARG 73 -13.578 -9.482 -7.540 582 2HH1 ARG 73 1HH2 ARG 73 -13.775 -11.145 -8.033 583 1HH2 ARG 73 2HH1 ARG 73 -11.265 -12.549 -6.083 584 2HH2 ARG 73 1HH1 ARG 73 -12.469 -12.808 -7.306 585 H ALA 74 H ALA 74 -9.341 -8.121 -8.785 586 HA ALA 74 HA ALA 74 -10.611 -10.723 -9.128 587 1HB ALA 74 1HB ALA 74 -9.995 -8.615 -11.209 588 2HB ALA 74 2HB ALA 74 -11.194 -9.913 -11.320 589 3HB ALA 74 3HB ALA 74 -11.455 -8.586 -10.172 590 H ASP 75 H ASP 75 -7.450 -10.354 -8.748 591 HA ASP 75 HA ASP 75 -6.505 -11.761 -11.154 592 1HB ASP 75 1HB ASP 75 -5.237 -9.952 -9.737 593 2HB ASP 75 2HB ASP 75 -4.909 -11.288 -8.627 594 H GLY 76 H GLY 76 -4.793 -13.588 -9.919 595 1HA GLY 76 1HA GLY 76 -6.279 -15.237 -7.988 596 2HA GLY 76 2HA GLY 76 -5.781 -16.021 -9.497 597 H ALA 77 H ALA 77 -3.268 -14.666 -9.898 598 HA ALA 77 HA ALA 77 -1.565 -15.981 -7.906 599 1HB ALA 77 1HB ALA 77 0.240 -15.360 -9.423 600 2HB ALA 77 2HB ALA 77 -1.057 -16.147 -10.326 601 3HB ALA 77 3HB ALA 77 -0.872 -14.374 -10.397 602 H MET 78 H MET 78 -2.957 -12.850 -8.325 603 HA MET 78 HA MET 78 -0.988 -11.759 -6.352 604 1HB MET 78 1HB MET 78 -2.543 -10.117 -8.378 605 2HB MET 78 2HB MET 78 -1.236 -9.594 -7.317 606 1HG MET 78 1HG MET 78 0.204 -11.350 -8.580 607 2HG MET 78 2HG MET 78 -1.068 -11.304 -9.795 608 1HE MET 78 1HE MET 78 -0.935 -7.443 -10.831 609 2HE MET 78 2HE MET 78 -1.924 -8.917 -10.836 610 3HE MET 78 3HE MET 78 -1.783 -7.948 -9.354 611 H SER 79 H SER 79 -4.207 -12.744 -6.519 612 HA SER 79 HA SER 79 -5.508 -10.445 -5.420 613 1HB SER 79 1HB SER 79 -7.339 -12.184 -5.007 614 2HB SER 79 2HB SER 79 -6.810 -11.936 -6.678 615 HG SER 79 HG SER 79 -6.797 -14.166 -5.246 616 H ALA 80 H ALA 80 -3.508 -12.842 -3.924 617 HA ALA 80 HA ALA 80 -4.553 -12.457 -1.227 618 1HB ALA 80 1HB ALA 80 -3.462 -14.551 -2.044 619 2HB ALA 80 2HB ALA 80 -1.925 -13.653 -2.174 620 3HB ALA 80 3HB ALA 80 -2.690 -13.884 -0.598 621 H LEU 81 H LEU 81 -2.667 -10.421 -3.243 622 HA LEU 81 HA LEU 81 -0.640 -9.549 -1.478 623 1HB LEU 81 1HB LEU 81 -2.127 -8.274 -3.784 624 2HB LEU 81 2HB LEU 81 -1.024 -7.319 -2.843 625 HG LEU 81 HG LEU 81 -0.228 -9.860 -4.312 626 1HD1 LEU 81 1HD1 LEU 81 0.579 -8.595 -6.091 627 2HD1 LEU 81 2HD1 LEU 81 -0.851 -7.632 -5.668 628 3HD1 LEU 81 3HD1 LEU 81 0.767 -7.137 -5.154 629 1HD2 LEU 81 1HD2 LEU 81 1.299 -9.493 -2.456 630 2HD2 LEU 81 2HD2 LEU 81 2.094 -8.943 -3.932 631 3HD2 LEU 81 3HD2 LEU 81 1.409 -7.760 -2.808 632 HA PRO 82 HA PRO 82 -3.203 -6.980 1.279 633 1HB PRO 82 1HB PRO 82 -1.195 -5.705 2.642 634 2HB PRO 82 2HB PRO 82 -1.740 -7.365 3.018 635 1HG PRO 82 1HG PRO 82 0.645 -6.485 1.449 636 2HG PRO 82 2HG PRO 82 0.531 -7.828 2.612 637 1HD PRO 82 1HD PRO 82 0.417 -8.125 -0.151 638 2HD PRO 82 2HD PRO 82 -0.373 -9.259 0.983 639 H VAL 83 H VAL 83 -4.080 -5.184 0.551 640 HA VAL 83 HA VAL 83 -2.603 -3.281 -1.184 641 HB VAL 83 HB VAL 83 -4.979 -2.959 -2.154 642 1HG1 VAL 83 1HG1 VAL 83 -3.413 -5.508 -2.715 643 2HG1 VAL 83 2HG1 VAL 83 -4.652 -4.798 -3.772 644 3HG1 VAL 83 3HG1 VAL 83 -3.165 -3.902 -3.449 645 1HG2 VAL 83 1HG2 VAL 83 -6.293 -4.294 -0.571 646 2HG2 VAL 83 2HG2 VAL 83 -6.365 -5.018 -2.185 647 3HG2 VAL 83 3HG2 VAL 83 -5.365 -5.754 -0.961 648 H LEU 84 H LEU 84 -2.247 -1.466 -0.072 649 HA LEU 84 HA LEU 84 -4.117 -0.751 2.146 650 1HB LEU 84 1HB LEU 84 -2.134 -1.882 2.977 651 2HB LEU 84 2HB LEU 84 -1.083 -0.804 2.050 652 HG LEU 84 HG LEU 84 -1.753 1.113 3.419 653 1HD1 LEU 84 1HD1 LEU 84 -3.126 0.718 5.503 654 2HD1 LEU 84 2HD1 LEU 84 -4.023 0.698 3.992 655 3HD1 LEU 84 3HD1 LEU 84 -3.623 -0.842 4.798 656 1HD2 LEU 84 1HD2 LEU 84 -0.730 0.411 5.534 657 2HD2 LEU 84 2HD2 LEU 84 -1.006 -1.296 5.116 658 3HD2 LEU 84 3HD2 LEU 84 0.121 -0.307 4.156 659 H MET 85 H MET 85 -5.012 1.152 1.863 660 HA MET 85 HA MET 85 -3.971 3.090 -0.092 661 1HB MET 85 1HB MET 85 -6.345 3.346 1.801 662 2HB MET 85 2HB MET 85 -6.007 4.337 0.397 663 1HG MET 85 1HG MET 85 -6.637 1.349 0.284 664 2HG MET 85 2HG MET 85 -7.837 2.618 0.153 665 1HE MET 85 1HE MET 85 -8.675 1.429 -1.913 666 2HE MET 85 2HE MET 85 -7.759 1.188 -3.410 667 3HE MET 85 3HE MET 85 -7.339 0.251 -1.967 668 H VAL 86 H VAL 86 -2.452 4.627 0.567 669 HA VAL 86 HA VAL 86 -2.593 5.680 3.337 670 HB VAL 86 HB VAL 86 -0.011 5.099 1.830 671 1HG1 VAL 86 1HG1 VAL 86 -0.604 6.113 4.662 672 2HG1 VAL 86 2HG1 VAL 86 1.001 5.640 4.062 673 3HG1 VAL 86 3HG1 VAL 86 0.178 7.011 3.334 674 1HG2 VAL 86 1HG2 VAL 86 -1.285 3.597 4.159 675 2HG2 VAL 86 2HG2 VAL 86 -0.944 2.990 2.525 676 3HG2 VAL 86 3HG2 VAL 86 0.393 3.400 3.608 677 H THR 87 H THR 87 -3.191 7.826 3.131 678 HA THR 87 HA THR 87 -2.137 9.406 0.881 679 HB THR 87 HB THR 87 -3.917 8.064 -0.130 680 HG1 THR 87 1HG THR 87 -4.034 9.821 -1.146 681 1HG2 THR 87 1HG2 THR 87 -5.332 7.487 1.737 682 2HG2 THR 87 2HG2 THR 87 -5.735 9.191 2.031 683 3HG2 THR 87 3HG2 THR 87 -6.296 8.381 0.556 684 H ALA 88 H ALA 88 -3.118 11.646 0.926 685 HA ALA 88 HA ALA 88 -3.596 12.652 3.675 686 1HB ALA 88 1HB ALA 88 -2.226 13.969 2.043 687 2HB ALA 88 2HB ALA 88 -3.644 14.076 0.977 688 3HB ALA 88 3HB ALA 88 -3.672 14.844 2.576 689 H GLU 89 H GLU 89 -5.444 11.452 0.921 690 HA GLU 89 HA GLU 89 -7.746 13.162 1.425 691 1HB GLU 89 1HB GLU 89 -7.113 10.978 -0.597 692 2HB GLU 89 2HB GLU 89 -8.611 11.921 -0.559 693 1HG GLU 89 1HG GLU 89 -5.929 13.323 -0.744 694 2HG GLU 89 2HG GLU 89 -6.730 12.657 -2.165 695 H ALA 90 H ALA 90 -8.998 12.626 3.158 696 HA ALA 90 HA ALA 90 -9.595 9.899 3.944 697 1HB ALA 90 1HB ALA 90 -9.737 11.742 5.574 698 2HB ALA 90 2HB ALA 90 -11.005 12.518 4.630 699 3HB ALA 90 3HB ALA 90 -11.293 10.932 5.393 700 H LYS 91 H LYS 91 -11.808 12.390 2.676 701 HA LYS 91 HA LYS 91 -13.973 12.140 2.049 702 1HB LYS 91 1HB LYS 91 -12.910 12.650 0.025 703 2HB LYS 91 2HB LYS 91 -12.441 10.969 -0.262 704 1HG LYS 91 1HG LYS 91 -14.609 10.303 -0.825 705 2HG LYS 91 2HG LYS 91 -15.384 11.618 0.065 706 1HD LYS 91 1HD LYS 91 -14.915 13.217 -1.612 707 2HD LYS 91 2HD LYS 91 -13.755 12.147 -2.443 708 1HE LYS 91 1HE LYS 91 -15.473 10.621 -3.113 709 2HE LYS 91 2HE LYS 91 -16.683 11.391 -2.070 710 1HZ LYS 91 1HZ LYS 91 -16.968 13.090 -3.514 711 2HZ LYS 91 2HZ LYS 91 -15.463 12.963 -4.203 712 3HZ LYS 91 3HZ LYS 91 -16.635 11.880 -4.568 713 H LYS 92 H LYS 92 -15.212 10.968 3.407 714 HA LYS 92 HA LYS 92 -14.918 8.312 3.899 715 1HB LYS 92 1HB LYS 92 -16.578 10.125 4.978 716 2HB LYS 92 2HB LYS 92 -17.755 9.258 3.978 717 1HG LYS 92 1HG LYS 92 -16.630 7.092 5.026 718 2HG LYS 92 2HG LYS 92 -16.008 8.227 6.235 719 1HD LYS 92 1HD LYS 92 -18.432 8.974 6.586 720 2HD LYS 92 2HD LYS 92 -18.913 7.630 5.535 721 1HE LYS 92 1HE LYS 92 -17.372 7.403 8.152 722 2HE LYS 92 2HE LYS 92 -19.095 7.073 7.947 723 1HZ LYS 92 1HZ LYS 92 -16.930 5.542 6.620 724 2HZ LYS 92 2HZ LYS 92 -17.706 5.082 7.951 725 3HZ LYS 92 3HZ LYS 92 -18.546 5.192 6.557 726 H GLU 93 H GLU 93 -17.062 9.584 1.280 727 HA GLU 93 HA GLU 93 -18.123 7.128 0.425 728 1HB GLU 93 1HB GLU 93 -17.260 9.594 -1.105 729 2HB GLU 93 2HB GLU 93 -18.076 8.244 -1.900 730 1HG GLU 93 1HG GLU 93 -20.111 8.701 -0.982 731 2HG GLU 93 2HG GLU 93 -19.434 9.231 0.565 732 H ASN 94 H ASN 94 -14.813 8.365 -0.145 733 HA ASN 94 HA ASN 94 -14.153 6.271 -2.084 734 1HB ASN 94 1HB ASN 94 -12.440 8.287 -0.569 735 2HB ASN 94 2HB ASN 94 -11.794 7.069 -1.630 736 1HD2 ASN 94 1HD2 ASN 94 -13.690 7.177 -3.873 737 2HD2 ASN 94 2HD2 ASN 94 -13.401 8.749 -4.575 738 H ILE 95 H ILE 95 -13.774 6.910 1.423 739 HA ILE 95 HA ILE 95 -12.324 4.482 1.958 740 HB ILE 95 HB ILE 95 -14.049 6.312 3.645 741 1HG1 ILE 95 1HG1 ILE 95 -11.166 5.535 4.157 742 2HG1 ILE 95 2HG1 ILE 95 -11.518 6.621 2.812 743 1HG2 ILE 95 1HG2 ILE 95 -12.768 3.707 4.579 744 2HG2 ILE 95 2HG2 ILE 95 -13.352 4.988 5.669 745 3HG2 ILE 95 3HG2 ILE 95 -14.491 4.122 4.639 746 1HD1 ILE 95 1HD1 ILE 95 -10.982 7.888 4.835 747 2HD1 ILE 95 2HD1 ILE 95 -12.626 8.218 4.271 748 3HD1 ILE 95 3HD1 ILE 95 -12.378 7.159 5.662 749 H ILE 96 H ILE 96 -15.868 5.099 1.686 750 HA ILE 96 HA ILE 96 -16.708 2.415 2.249 751 HB ILE 96 HB ILE 96 -17.991 4.636 0.620 752 1HG1 ILE 96 1HG1 ILE 96 -19.897 4.123 2.285 753 2HG1 ILE 96 2HG1 ILE 96 -18.735 3.155 3.187 754 1HG2 ILE 96 1HG2 ILE 96 -18.596 2.623 -0.629 755 2HG2 ILE 96 2HG2 ILE 96 -19.081 1.808 0.877 756 3HG2 ILE 96 3HG2 ILE 96 -19.980 3.211 0.262 757 1HD1 ILE 96 1HD1 ILE 96 -18.437 6.108 2.503 758 2HD1 ILE 96 2HD1 ILE 96 -19.117 5.526 4.004 759 3HD1 ILE 96 3HD1 ILE 96 -17.420 5.158 3.643 760 H ALA 97 H ALA 97 -15.849 4.008 -0.903 761 HA ALA 97 HA ALA 97 -16.139 1.728 -2.490 762 1HB ALA 97 1HB ALA 97 -15.731 3.940 -3.461 763 2HB ALA 97 2HB ALA 97 -14.083 3.954 -2.820 764 3HB ALA 97 3HB ALA 97 -14.543 2.773 -4.056 765 H ALA 98 H ALA 98 -13.201 2.757 -0.683 766 HA ALA 98 HA ALA 98 -11.509 0.626 -1.462 767 1HB ALA 98 1HB ALA 98 -11.545 1.925 1.304 768 2HB ALA 98 2HB ALA 98 -10.156 1.258 0.429 769 3HB ALA 98 3HB ALA 98 -10.934 2.762 -0.109 770 H ALA 99 H ALA 99 -13.721 0.874 1.362 771 HA ALA 99 HA ALA 99 -13.043 -1.668 2.474 772 1HB ALA 99 1HB ALA 99 -15.110 -1.305 3.828 773 2HB ALA 99 2HB ALA 99 -14.121 0.163 3.763 774 3HB ALA 99 3HB ALA 99 -15.575 0.038 2.762 775 H GLN 100 H GLN 100 -15.598 -0.630 0.230 776 HA GLN 100 HA GLN 100 -16.940 -3.109 -0.136 777 1HB GLN 100 1HB GLN 100 -16.575 -0.607 -1.851 778 2HB GLN 100 2HB GLN 100 -17.565 -1.959 -2.374 779 1HG GLN 100 1HG GLN 100 -18.052 -0.590 0.312 780 2HG GLN 100 2HG GLN 100 -18.743 0.000 -1.202 781 1HE2 GLN 100 1HE2 GLN 100 -18.813 -2.783 1.149 782 2HE2 GLN 100 2HE2 GLN 100 -20.192 -3.495 0.375 783 H ALA 101 H ALA 101 -14.306 -1.564 -2.111 784 HA ALA 101 HA ALA 101 -13.937 -3.696 -3.870 785 1HB ALA 101 1HB ALA 101 -11.979 -1.651 -2.745 786 2HB ALA 101 2HB ALA 101 -11.749 -2.599 -4.234 787 3HB ALA 101 3HB ALA 101 -13.039 -1.381 -4.111 788 H GLY 102 H GLY 102 -13.035 -3.417 -0.499 789 1HA GLY 102 1HA GLY 102 -12.487 -5.251 0.834 790 2HA GLY 102 2HA GLY 102 -11.899 -6.137 -0.582 791 H ALA 103 H ALA 103 -10.930 -2.773 0.101 792 HA ALA 103 HA ALA 103 -8.173 -3.387 -0.186 793 1HB ALA 103 1HB ALA 103 -7.708 -1.158 0.194 794 2HB ALA 103 2HB ALA 103 -9.387 -1.036 -0.360 795 3HB ALA 103 3HB ALA 103 -9.032 -0.943 1.363 796 H SER 104 H SER 104 -6.574 -3.859 1.316 797 HA SER 104 HA SER 104 -7.428 -5.121 3.715 798 1HB SER 104 1HB SER 104 -4.576 -4.398 3.006 799 2HB SER 104 2HB SER 104 -5.216 -5.820 3.861 800 HG SER 104 HG SER 104 -6.241 -6.401 1.840 801 H GLY 105 H GLY 105 -6.785 -1.768 3.070 802 1HA GLY 105 1HA GLY 105 -7.719 -1.079 5.563 803 2HA GLY 105 2HA GLY 105 -5.952 -0.988 5.712 804 H TYR 106 H TYR 106 -7.394 1.274 6.073 805 HA TYR 106 HA TYR 106 -6.453 2.932 3.828 806 1HB TYR 106 1HB TYR 106 -9.077 2.539 4.099 807 2HB TYR 106 2HB TYR 106 -8.921 3.696 5.402 808 HD1 TYR 106 1HD TYR 106 -7.509 5.980 4.625 809 HD2 TYR 106 2HD TYR 106 -9.685 3.303 2.030 810 HE1 TYR 106 1HE TYR 106 -7.752 7.778 2.949 811 HE2 TYR 106 2HE TYR 106 -9.982 5.142 0.387 812 HH TYR 106 HH TYR 106 -8.804 8.459 1.027 813 H VAL 107 H VAL 107 -5.099 4.482 4.534 814 HA VAL 107 HA VAL 107 -5.029 5.309 7.389 815 HB VAL 107 HB VAL 107 -2.776 4.577 5.476 816 1HG1 VAL 107 1HG1 VAL 107 -1.197 5.210 7.235 817 2HG1 VAL 107 2HG1 VAL 107 -2.152 6.609 6.746 818 3HG1 VAL 107 3HG1 VAL 107 -2.537 5.764 8.266 819 1HG2 VAL 107 1HG2 VAL 107 -2.121 2.977 7.223 820 2HG2 VAL 107 2HG2 VAL 107 -3.486 3.494 8.233 821 3HG2 VAL 107 3HG2 VAL 107 -3.775 2.651 6.690 822 H VAL 108 H VAL 108 -5.887 7.342 7.262 823 HA VAL 108 HA VAL 108 -5.140 9.095 4.996 824 HB VAL 108 HB VAL 108 -6.706 9.919 7.462 825 1HG1 VAL 108 1HG1 VAL 108 -5.874 11.695 5.857 826 2HG1 VAL 108 2HG1 VAL 108 -6.776 10.897 4.563 827 3HG1 VAL 108 3HG1 VAL 108 -7.614 11.623 5.955 828 1HG2 VAL 108 1HG2 VAL 108 -7.892 8.705 4.937 829 2HG2 VAL 108 2HG2 VAL 108 -7.961 7.994 6.562 830 3HG2 VAL 108 3HG2 VAL 108 -8.807 9.504 6.231 831 H LYS 109 H LYS 109 -3.790 10.973 5.507 832 HA LYS 109 HA LYS 109 -1.990 10.921 7.769 833 1HB LYS 109 1HB LYS 109 -3.049 13.170 6.015 834 2HB LYS 109 2HB LYS 109 -1.946 13.460 7.360 835 1HG LYS 109 1HG LYS 109 -0.277 11.922 6.336 836 2HG LYS 109 2HG LYS 109 -1.372 11.652 4.970 837 1HD LYS 109 1HD LYS 109 0.383 13.275 4.422 838 2HD LYS 109 2HD LYS 109 -1.208 14.022 4.319 839 1HE LYS 109 1HE LYS 109 0.124 14.220 6.975 840 2HE LYS 109 2HE LYS 109 1.010 15.011 5.665 841 1HZ LYS 109 1HZ LYS 109 -0.890 16.319 5.173 842 2HZ LYS 109 2HZ LYS 109 -1.838 15.563 6.272 843 3HZ LYS 109 3HZ LYS 109 -0.576 16.489 6.776 844 HA PRO 110 HA PRO 110 -1.140 12.323 9.445 845 1HB PRO 110 1HB PRO 110 -1.049 12.195 12.157 846 2HB PRO 110 2HB PRO 110 -1.418 13.715 11.287 847 1HG PRO 110 1HG PRO 110 -3.346 11.778 12.588 848 2HG PRO 110 2HG PRO 110 -3.314 13.564 12.707 849 1HD PRO 110 1HD PRO 110 -4.937 12.198 10.951 850 2HD PRO 110 2HD PRO 110 -4.266 13.815 10.574 851 H PHE 111 H PHE 111 0.308 10.536 9.845 852 HA PHE 111 HA PHE 111 -0.677 8.177 11.234 853 1HB PHE 111 1HB PHE 111 -0.213 6.642 9.377 854 2HB PHE 111 2HB PHE 111 -1.484 7.764 8.949 855 HD1 PHE 111 1HD PHE 111 2.109 6.872 8.495 856 HD2 PHE 111 2HD PHE 111 -1.270 9.052 6.934 857 HE1 PHE 111 1HE PHE 111 3.312 7.239 6.375 858 HE2 PHE 111 2HE PHE 111 -0.044 9.433 4.819 859 HZ PHE 111 HZ PHE 111 2.260 8.524 4.548 860 H THR 112 H THR 112 1.107 6.760 11.877 861 HA THR 112 HA THR 112 3.838 7.552 11.092 862 HB THR 112 HB THR 112 4.506 7.405 13.528 863 HG1 THR 112 1HG THR 112 2.247 8.117 14.660 864 1HG2 THR 112 1HG2 THR 112 2.646 9.720 12.969 865 2HG2 THR 112 2HG2 THR 112 4.047 9.675 14.057 866 3HG2 THR 112 3HG2 THR 112 4.281 9.568 12.313 867 H ALA 113 H ALA 113 5.305 5.837 12.571 868 HA ALA 113 HA ALA 113 4.804 3.282 11.483 869 1HB ALA 113 1HB ALA 113 7.056 4.077 12.125 870 2HB ALA 113 2HB ALA 113 6.564 4.077 13.835 871 3HB ALA 113 3HB ALA 113 6.663 2.563 12.927 872 H ALA 114 H ALA 114 3.691 4.813 14.510 873 HA ALA 114 HA ALA 114 2.794 2.492 15.843 874 1HB ALA 114 1HB ALA 114 1.432 4.067 17.159 875 2HB ALA 114 2HB ALA 114 3.073 4.688 16.925 876 3HB ALA 114 3HB ALA 114 1.726 5.349 15.965 877 H THR 115 H THR 115 1.276 4.185 13.105 878 HA THR 115 HA THR 115 -1.144 2.501 13.537 879 HB THR 115 HB THR 115 -1.443 4.992 13.214 880 HG1 THR 115 1HG THR 115 -3.256 3.714 12.944 881 1HG2 THR 115 1HG2 THR 115 0.060 5.332 11.306 882 2HG2 THR 115 2HG2 THR 115 -0.983 4.309 10.296 883 3HG2 THR 115 3HG2 THR 115 -1.615 5.816 10.975 884 H LEU 116 H LEU 116 1.654 3.038 11.465 885 HA LEU 116 HA LEU 116 0.998 1.341 9.305 886 1HB LEU 116 1HB LEU 116 3.035 2.935 9.739 887 2HB LEU 116 2HB LEU 116 3.740 1.562 10.565 888 HG LEU 116 HG LEU 116 4.727 1.571 8.488 889 1HD1 LEU 116 1HD1 LEU 116 2.432 -0.357 8.079 890 2HD1 LEU 116 2HD1 LEU 116 4.039 -0.439 7.360 891 3HD1 LEU 116 3HD1 LEU 116 3.855 -0.654 9.107 892 1HD2 LEU 116 1HD2 LEU 116 2.042 1.932 7.103 893 2HD2 LEU 116 2HD2 LEU 116 3.308 3.169 7.301 894 3HD2 LEU 116 3HD2 LEU 116 3.623 1.739 6.318 895 H GLU 117 H GLU 117 2.574 0.601 12.493 896 HA GLU 117 HA GLU 117 2.678 -2.195 12.115 897 1HB GLU 117 1HB GLU 117 3.434 -2.357 14.324 898 2HB GLU 117 2HB GLU 117 4.082 -0.892 13.644 899 1HG GLU 117 1HG GLU 117 3.491 0.035 15.583 900 2HG GLU 117 2HG GLU 117 1.894 0.155 14.869 901 H GLU 118 H GLU 118 0.186 -0.144 13.585 902 HA GLU 118 HA GLU 118 -1.566 -2.094 14.673 903 1HB GLU 118 1HB GLU 118 -1.807 0.169 15.220 904 2HB GLU 118 2HB GLU 118 -1.957 0.618 13.524 905 1HG GLU 118 1HG GLU 118 -4.056 0.770 14.458 906 2HG GLU 118 2HG GLU 118 -4.053 -0.602 13.333 907 H LYS 119 H LYS 119 -1.627 -0.565 11.425 908 HA LYS 119 HA LYS 119 -3.720 -2.300 10.467 909 1HB LYS 119 1HB LYS 119 -1.695 -0.629 8.992 910 2HB LYS 119 2HB LYS 119 -3.117 -1.388 8.247 911 1HG LYS 119 1HG LYS 119 -3.313 0.672 10.488 912 2HG LYS 119 2HG LYS 119 -3.186 1.108 8.787 913 1HD LYS 119 1HD LYS 119 -5.252 -0.160 8.282 914 2HD LYS 119 2HD LYS 119 -5.406 -0.577 10.010 915 1HE LYS 119 1HE LYS 119 -5.431 1.849 10.570 916 2HE LYS 119 2HE LYS 119 -5.318 2.251 8.850 917 1HZ LYS 119 1HZ LYS 119 -7.491 1.206 8.533 918 2HZ LYS 119 2HZ LYS 119 -7.542 0.787 10.133 919 3HZ LYS 119 3HZ LYS 119 -7.559 2.360 9.694 920 H LEU 120 H LEU 120 -0.152 -2.505 10.373 921 HA LEU 120 HA LEU 120 0.121 -4.718 8.614 922 1HB LEU 120 1HB LEU 120 1.757 -3.645 10.900 923 2HB LEU 120 2HB LEU 120 2.145 -5.216 10.266 924 HG LEU 120 HG LEU 120 2.192 -2.671 8.625 925 1HD1 LEU 120 1HD1 LEU 120 4.674 -3.000 8.785 926 2HD1 LEU 120 2HD1 LEU 120 3.886 -2.613 10.319 927 3HD1 LEU 120 3HD1 LEU 120 4.377 -4.270 10.006 928 1HD2 LEU 120 1HD2 LEU 120 1.784 -4.541 7.178 929 2HD2 LEU 120 2HD2 LEU 120 3.471 -4.066 7.001 930 3HD2 LEU 120 3HD2 LEU 120 3.056 -5.504 7.958 931 H ASN 121 H ASN 121 -0.101 -4.671 12.234 932 HA ASN 121 HA ASN 121 -0.153 -7.516 12.382 933 1HB ASN 121 1HB ASN 121 0.372 -5.779 14.223 934 2HB ASN 121 2HB ASN 121 -1.370 -5.762 14.515 935 1HD2 ASN 121 1HD2 ASN 121 0.323 -6.523 16.534 936 2HD2 ASN 121 2HD2 ASN 121 0.019 -8.248 16.849 937 H LYS 122 H LYS 122 -2.687 -5.146 11.928 938 HA LYS 122 HA LYS 122 -4.939 -6.846 12.136 939 1HB LYS 122 1HB LYS 122 -4.414 -4.231 11.215 940 2HB LYS 122 2HB LYS 122 -5.167 -5.031 9.846 941 1HG LYS 122 1HG LYS 122 -7.148 -5.496 11.051 942 2HG LYS 122 2HG LYS 122 -6.385 -5.215 12.629 943 1HD LYS 122 1HD LYS 122 -6.625 -3.016 10.548 944 2HD LYS 122 2HD LYS 122 -7.913 -3.330 11.702 945 1HE LYS 122 1HE LYS 122 -5.060 -2.955 12.685 946 2HE LYS 122 2HE LYS 122 -5.989 -1.551 12.196 947 1HZ LYS 122 1HZ LYS 122 -7.713 -2.175 13.789 948 2HZ LYS 122 2HZ LYS 122 -6.869 -3.503 14.273 949 3HZ LYS 122 3HZ LYS 122 -6.288 -2.006 14.566 950 H ILE 123 H ILE 123 -2.981 -6.209 9.123 951 HA ILE 123 HA ILE 123 -4.362 -8.369 7.767 952 HB ILE 123 HB ILE 123 -2.725 -8.002 5.942 953 1HG1 ILE 123 1HG1 ILE 123 -1.655 -5.892 7.836 954 2HG1 ILE 123 2HG1 ILE 123 -0.762 -7.249 7.153 955 1HG2 ILE 123 1HG2 ILE 123 -4.935 -6.847 6.168 956 2HG2 ILE 123 2HG2 ILE 123 -4.101 -5.486 6.964 957 3HG2 ILE 123 3HG2 ILE 123 -3.722 -5.922 5.290 958 1HD1 ILE 123 1HD1 ILE 123 -0.227 -5.086 6.174 959 2HD1 ILE 123 2HD1 ILE 123 -0.922 -6.182 4.946 960 3HD1 ILE 123 3HD1 ILE 123 -1.871 -4.833 5.640 961 H PHE 124 H PHE 124 -1.373 -8.349 9.684 962 HA PHE 124 HA PHE 124 -0.436 -10.929 8.909 963 1HB PHE 124 1HB PHE 124 -0.552 -9.694 11.681 964 2HB PHE 124 2HB PHE 124 0.410 -11.081 11.228 965 HD1 PHE 124 1HD PHE 124 1.561 -8.950 12.765 966 HD2 PHE 124 2HD PHE 124 1.309 -9.385 8.485 967 HE1 PHE 124 1HE PHE 124 3.453 -7.386 12.494 968 HE2 PHE 124 2HE PHE 124 3.236 -7.879 8.216 969 HZ PHE 124 HZ PHE 124 4.300 -6.834 10.238 970 H GLU 125 H GLU 125 -2.973 -9.919 11.224 971 HA GLU 125 HA GLU 125 -3.584 -12.679 11.925 972 1HB GLU 125 1HB GLU 125 -5.016 -10.010 12.374 973 2HB GLU 125 2HB GLU 125 -5.512 -11.500 13.138 974 1HG GLU 125 1HG GLU 125 -2.681 -10.486 13.530 975 2HG GLU 125 2HG GLU 125 -3.988 -9.729 14.399 976 H LYS 126 H LYS 126 -4.904 -10.198 9.882 977 HA LYS 126 HA LYS 126 -7.449 -11.525 9.448 978 1HB LYS 126 1HB LYS 126 -7.587 -9.194 9.480 979 2HB LYS 126 2HB LYS 126 -6.238 -8.988 8.380 980 1HG LYS 126 1HG LYS 126 -8.316 -8.358 7.330 981 2HG LYS 126 2HG LYS 126 -7.476 -9.630 6.490 982 1HD LYS 126 1HD LYS 126 -9.097 -11.288 7.648 983 2HD LYS 126 2HD LYS 126 -9.993 -9.834 8.139 984 1HE LYS 126 1HE LYS 126 -10.011 -9.168 5.659 985 2HE LYS 126 2HE LYS 126 -9.289 -10.735 5.294 986 1HZ LYS 126 1HZ LYS 126 -11.517 -11.102 5.001 987 2HZ LYS 126 2HZ LYS 126 -11.388 -11.604 6.556 988 3HZ LYS 126 3HZ LYS 126 -12.012 -10.124 6.190 989 H LEU 127 H LEU 127 -5.062 -10.506 6.858 990 HA LEU 127 HA LEU 127 -5.972 -12.551 5.111 991 1HB LEU 127 1HB LEU 127 -3.266 -11.230 4.971 992 2HB LEU 127 2HB LEU 127 -4.281 -11.810 3.662 993 HG LEU 127 HG LEU 127 -4.726 -9.313 5.344 994 1HD1 LEU 127 1HD1 LEU 127 -4.132 -9.656 2.373 995 2HD1 LEU 127 2HD1 LEU 127 -4.423 -8.117 3.215 996 3HD1 LEU 127 3HD1 LEU 127 -2.999 -9.096 3.607 997 1HD2 LEU 127 1HD2 LEU 127 -6.883 -10.534 4.675 998 2HD2 LEU 127 2HD2 LEU 127 -6.706 -8.863 4.125 999 3HD2 LEU 127 3HD2 LEU 127 -6.416 -10.232 3.011 1000 H GLY 128 H GLY 128 -3.634 -12.516 7.723 1001 1HA GLY 128 1HA GLY 128 -2.455 -14.368 8.626 1002 2HA GLY 128 2HA GLY 128 -2.894 -15.338 7.219 1003 H MET 129 H MET 129 -1.593 -11.962 7.308 1004 HA MET 129 HA MET 129 0.258 -12.633 5.150 1005 1HB MET 129 2HB MET 129 0.067 -10.172 6.919 1006 2HB MET 129 3HB MET 129 1.318 -10.396 5.698 1007 1HG MET 129 2HG MET 129 -1.621 -9.964 5.354 1008 2HG MET 129 3HG MET 129 -0.291 -9.042 4.690 1009 1HE MET 129 1HE MET 129 0.938 -11.485 1.779 1010 2HE MET 129 2HE MET 129 1.294 -9.996 2.686 1011 3HE MET 129 3HE MET 129 1.510 -11.586 3.460 Start of MODEL 9 1 1H MET 1 H MET 1 22.321 -17.976 -1.963 2 2H MET 1 2HN MET 1 21.648 -19.088 -2.981 3 3H MET 1 3HN MET 1 21.080 -17.549 -2.946 4 HA MET 1 HA MET 1 19.548 -18.919 -1.808 5 1HB MET 1 2HB MET 1 21.982 -19.627 -0.124 6 2HB MET 1 3HB MET 1 20.321 -19.902 0.405 7 1HG MET 1 2HG MET 1 19.884 -21.370 -1.470 8 2HG MET 1 3HG MET 1 21.495 -21.082 -2.141 9 1HE MET 1 1HE MET 1 23.893 -23.115 0.006 10 2HE MET 1 2HE MET 1 23.550 -22.406 -1.588 11 3HE MET 1 3HE MET 1 23.683 -21.356 -0.167 12 H ALA 2 H ALA 2 18.466 -17.025 -1.404 13 HA ALA 2 HA ALA 2 19.457 -15.286 0.797 14 1HB ALA 2 1HB ALA 2 19.600 -14.299 -1.520 15 2HB ALA 2 2HB ALA 2 17.851 -14.497 -1.677 16 3HB ALA 2 3HB ALA 2 18.524 -13.410 -0.437 17 H ASP 3 H ASP 3 17.002 -13.839 0.749 18 HA ASP 3 HA ASP 3 14.989 -15.702 1.918 19 1HB ASP 3 1HB ASP 3 15.042 -12.665 1.625 20 2HB ASP 3 2HB ASP 3 13.817 -13.596 2.470 21 H LYS 4 H LYS 4 12.613 -14.830 1.073 22 HA LYS 4 HA LYS 4 12.573 -14.808 -1.876 23 1HB LYS 4 1HB LYS 4 10.395 -14.089 0.130 24 2HB LYS 4 2HB LYS 4 10.216 -14.077 -1.612 25 1HG LYS 4 1HG LYS 4 9.608 -16.211 -1.597 26 2HG LYS 4 2HG LYS 4 11.230 -16.645 -1.104 27 1HD LYS 4 1HD LYS 4 9.732 -17.645 0.469 28 2HD LYS 4 2HD LYS 4 10.547 -16.327 1.297 29 1HE LYS 4 1HE LYS 4 8.215 -16.327 1.927 30 2HE LYS 4 2HE LYS 4 8.521 -14.894 0.935 31 1HZ LYS 4 1HZ LYS 4 6.476 -16.012 0.314 32 2HZ LYS 4 2HZ LYS 4 7.516 -16.046 -0.938 33 3HZ LYS 4 3HZ LYS 4 7.247 -17.399 -0.014 34 H GLU 5 H GLU 5 13.271 -12.643 0.653 35 HA GLU 5 HA GLU 5 13.579 -10.452 0.861 36 1HB GLU 5 1HB GLU 5 14.398 -10.608 -2.054 37 2HB GLU 5 2HB GLU 5 14.681 -9.240 -0.961 38 1HG GLU 5 1HG GLU 5 15.914 -10.749 0.595 39 2HG GLU 5 2HG GLU 5 15.722 -12.076 -0.547 40 H LEU 6 H LEU 6 11.297 -10.929 1.149 41 HA LEU 6 HA LEU 6 9.183 -9.856 -0.393 42 1HB LEU 6 1HB LEU 6 8.790 -11.074 1.669 43 2HB LEU 6 2HB LEU 6 9.588 -9.823 2.630 44 HG LEU 6 HG LEU 6 7.510 -8.659 0.890 45 1HD1 LEU 6 1HD1 LEU 6 5.551 -9.582 2.026 46 2HD1 LEU 6 2HD1 LEU 6 6.422 -10.798 1.084 47 3HD1 LEU 6 3HD1 LEU 6 6.579 -10.756 2.863 48 1HD2 LEU 6 1HD2 LEU 6 8.470 -7.505 2.861 49 2HD2 LEU 6 2HD2 LEU 6 6.713 -7.629 2.932 50 3HD2 LEU 6 3HD2 LEU 6 7.714 -8.710 3.924 51 H LYS 7 H LYS 7 9.271 -8.041 -1.304 52 HA LYS 7 HA LYS 7 10.403 -5.644 0.009 53 1HB LYS 7 1HB LYS 7 10.623 -4.521 -2.043 54 2HB LYS 7 2HB LYS 7 11.422 -6.076 -2.153 55 1HG LYS 7 1HG LYS 7 8.655 -5.578 -3.278 56 2HG LYS 7 2HG LYS 7 10.149 -5.233 -4.165 57 1HD LYS 7 1HD LYS 7 10.804 -7.698 -3.625 58 2HD LYS 7 2HD LYS 7 9.091 -7.931 -3.265 59 1HE LYS 7 1HE LYS 7 8.538 -7.147 -5.589 60 2HE LYS 7 2HE LYS 7 10.274 -6.936 -5.895 61 1HZ LYS 7 1HZ LYS 7 10.584 -9.277 -5.455 62 2HZ LYS 7 2HZ LYS 7 8.978 -9.518 -5.229 63 3HZ LYS 7 3HZ LYS 7 9.603 -9.074 -6.715 64 H PHE 8 H PHE 8 9.202 -3.664 -0.833 65 HA PHE 8 HA PHE 8 6.244 -3.947 -0.527 66 1HB PHE 8 1HB PHE 8 8.224 -1.959 0.676 67 2HB PHE 8 2HB PHE 8 6.525 -1.588 0.485 68 HD1 PHE 8 1HD PHE 8 8.630 -4.414 1.979 69 HD2 PHE 8 2HD PHE 8 5.265 -1.773 2.366 70 HE1 PHE 8 1HE PHE 8 7.958 -5.549 4.046 71 HE2 PHE 8 2HE PHE 8 4.557 -2.938 4.419 72 HZ PHE 8 HZ PHE 8 5.911 -4.855 5.274 73 H LEU 9 H LEU 9 5.249 -3.090 -2.374 74 HA LEU 9 HA LEU 9 6.764 -1.102 -3.966 75 1HB LEU 9 1HB LEU 9 5.376 -2.915 -5.177 76 2HB LEU 9 2HB LEU 9 3.958 -2.145 -4.472 77 HG LEU 9 HG LEU 9 4.803 0.057 -5.532 78 1HD1 LEU 9 1HD1 LEU 9 7.126 -0.557 -6.022 79 2HD1 LEU 9 2HD1 LEU 9 6.587 -1.911 -7.042 80 3HD1 LEU 9 3HD1 LEU 9 6.271 -0.231 -7.523 81 1HD2 LEU 9 1HD2 LEU 9 4.047 -2.226 -7.390 82 2HD2 LEU 9 2HD2 LEU 9 2.922 -1.208 -6.453 83 3HD2 LEU 9 3HD2 LEU 9 3.898 -0.490 -7.725 84 H VAL 10 H VAL 10 6.303 1.018 -3.576 85 HA VAL 10 HA VAL 10 3.969 1.715 -1.849 86 HB VAL 10 HB VAL 10 6.784 2.854 -1.552 87 1HG1 VAL 10 1HG1 VAL 10 5.864 3.797 0.550 88 2HG1 VAL 10 2HG1 VAL 10 4.936 4.353 -0.850 89 3HG1 VAL 10 3HG1 VAL 10 4.283 3.084 0.186 90 1HG2 VAL 10 1HG2 VAL 10 5.414 0.782 0.211 91 2HG2 VAL 10 2HG2 VAL 10 6.887 0.546 -0.760 92 3HG2 VAL 10 3HG2 VAL 10 6.912 1.652 0.610 93 H VAL 11 H VAL 11 2.758 2.488 -3.556 94 HA VAL 11 HA VAL 11 3.961 4.472 -5.411 95 HB VAL 11 HB VAL 11 1.207 3.233 -5.688 96 1HG1 VAL 11 1HG1 VAL 11 3.220 4.311 -7.728 97 2HG1 VAL 11 2HG1 VAL 11 1.625 3.644 -8.096 98 3HG1 VAL 11 3HG1 VAL 11 1.765 5.150 -7.183 99 1HG2 VAL 11 1HG2 VAL 11 3.873 2.042 -6.545 100 2HG2 VAL 11 2HG2 VAL 11 2.625 1.296 -5.508 101 3HG2 VAL 11 3HG2 VAL 11 2.311 1.560 -7.204 102 H ASP 12 H ASP 12 3.975 5.460 -3.056 103 HA ASP 12 HA ASP 12 1.601 6.924 -2.187 104 1HB ASP 12 1HB ASP 12 4.472 6.666 -1.409 105 2HB ASP 12 2HB ASP 12 3.738 8.242 -1.127 106 H ASP 13 H ASP 13 0.862 8.222 -3.795 107 HA ASP 13 HA ASP 13 2.035 9.336 -5.983 108 1HB ASP 13 1HB ASP 13 -0.324 9.492 -5.757 109 2HB ASP 13 2HB ASP 13 -0.206 10.337 -4.205 110 H PHE 14 H PHE 14 2.032 10.782 -2.754 111 HA PHE 14 HA PHE 14 3.569 13.137 -3.657 112 1HB PHE 14 1HB PHE 14 1.710 13.465 -2.099 113 2HB PHE 14 2HB PHE 14 2.359 12.288 -1.003 114 HD1 PHE 14 1HD PHE 14 2.339 13.769 0.890 115 HD2 PHE 14 2HD PHE 14 4.516 14.912 -2.662 116 HE1 PHE 14 1HE PHE 14 3.390 15.617 2.119 117 HE2 PHE 14 2HE PHE 14 5.561 16.757 -1.429 118 HZ PHE 14 HZ PHE 14 4.992 17.155 0.965 119 H SER 15 H SER 15 5.758 12.828 -3.833 120 HA SER 15 HA SER 15 7.134 10.595 -3.166 121 1HB SER 15 1HB SER 15 7.812 12.635 -4.619 122 2HB SER 15 2HB SER 15 8.479 13.321 -3.140 123 HG SER 15 HG SER 15 9.239 11.054 -4.638 124 H THR 16 H THR 16 7.102 13.584 -1.099 125 HA THR 16 HA THR 16 8.673 12.671 1.021 126 HB THR 16 HB THR 16 6.164 14.380 1.134 127 HG1 THR 16 1HG THR 16 7.330 15.989 0.502 128 1HG2 THR 16 1HG2 THR 16 6.812 13.817 3.396 129 2HG2 THR 16 2HG2 THR 16 8.516 14.186 3.065 130 3HG2 THR 16 3HG2 THR 16 7.287 15.478 3.091 131 H MET 17 H MET 17 5.247 11.881 0.288 132 HA MET 17 HA MET 17 4.666 10.705 2.847 133 1HB MET 17 1HB MET 17 3.217 11.647 0.819 134 2HB MET 17 2HB MET 17 3.211 9.956 0.336 135 1HG MET 17 1HG MET 17 2.085 9.376 2.386 136 2HG MET 17 2HG MET 17 2.435 10.967 3.092 137 1HE MET 17 1HE MET 17 1.121 10.058 -0.523 138 2HE MET 17 2HE MET 17 0.325 8.906 0.566 139 3HE MET 17 3HE MET 17 -0.621 10.164 -0.261 140 H ARG 18 H ARG 18 6.061 9.510 -0.290 141 HA ARG 18 HA ARG 18 5.996 6.736 0.539 142 1HB ARG 18 1HB ARG 18 6.377 7.617 -1.864 143 2HB ARG 18 2HB ARG 18 8.013 8.019 -1.393 144 1HG ARG 18 1HG ARG 18 7.248 5.237 -0.666 145 2HG ARG 18 2HG ARG 18 7.097 5.581 -2.377 146 1HD ARG 18 1HD ARG 18 9.233 4.623 -1.996 147 2HD ARG 18 2HD ARG 18 9.468 6.323 -2.440 148 HE ARG 18 HE ARG 18 9.382 5.933 0.410 149 1HH1 ARG 18 2HH2 ARG 18 11.474 5.220 -2.369 150 2HH1 ARG 18 1HH2 ARG 18 12.975 5.454 -1.544 151 1HH2 ARG 18 2HH1 ARG 18 11.413 6.213 1.588 152 2HH2 ARG 18 1HH1 ARG 18 12.920 5.915 0.793 153 H ARG 19 H ARG 19 8.276 9.403 0.787 154 HA ARG 19 HA ARG 19 10.527 7.978 1.813 155 1HB ARG 19 1HB ARG 19 9.704 10.860 2.316 156 2HB ARG 19 2HB ARG 19 11.253 10.158 2.714 157 1HG ARG 19 1HG ARG 19 10.302 9.929 -0.154 158 2HG ARG 19 2HG ARG 19 10.810 11.511 0.425 159 1HD ARG 19 1HD ARG 19 12.466 8.983 0.660 160 2HD ARG 19 2HD ARG 19 12.630 10.198 -0.633 161 HE ARG 19 HE ARG 19 12.838 11.763 1.499 162 1HH1 ARG 19 2HH2 ARG 19 14.602 8.776 0.747 163 2HH1 ARG 19 1HH2 ARG 19 15.849 9.026 1.928 164 1HH2 ARG 19 2HH1 ARG 19 14.531 12.200 2.944 165 2HH2 ARG 19 1HH1 ARG 19 15.804 11.057 3.209 166 H ILE 20 H ILE 20 8.014 9.826 3.552 167 HA ILE 20 HA ILE 20 8.604 9.067 6.175 168 HB ILE 20 HB ILE 20 6.224 10.146 4.694 169 1HG1 ILE 20 1HG1 ILE 20 6.339 11.901 6.407 170 2HG1 ILE 20 2HG1 ILE 20 7.539 10.984 7.312 171 1HG2 ILE 20 1HG2 ILE 20 6.030 9.021 7.500 172 2HG2 ILE 20 2HG2 ILE 20 4.860 10.150 6.776 173 3HG2 ILE 20 3HG2 ILE 20 5.079 8.563 6.066 174 1HD1 ILE 20 1HD1 ILE 20 7.966 12.302 4.612 175 2HD1 ILE 20 2HD1 ILE 20 8.539 12.893 6.163 176 3HD1 ILE 20 3HD1 ILE 20 9.190 11.379 5.504 177 H VAL 21 H VAL 21 6.104 7.436 4.045 178 HA VAL 21 HA VAL 21 5.542 5.349 5.729 179 HB VAL 21 HB VAL 21 5.747 5.395 2.674 180 1HG1 VAL 21 1HG1 VAL 21 4.566 3.191 4.426 181 2HG1 VAL 21 2HG1 VAL 21 4.198 3.406 2.699 182 3HG1 VAL 21 3HG1 VAL 21 5.846 3.037 3.193 183 1HG2 VAL 21 1HG2 VAL 21 4.043 6.865 3.747 184 2HG2 VAL 21 2HG2 VAL 21 3.330 5.605 2.763 185 3HG2 VAL 21 3HG2 VAL 21 3.333 5.431 4.529 186 H ARG 22 H ARG 22 8.252 5.321 3.309 187 HA ARG 22 HA ARG 22 9.102 2.689 3.958 188 1HB ARG 22 1HB ARG 22 9.861 4.013 1.986 189 2HB ARG 22 2HB ARG 22 10.894 4.985 3.045 190 1HG ARG 22 1HG ARG 22 11.151 1.974 3.107 191 2HG ARG 22 2HG ARG 22 11.761 2.866 1.714 192 1HD ARG 22 1HD ARG 22 13.292 4.130 3.109 193 2HD ARG 22 2HD ARG 22 12.687 3.318 4.553 194 HE ARG 22 HE ARG 22 14.087 1.597 4.152 195 1HH1 ARG 22 2HH2 ARG 22 13.885 3.325 1.084 196 2HH1 ARG 22 1HH2 ARG 22 14.515 2.061 0.105 197 1HH2 ARG 22 2HH1 ARG 22 15.367 0.121 3.002 198 2HH2 ARG 22 1HH1 ARG 22 15.392 0.145 1.256 199 H ASN 23 H ASN 23 9.912 5.825 5.460 200 HA ASN 23 HA ASN 23 12.029 4.812 7.140 201 1HB ASN 23 1HB ASN 23 11.754 7.209 6.624 202 2HB ASN 23 2HB ASN 23 10.240 7.239 7.530 203 1HD2 ASN 23 1HD2 ASN 23 13.783 6.694 7.832 204 2HD2 ASN 23 2HD2 ASN 23 13.824 6.985 9.570 205 H LEU 24 H LEU 24 8.565 5.528 7.740 206 HA LEU 24 HA LEU 24 8.409 4.561 10.399 207 1HB LEU 24 1HB LEU 24 6.283 4.488 8.233 208 2HB LEU 24 2HB LEU 24 5.988 4.343 9.960 209 HG LEU 24 HG LEU 24 7.143 6.841 8.641 210 1HD1 LEU 24 1HD1 LEU 24 4.819 7.710 8.947 211 2HD1 LEU 24 2HD1 LEU 24 4.965 6.394 7.775 212 3HD1 LEU 24 3HD1 LEU 24 4.313 6.058 9.386 213 1HD2 LEU 24 1HD2 LEU 24 6.173 6.390 11.465 214 2HD2 LEU 24 2HD2 LEU 24 7.807 6.793 10.938 215 3HD2 LEU 24 3HD2 LEU 24 6.509 7.973 10.735 216 H LEU 25 H LEU 25 8.117 2.827 7.291 217 HA LEU 25 HA LEU 25 7.476 0.262 8.354 218 1HB LEU 25 1HB LEU 25 8.740 1.286 5.818 219 2HB LEU 25 2HB LEU 25 8.942 -0.418 6.186 220 HG LEU 25 HG LEU 25 6.192 0.866 6.317 221 1HD1 LEU 25 1HD1 LEU 25 7.098 1.358 4.078 222 2HD1 LEU 25 2HD1 LEU 25 7.452 -0.369 3.836 223 3HD1 LEU 25 3HD1 LEU 25 5.770 0.191 4.014 224 1HD2 LEU 25 1HD2 LEU 25 7.115 -1.979 5.695 225 2HD2 LEU 25 2HD2 LEU 25 6.572 -1.440 7.286 226 3HD2 LEU 25 3HD2 LEU 25 5.439 -1.426 5.921 227 H LYS 26 H LYS 26 10.738 1.538 7.415 228 HA LYS 26 HA LYS 26 11.964 -0.758 8.596 229 1HB LYS 26 1HB LYS 26 14.069 0.142 8.027 230 2HB LYS 26 2HB LYS 26 12.921 0.344 6.737 231 1HG LYS 26 1HG LYS 26 14.045 2.340 6.653 232 2HG LYS 26 2HG LYS 26 12.595 2.752 7.535 233 1HD LYS 26 1HD LYS 26 14.497 3.864 8.544 234 2HD LYS 26 2HD LYS 26 13.877 2.665 9.682 235 1HE LYS 26 1HE LYS 26 15.636 1.058 8.881 236 2HE LYS 26 2HE LYS 26 16.278 2.306 7.808 237 1HZ LYS 26 1HZ LYS 26 16.064 2.627 10.733 238 2HZ LYS 26 2HZ LYS 26 17.398 2.016 9.985 239 3HZ LYS 26 3HZ LYS 26 16.905 3.576 9.692 240 H GLU 27 H GLU 27 10.823 2.054 10.215 241 HA GLU 27 HA GLU 27 12.300 1.733 12.682 242 1HB GLU 27 1HB GLU 27 9.496 2.751 12.121 243 2HB GLU 27 2HB GLU 27 10.332 2.952 13.642 244 1HG GLU 27 1HG GLU 27 11.744 3.988 11.206 245 2HG GLU 27 2HG GLU 27 10.278 4.801 11.743 246 H LEU 28 H LEU 28 10.046 -0.243 11.152 247 HA LEU 28 HA LEU 28 9.465 -1.923 13.532 248 1HB LEU 28 1HB LEU 28 7.884 -1.649 10.953 249 2HB LEU 28 2HB LEU 28 7.423 -2.592 12.353 250 HG LEU 28 HG LEU 28 7.712 0.443 12.431 251 1HD1 LEU 28 1HD1 LEU 28 5.236 0.444 12.289 252 2HD1 LEU 28 2HD1 LEU 28 6.030 -0.117 10.813 253 3HD1 LEU 28 3HD1 LEU 28 5.273 -1.296 11.916 254 1HD2 LEU 28 1HD2 LEU 28 7.871 -0.580 14.626 255 2HD2 LEU 28 2HD2 LEU 28 6.292 0.190 14.475 256 3HD2 LEU 28 3HD2 LEU 28 6.430 -1.575 14.329 257 H GLY 29 H GLY 29 11.563 -1.907 11.034 258 1HA GLY 29 1HA GLY 29 12.844 -3.699 10.154 259 2HA GLY 29 2HA GLY 29 11.612 -4.852 10.690 260 H PHE 30 H PHE 30 11.199 -5.773 8.602 261 HA PHE 30 HA PHE 30 10.378 -5.916 6.456 262 1HB PHE 30 1HB PHE 30 8.487 -3.874 7.669 263 2HB PHE 30 2HB PHE 30 8.199 -4.715 6.165 264 HD1 PHE 30 1HD PHE 30 8.574 -7.398 6.287 265 HD2 PHE 30 2HD PHE 30 7.423 -4.827 9.560 266 HE1 PHE 30 1HE PHE 30 7.626 -9.348 7.480 267 HE2 PHE 30 2HE PHE 30 6.445 -6.792 10.731 268 HZ PHE 30 HZ PHE 30 6.564 -9.050 9.703 269 H ASN 31 H ASN 31 12.624 -4.363 6.488 270 HA ASN 31 HA ASN 31 12.283 -1.973 4.874 271 1HB ASN 31 1HB ASN 31 14.588 -1.810 4.840 272 2HB ASN 31 2HB ASN 31 14.381 -2.729 6.319 273 1HD2 ASN 31 1HD2 ASN 31 14.379 -5.291 5.842 274 2HD2 ASN 31 2HD2 ASN 31 15.602 -5.852 4.743 275 H ASN 32 H ASN 32 13.306 -1.824 2.707 276 HA ASN 32 HA ASN 32 14.169 -2.544 0.711 277 1HB ASN 32 1HB ASN 32 14.264 -4.960 1.641 278 2HB ASN 32 2HB ASN 32 12.725 -5.203 0.812 279 1HD2 ASN 32 1HD2 ASN 32 15.190 -6.597 0.264 280 2HD2 ASN 32 2HD2 ASN 32 15.616 -6.249 -1.384 281 H VAL 33 H VAL 33 12.981 -0.963 -0.462 282 HA VAL 33 HA VAL 33 10.207 -1.706 -1.090 283 HB VAL 33 HB VAL 33 9.187 0.171 -0.378 284 1HG1 VAL 33 1HG1 VAL 33 9.667 0.621 1.921 285 2HG1 VAL 33 2HG1 VAL 33 10.046 -1.077 1.633 286 3HG1 VAL 33 3HG1 VAL 33 11.366 0.102 1.743 287 1HG2 VAL 33 1HG2 VAL 33 11.801 1.705 -0.253 288 2HG2 VAL 33 2HG2 VAL 33 10.504 1.896 -1.445 289 3HG2 VAL 33 3HG2 VAL 33 10.182 2.332 0.215 290 H GLU 34 H GLU 34 9.335 -0.600 -2.928 291 HA GLU 34 HA GLU 34 11.170 0.919 -4.649 292 1HB GLU 34 1HB GLU 34 9.341 -1.353 -5.556 293 2HB GLU 34 2HB GLU 34 10.165 -0.239 -6.623 294 1HG GLU 34 1HG GLU 34 11.340 -2.440 -4.892 295 2HG GLU 34 2HG GLU 34 11.358 -2.320 -6.642 296 H GLU 35 H GLU 35 9.644 1.872 -6.435 297 HA GLU 35 HA GLU 35 6.914 2.424 -5.448 298 1HB GLU 35 1HB GLU 35 8.459 4.555 -6.947 299 2HB GLU 35 2HB GLU 35 6.981 4.682 -6.020 300 1HG GLU 35 1HG GLU 35 8.575 5.769 -4.703 301 2HG GLU 35 2HG GLU 35 8.357 4.190 -3.938 302 H ALA 36 H ALA 36 5.658 3.278 -7.344 303 HA ALA 36 HA ALA 36 6.618 2.456 -9.993 304 1HB ALA 36 1HB ALA 36 3.739 2.300 -8.985 305 2HB ALA 36 2HB ALA 36 4.297 1.983 -10.622 306 3HB ALA 36 3HB ALA 36 4.795 0.901 -9.324 307 H GLU 37 H GLU 37 5.524 4.024 -11.602 308 HA GLU 37 HA GLU 37 5.763 6.690 -10.475 309 1HB GLU 37 1HB GLU 37 5.159 7.561 -12.648 310 2HB GLU 37 2HB GLU 37 6.480 6.395 -12.743 311 1HG GLU 37 1HG GLU 37 5.145 4.785 -13.795 312 2HG GLU 37 2HG GLU 37 3.618 5.528 -13.265 313 H ASP 38 H ASP 38 2.987 4.515 -10.955 314 HA ASP 38 HA ASP 38 1.220 5.950 -9.379 315 1HB ASP 38 1HB ASP 38 1.396 7.080 -12.070 316 2HB ASP 38 2HB ASP 38 -0.144 6.307 -11.884 317 H GLY 39 H GLY 39 -1.132 4.933 -9.832 318 1HA GLY 39 1HA GLY 39 -1.028 2.308 -9.443 319 2HA GLY 39 2HA GLY 39 -2.447 3.101 -10.101 320 H VAL 40 H VAL 40 -1.411 3.657 -12.769 321 HA VAL 40 HA VAL 40 -1.908 1.183 -14.088 322 HB VAL 40 HB VAL 40 -0.486 3.700 -15.073 323 1HG1 VAL 40 1HG1 VAL 40 -1.089 3.009 -17.331 324 2HG1 VAL 40 2HG1 VAL 40 -0.042 1.794 -16.612 325 3HG1 VAL 40 3HG1 VAL 40 -1.799 1.498 -16.724 326 1HG2 VAL 40 1HG2 VAL 40 -3.395 2.859 -15.461 327 2HG2 VAL 40 2HG2 VAL 40 -2.837 4.085 -14.296 328 3HG2 VAL 40 3HG2 VAL 40 -2.629 4.350 -16.027 329 H ASP 41 H ASP 41 1.125 2.799 -13.157 330 HA ASP 41 HA ASP 41 2.882 0.842 -14.412 331 1HB ASP 41 1HB ASP 41 3.404 3.289 -14.079 332 2HB ASP 41 2HB ASP 41 3.449 3.016 -12.367 333 H ALA 42 H ALA 42 1.354 1.393 -11.231 334 HA ALA 42 HA ALA 42 2.932 -0.358 -9.684 335 1HB ALA 42 1HB ALA 42 1.112 1.328 -8.944 336 2HB ALA 42 2HB ALA 42 -0.054 0.074 -9.351 337 3HB ALA 42 3HB ALA 42 1.143 -0.250 -8.099 338 H LEU 43 H LEU 43 -0.046 -0.915 -11.600 339 HA LEU 43 HA LEU 43 -0.171 -3.713 -11.037 340 1HB LEU 43 1HB LEU 43 -2.006 -2.306 -12.161 341 2HB LEU 43 2HB LEU 43 -1.044 -2.395 -13.636 342 HG LEU 43 HG LEU 43 -1.080 -5.019 -13.196 343 1HD1 LEU 43 1HD1 LEU 43 -3.488 -4.153 -11.572 344 2HD1 LEU 43 2HD1 LEU 43 -3.061 -5.825 -12.037 345 3HD1 LEU 43 3HD1 LEU 43 -2.027 -4.925 -10.931 346 1HD2 LEU 43 1HD2 LEU 43 -3.485 -3.442 -14.143 347 2HD2 LEU 43 2HD2 LEU 43 -2.119 -4.011 -15.106 348 3HD2 LEU 43 3HD2 LEU 43 -3.242 -5.190 -14.417 349 H ASN 44 H ASN 44 1.478 -1.883 -13.678 350 HA ASN 44 HA ASN 44 2.521 -4.158 -15.012 351 1HB ASN 44 1HB ASN 44 2.618 -1.909 -15.992 352 2HB ASN 44 2HB ASN 44 3.783 -1.398 -14.762 353 1HD2 ASN 44 1HD2 ASN 44 3.316 -3.853 -17.395 354 2HD2 ASN 44 2HD2 ASN 44 5.019 -4.023 -17.706 355 H LYS 45 H LYS 45 3.943 -2.277 -12.303 356 HA LYS 45 HA LYS 45 6.314 -3.755 -11.978 357 1HB LYS 45 1HB LYS 45 4.647 -2.001 -10.212 358 2HB LYS 45 2HB LYS 45 5.585 -3.217 -9.357 359 1HG LYS 45 1HG LYS 45 6.913 -1.261 -9.432 360 2HG LYS 45 2HG LYS 45 7.653 -2.446 -10.496 361 1HD LYS 45 1HD LYS 45 6.613 -1.279 -12.453 362 2HD LYS 45 2HD LYS 45 5.927 -0.077 -11.338 363 1HE LYS 45 1HE LYS 45 8.174 0.572 -10.589 364 2HE LYS 45 2HE LYS 45 8.899 -0.690 -11.606 365 1HZ LYS 45 1HZ LYS 45 7.946 0.456 -13.529 366 2HZ LYS 45 2HZ LYS 45 7.376 1.646 -12.582 367 3HZ LYS 45 3HZ LYS 45 9.024 1.411 -12.708 368 H LEU 46 H LEU 46 3.076 -4.392 -10.550 369 HA LEU 46 HA LEU 46 3.946 -6.752 -9.182 370 1HB LEU 46 1HB LEU 46 1.315 -5.412 -9.780 371 2HB LEU 46 2HB LEU 46 1.239 -7.128 -9.440 372 HG LEU 46 HG LEU 46 0.868 -5.779 -7.438 373 1HD1 LEU 46 1HD1 LEU 46 2.373 -7.017 -5.941 374 2HD1 LEU 46 2HD1 LEU 46 1.724 -8.039 -7.234 375 3HD1 LEU 46 3HD1 LEU 46 3.397 -7.465 -7.301 376 1HD2 LEU 46 1HD2 LEU 46 2.755 -4.573 -6.352 377 2HD2 LEU 46 2HD2 LEU 46 3.734 -4.801 -7.792 378 3HD2 LEU 46 3HD2 LEU 46 2.238 -3.842 -7.862 379 H GLN 47 H GLN 47 2.581 -6.275 -12.409 380 HA GLN 47 HA GLN 47 2.416 -9.103 -13.026 381 1HB GLN 47 1HB GLN 47 2.425 -6.577 -14.727 382 2HB GLN 47 2HB GLN 47 2.270 -8.207 -15.393 383 1HG GLN 47 1HG GLN 47 0.316 -8.618 -13.906 384 2HG GLN 47 2HG GLN 47 0.364 -6.944 -13.374 385 1HE2 GLN 47 1HE2 GLN 47 -1.969 -7.902 -14.480 386 2HE2 GLN 47 2HE2 GLN 47 -2.153 -7.322 -16.132 387 H ALA 48 H ALA 48 5.118 -7.244 -12.362 388 HA ALA 48 HA ALA 48 6.877 -9.062 -13.892 389 1HB ALA 48 1HB ALA 48 6.877 -6.816 -14.812 390 2HB ALA 48 2HB ALA 48 7.228 -6.121 -13.227 391 3HB ALA 48 3HB ALA 48 8.434 -7.156 -14.024 392 H GLY 49 H GLY 49 5.709 -8.874 -10.810 393 1HA GLY 49 1HA GLY 49 7.668 -10.538 -9.869 394 2HA GLY 49 2HA GLY 49 8.221 -8.932 -9.370 395 H GLY 50 H GLY 50 7.626 -10.954 -7.525 396 1HA GLY 50 1HA GLY 50 4.972 -10.512 -6.394 397 2HA GLY 50 2HA GLY 50 6.277 -11.540 -5.778 398 H TYR 51 H TYR 51 5.226 -8.149 -6.048 399 HA TYR 51 HA TYR 51 6.995 -7.177 -3.911 400 1HB TYR 51 1HB TYR 51 4.568 -5.923 -5.261 401 2HB TYR 51 2HB TYR 51 5.566 -5.140 -4.042 402 HD1 TYR 51 1HD TYR 51 5.609 -6.590 -7.482 403 HD2 TYR 51 2HD TYR 51 7.671 -4.070 -4.655 404 HE1 TYR 51 1HE TYR 51 7.407 -6.261 -9.112 405 HE2 TYR 51 2HE TYR 51 9.460 -3.684 -6.318 406 HH TYR 51 HH TYR 51 10.458 -4.726 -8.322 407 H GLY 52 H GLY 52 6.573 -7.542 -1.704 408 1HA GLY 52 1HA GLY 52 4.403 -9.417 -1.230 409 2HA GLY 52 2HA GLY 52 5.572 -8.806 -0.067 410 H PHE 53 H PHE 53 4.709 -5.986 -0.960 411 HA PHE 53 HA PHE 53 1.987 -5.724 0.146 412 1HB PHE 53 1HB PHE 53 4.497 -4.217 0.970 413 2HB PHE 53 2HB PHE 53 2.922 -3.460 1.049 414 HD1 PHE 53 1HD PHE 53 4.651 -6.602 2.217 415 HD2 PHE 53 2HD PHE 53 1.779 -3.490 3.050 416 HE1 PHE 53 1HE PHE 53 4.329 -7.513 4.494 417 HE2 PHE 53 2HE PHE 53 1.548 -4.327 5.350 418 HZ PHE 53 HZ PHE 53 2.803 -6.399 6.067 419 H VAL 54 H VAL 54 0.919 -3.970 -0.876 420 HA VAL 54 HA VAL 54 2.350 -2.562 -3.048 421 HB VAL 54 HB VAL 54 -0.287 -4.045 -3.432 422 1HG1 VAL 54 1HG1 VAL 54 0.188 -3.669 -5.846 423 2HG1 VAL 54 2HG1 VAL 54 0.011 -2.138 -4.981 424 3HG1 VAL 54 3HG1 VAL 54 1.630 -2.750 -5.418 425 1HG2 VAL 54 1HG2 VAL 54 2.551 -4.865 -4.150 426 2HG2 VAL 54 2HG2 VAL 54 1.346 -5.775 -3.222 427 3HG2 VAL 54 3HG2 VAL 54 1.118 -5.516 -4.949 428 H ILE 55 H ILE 55 2.353 -0.936 -1.446 429 HA ILE 55 HA ILE 55 -0.187 0.105 -0.353 430 HB ILE 55 HB ILE 55 2.801 0.637 -0.034 431 1HG1 ILE 55 1HG1 ILE 55 0.915 0.359 2.300 432 2HG1 ILE 55 2HG1 ILE 55 1.132 -1.086 1.309 433 1HG2 ILE 55 1HG2 ILE 55 1.892 2.875 -0.068 434 2HG2 ILE 55 2HG2 ILE 55 0.523 2.393 0.934 435 3HG2 ILE 55 3HG2 ILE 55 2.165 2.454 1.621 436 1HD1 ILE 55 1HD1 ILE 55 2.698 -1.150 3.157 437 2HD1 ILE 55 2HD1 ILE 55 3.530 -1.007 1.603 438 3HD1 ILE 55 3HD1 ILE 55 3.397 0.407 2.680 439 H SER 56 H SER 56 -1.105 2.125 -1.158 440 HA SER 56 HA SER 56 0.506 3.645 -3.016 441 1HB SER 56 1HB SER 56 -1.027 3.636 -4.874 442 2HB SER 56 2HB SER 56 -0.609 1.955 -4.518 443 HG SER 56 HG SER 56 -2.972 3.396 -3.972 444 H ASP 57 H ASP 57 -0.481 5.706 -3.533 445 HA ASP 57 HA ASP 57 -2.376 6.799 -1.558 446 1HB ASP 57 1HB ASP 57 -0.601 8.200 -2.621 447 2HB ASP 57 2HB ASP 57 -1.378 7.952 -4.192 448 H TRP 58 H TRP 58 -4.285 8.018 -2.949 449 HA TRP 58 HA TRP 58 -5.852 5.970 -4.349 450 1HB TRP 58 1HB TRP 58 -6.846 7.594 -2.685 451 2HB TRP 58 2HB TRP 58 -6.465 8.912 -3.774 452 HD1 TRP 58 HD TRP 58 -7.844 8.910 -6.141 453 HE1 TRP 58 1HE TRP 58 -10.096 7.920 -6.817 454 HE3 TRP 58 3HE TRP 58 -8.521 5.775 -2.169 455 HZ2 TRP 58 2HZ TRP 58 -11.980 6.000 -5.746 456 HZ3 TRP 58 3HZ TRP 58 -10.556 4.340 -2.019 457 HH2 TRP 58 HH TRP 58 -12.276 4.459 -3.830 458 H ASN 59 H ASN 59 -4.888 9.337 -5.028 459 HA ASN 59 HA ASN 59 -5.018 10.524 -6.939 460 1HB ASN 59 1HB ASN 59 -2.651 9.829 -6.660 461 2HB ASN 59 2HB ASN 59 -2.928 8.508 -7.800 462 1HD2 ASN 59 1HD2 ASN 59 -1.355 9.330 -9.283 463 2HD2 ASN 59 2HD2 ASN 59 -1.567 10.805 -10.165 464 H MET 60 H MET 60 -5.044 10.297 -9.627 465 HA MET 60 HA MET 60 -6.683 7.982 -10.412 466 1HB MET 60 1HB MET 60 -7.689 10.813 -10.724 467 2HB MET 60 2HB MET 60 -8.410 9.381 -11.477 468 1HG MET 60 1HG MET 60 -8.850 8.432 -9.240 469 2HG MET 60 2HG MET 60 -8.185 9.871 -8.480 470 1HE MET 60 1HE MET 60 -9.681 11.652 -7.496 471 2HE MET 60 2HE MET 60 -9.201 12.343 -9.059 472 3HE MET 60 3HE MET 60 -10.889 12.455 -8.528 473 HA PRO 61 HA PRO 61 -3.640 9.227 -13.692 474 1HB PRO 61 1HB PRO 61 -1.811 7.303 -13.484 475 2HB PRO 61 2HB PRO 61 -1.946 8.522 -12.185 476 1HG PRO 61 1HG PRO 61 -3.260 5.775 -12.234 477 2HG PRO 61 2HG PRO 61 -2.179 6.416 -10.973 478 1HD PRO 61 1HD PRO 61 -4.863 6.653 -10.804 479 2HD PRO 61 2HD PRO 61 -3.760 7.917 -10.186 480 H ASN 62 H ASN 62 -6.195 8.193 -14.241 481 HA ASN 62 HA ASN 62 -7.473 6.794 -15.491 482 1HB ASN 62 1HB ASN 62 -5.443 6.459 -17.078 483 2HB ASN 62 2HB ASN 62 -5.186 4.948 -16.277 484 1HD2 ASN 62 1HD2 ASN 62 -7.911 3.859 -15.888 485 2HD2 ASN 62 2HD2 ASN 62 -8.597 3.823 -17.481 486 H MET 63 H MET 63 -4.970 4.517 -14.371 487 HA MET 63 HA MET 63 -7.017 2.984 -12.886 488 1HB MET 63 1HB MET 63 -5.306 1.814 -14.254 489 2HB MET 63 2HB MET 63 -4.050 2.389 -13.144 490 1HG MET 63 1HG MET 63 -5.068 1.220 -11.287 491 2HG MET 63 2HG MET 63 -6.460 0.762 -12.266 492 1HE MET 63 1HE MET 63 -5.214 -2.050 -14.564 493 2HE MET 63 2HE MET 63 -6.593 -1.134 -13.924 494 3HE MET 63 3HE MET 63 -5.406 -0.341 -14.988 495 H ASP 64 H ASP 64 -7.574 4.651 -11.531 496 HA ASP 64 HA ASP 64 -5.966 5.787 -9.449 497 1HB ASP 64 1HB ASP 64 -7.998 6.348 -8.417 498 2HB ASP 64 2HB ASP 64 -8.230 6.529 -10.152 499 H GLY 65 H GLY 65 -5.922 5.198 -7.204 500 1HA GLY 65 1HA GLY 65 -4.792 2.721 -6.848 501 2HA GLY 65 2HA GLY 65 -5.374 3.758 -5.545 502 H LEU 66 H LEU 66 -8.231 3.392 -6.798 503 HA LEU 66 HA LEU 66 -9.000 1.060 -5.215 504 1HB LEU 66 1HB LEU 66 -10.258 3.406 -5.717 505 2HB LEU 66 2HB LEU 66 -10.874 2.513 -7.097 506 HG LEU 66 HG LEU 66 -12.371 2.542 -5.222 507 1HD1 LEU 66 1HD1 LEU 66 -12.460 0.616 -6.774 508 2HD1 LEU 66 2HD1 LEU 66 -11.439 -0.305 -5.644 509 3HD1 LEU 66 3HD1 LEU 66 -13.051 0.256 -5.140 510 1HD2 LEU 66 1HD2 LEU 66 -10.788 0.646 -3.569 511 2HD2 LEU 66 2HD2 LEU 66 -10.237 2.333 -3.579 512 3HD2 LEU 66 3HD2 LEU 66 -11.890 1.967 -3.124 513 H GLU 67 H GLU 67 -8.917 2.134 -8.633 514 HA GLU 67 HA GLU 67 -9.878 -0.365 -9.681 515 1HB GLU 67 1HB GLU 67 -8.203 1.793 -11.023 516 2HB GLU 67 2HB GLU 67 -8.916 0.421 -11.862 517 1HG GLU 67 1HG GLU 67 -10.433 2.612 -10.408 518 2HG GLU 67 2HG GLU 67 -10.234 2.454 -12.148 519 H LEU 68 H LEU 68 -6.587 0.862 -8.992 520 HA LEU 68 HA LEU 68 -5.119 -1.400 -9.952 521 1HB LEU 68 1HB LEU 68 -3.953 0.634 -9.215 522 2HB LEU 68 2HB LEU 68 -4.622 0.474 -7.594 523 HG LEU 68 HG LEU 68 -3.320 -1.686 -7.290 524 1HD1 LEU 68 1HD1 LEU 68 -1.410 -2.068 -8.871 525 2HD1 LEU 68 2HD1 LEU 68 -2.994 -2.385 -9.590 526 3HD1 LEU 68 3HD1 LEU 68 -2.142 -0.887 -9.976 527 1HD2 LEU 68 1HD2 LEU 68 -1.748 0.833 -7.905 528 2HD2 LEU 68 2HD2 LEU 68 -2.516 0.403 -6.370 529 3HD2 LEU 68 3HD2 LEU 68 -1.162 -0.562 -6.962 530 H LEU 69 H LEU 69 -6.458 -0.718 -6.663 531 HA LEU 69 HA LEU 69 -5.854 -3.168 -5.448 532 1HB LEU 69 1HB LEU 69 -6.657 -1.705 -3.932 533 2HB LEU 69 2HB LEU 69 -7.850 -1.018 -5.013 534 HG LEU 69 HG LEU 69 -9.449 -2.697 -4.599 535 1HD1 LEU 69 1HD1 LEU 69 -7.970 -4.114 -2.388 536 2HD1 LEU 69 2HD1 LEU 69 -9.330 -4.643 -3.368 537 3HD1 LEU 69 3HD1 LEU 69 -7.695 -4.663 -4.034 538 1HD2 LEU 69 1HD2 LEU 69 -9.316 -0.853 -2.985 539 2HD2 LEU 69 2HD2 LEU 69 -9.702 -2.328 -2.081 540 3HD2 LEU 69 3HD2 LEU 69 -8.049 -1.688 -2.098 541 H LYS 70 H LYS 70 -8.865 -2.328 -7.295 542 HA LYS 70 HA LYS 70 -9.860 -5.012 -7.057 543 1HB LYS 70 1HB LYS 70 -10.575 -2.770 -8.975 544 2HB LYS 70 2HB LYS 70 -11.403 -4.341 -8.922 545 1HG LYS 70 1HG LYS 70 -11.843 -3.993 -6.478 546 2HG LYS 70 2HG LYS 70 -11.185 -2.359 -6.601 547 1HD LYS 70 1HD LYS 70 -12.947 -1.649 -8.076 548 2HD LYS 70 2HD LYS 70 -13.380 -3.329 -8.446 549 1HE LYS 70 1HE LYS 70 -14.007 -3.624 -6.011 550 2HE LYS 70 2HE LYS 70 -13.907 -1.851 -5.857 551 1HZ LYS 70 1HZ LYS 70 -15.584 -3.181 -7.891 552 2HZ LYS 70 2HZ LYS 70 -16.145 -2.843 -6.395 553 3HZ LYS 70 3HZ LYS 70 -15.654 -1.609 -7.379 554 H THR 71 H THR 71 -7.651 -3.672 -9.487 555 HA THR 71 HA THR 71 -7.963 -5.926 -11.295 556 HB THR 71 HB THR 71 -5.610 -4.008 -11.025 557 HG1 THR 71 1HG THR 71 -7.374 -2.755 -11.310 558 1HG2 THR 71 1HG2 THR 71 -6.744 -5.534 -13.420 559 2HG2 THR 71 2HG2 THR 71 -5.390 -4.390 -13.449 560 3HG2 THR 71 3HG2 THR 71 -5.233 -5.923 -12.570 561 H ILE 72 H ILE 72 -5.906 -5.165 -8.480 562 HA ILE 72 HA ILE 72 -4.349 -7.614 -8.667 563 HB ILE 72 HB ILE 72 -4.662 -5.294 -6.749 564 1HG1 ILE 72 1HG1 ILE 72 -2.329 -6.599 -8.241 565 2HG1 ILE 72 2HG1 ILE 72 -3.228 -5.178 -8.767 566 1HG2 ILE 72 1HG2 ILE 72 -3.022 -6.345 -5.202 567 2HG2 ILE 72 2HG2 ILE 72 -4.589 -7.145 -5.189 568 3HG2 ILE 72 3HG2 ILE 72 -3.238 -7.868 -6.069 569 1HD1 ILE 72 1HD1 ILE 72 -1.159 -4.437 -7.856 570 2HD1 ILE 72 2HD1 ILE 72 -2.428 -3.971 -6.704 571 3HD1 ILE 72 3HD1 ILE 72 -1.375 -5.373 -6.374 572 H ARG 73 H ARG 73 -7.112 -6.518 -6.755 573 HA ARG 73 HA ARG 73 -7.818 -8.995 -5.528 574 1HB ARG 73 1HB ARG 73 -8.362 -6.439 -4.996 575 2HB ARG 73 2HB ARG 73 -9.856 -6.843 -5.812 576 1HG ARG 73 1HG ARG 73 -8.607 -8.276 -3.411 577 2HG ARG 73 2HG ARG 73 -9.920 -7.093 -3.327 578 1HD ARG 73 1HD ARG 73 -11.403 -8.574 -4.598 579 2HD ARG 73 2HD ARG 73 -10.065 -9.702 -4.847 580 HE ARG 73 HE ARG 73 -10.903 -9.153 -2.069 581 1HH1 ARG 73 2HH2 ARG 73 -11.157 -11.236 -4.902 582 2HH1 ARG 73 1HH2 ARG 73 -11.740 -12.616 -4.046 583 1HH2 ARG 73 2HH1 ARG 73 -11.191 -11.101 -0.856 584 2HH2 ARG 73 1HH1 ARG 73 -11.727 -12.549 -1.678 585 H ALA 74 H ALA 74 -7.501 -8.973 -8.543 586 HA ALA 74 HA ALA 74 -10.086 -9.493 -9.737 587 1HB ALA 74 1HB ALA 74 -7.189 -10.104 -10.491 588 2HB ALA 74 2HB ALA 74 -8.566 -10.629 -11.466 589 3HB ALA 74 3HB ALA 74 -8.289 -8.898 -11.197 590 H ASP 75 H ASP 75 -7.368 -11.623 -9.108 591 HA ASP 75 HA ASP 75 -8.052 -13.596 -7.467 592 1HB ASP 75 1HB ASP 75 -9.085 -15.448 -8.610 593 2HB ASP 75 2HB ASP 75 -10.194 -14.126 -8.512 594 H GLY 76 H GLY 76 -6.434 -12.644 -10.341 595 1HA GLY 76 1HA GLY 76 -5.091 -14.866 -11.190 596 2HA GLY 76 2HA GLY 76 -4.540 -13.213 -11.382 597 H ALA 77 H ALA 77 -4.791 -14.519 -8.243 598 HA ALA 77 HA ALA 77 -3.514 -15.372 -6.643 599 1HB ALA 77 1HB ALA 77 -1.965 -16.436 -8.361 600 2HB ALA 77 2HB ALA 77 -0.969 -14.952 -8.206 601 3HB ALA 77 3HB ALA 77 -1.230 -15.988 -6.809 602 H MET 78 H MET 78 -3.190 -12.362 -8.148 603 HA MET 78 HA MET 78 -1.496 -11.145 -6.125 604 1HB MET 78 1HB MET 78 -3.320 -9.792 -8.158 605 2HB MET 78 2HB MET 78 -1.953 -9.074 -7.282 606 1HG MET 78 1HG MET 78 -0.469 -10.817 -8.329 607 2HG MET 78 2HG MET 78 -1.825 -11.256 -9.375 608 1HE MET 78 1HE MET 78 -0.025 -10.922 -11.330 609 2HE MET 78 2HE MET 78 0.764 -9.370 -11.679 610 3HE MET 78 3HE MET 78 1.206 -10.270 -10.219 611 H SER 79 H SER 79 -4.762 -11.983 -6.331 612 HA SER 79 HA SER 79 -6.032 -9.947 -4.981 613 1HB SER 79 1HB SER 79 -7.042 -11.865 -6.276 614 2HB SER 79 2HB SER 79 -6.836 -12.884 -4.838 615 HG SER 79 HG SER 79 -8.208 -11.439 -3.732 616 H ALA 80 H ALA 80 -4.053 -12.446 -3.462 617 HA ALA 80 HA ALA 80 -5.184 -12.134 -0.830 618 1HB ALA 80 1HB ALA 80 -2.464 -13.196 -1.718 619 2HB ALA 80 2HB ALA 80 -3.204 -13.401 -0.117 620 3HB ALA 80 3HB ALA 80 -3.960 -14.151 -1.534 621 H LEU 81 H LEU 81 -3.111 -10.087 -2.715 622 HA LEU 81 HA LEU 81 -1.177 -9.377 -0.847 623 1HB LEU 81 1HB LEU 81 -2.422 -7.898 -3.188 624 2HB LEU 81 2HB LEU 81 -1.183 -7.127 -2.219 625 HG LEU 81 HG LEU 81 -0.720 -9.806 -3.586 626 1HD1 LEU 81 1HD1 LEU 81 0.625 -8.290 -5.181 627 2HD1 LEU 81 2HD1 LEU 81 -1.131 -8.277 -5.348 628 3HD1 LEU 81 3HD1 LEU 81 -0.353 -6.953 -4.521 629 1HD2 LEU 81 1HD2 LEU 81 1.167 -7.776 -2.312 630 2HD2 LEU 81 2HD2 LEU 81 0.797 -9.385 -1.692 631 3HD2 LEU 81 3HD2 LEU 81 1.660 -9.205 -3.228 632 HA PRO 82 HA PRO 82 -3.428 -6.362 1.671 633 1HB PRO 82 1HB PRO 82 -1.400 -5.411 3.199 634 2HB PRO 82 2HB PRO 82 -2.031 -7.072 3.400 635 1HG PRO 82 1HG PRO 82 0.449 -6.201 1.923 636 2HG PRO 82 2HG PRO 82 0.239 -7.590 3.033 637 1HD PRO 82 1HD PRO 82 0.100 -7.716 0.240 638 2HD PRO 82 2HD PRO 82 -0.652 -8.902 1.341 639 H VAL 83 H VAL 83 -3.654 -5.472 -0.618 640 HA VAL 83 HA VAL 83 -2.099 -3.115 -1.286 641 HB VAL 83 HB VAL 83 -4.313 -2.438 -2.440 642 1HG1 VAL 83 1HG1 VAL 83 -2.431 -3.217 -3.723 643 2HG1 VAL 83 2HG1 VAL 83 -2.798 -4.922 -3.335 644 3HG1 VAL 83 3HG1 VAL 83 -3.895 -3.956 -4.360 645 1HG2 VAL 83 1HG2 VAL 83 -5.827 -3.985 -1.249 646 2HG2 VAL 83 2HG2 VAL 83 -5.806 -4.247 -3.004 647 3HG2 VAL 83 3HG2 VAL 83 -4.974 -5.385 -1.954 648 H LEU 84 H LEU 84 -2.452 -0.995 -0.533 649 HA LEU 84 HA LEU 84 -4.077 -0.767 1.949 650 1HB LEU 84 1HB LEU 84 -1.955 -1.924 2.468 651 2HB LEU 84 2HB LEU 84 -1.054 -0.658 1.673 652 HG LEU 84 HG LEU 84 -1.286 0.843 3.421 653 1HD1 LEU 84 1HD1 LEU 84 -2.899 0.592 5.311 654 2HD1 LEU 84 2HD1 LEU 84 -3.645 0.973 3.775 655 3HD1 LEU 84 3HD1 LEU 84 -3.720 -0.699 4.365 656 1HD2 LEU 84 1HD2 LEU 84 0.075 -1.096 4.073 657 2HD2 LEU 84 2HD2 LEU 84 -0.726 -0.398 5.480 658 3HD2 LEU 84 3HD2 LEU 84 -1.345 -1.904 4.741 659 H MET 85 H MET 85 -5.099 1.163 1.759 660 HA MET 85 HA MET 85 -4.063 3.146 -0.148 661 1HB MET 85 1HB MET 85 -6.429 3.312 1.751 662 2HB MET 85 2HB MET 85 -6.087 4.426 0.447 663 1HG MET 85 1HG MET 85 -6.576 1.484 -0.127 664 2HG MET 85 2HG MET 85 -7.908 2.548 0.259 665 1HE MET 85 1HE MET 85 -4.788 3.787 -2.063 666 2HE MET 85 2HE MET 85 -4.892 2.008 -2.138 667 3HE MET 85 3HE MET 85 -5.325 2.993 -3.546 668 H VAL 86 H VAL 86 -2.566 4.619 0.490 669 HA VAL 86 HA VAL 86 -2.523 5.538 3.306 670 HB VAL 86 HB VAL 86 -0.090 4.850 1.586 671 1HG1 VAL 86 1HG1 VAL 86 1.153 5.373 3.696 672 2HG1 VAL 86 2HG1 VAL 86 0.363 6.775 2.987 673 3HG1 VAL 86 3HG1 VAL 86 -0.356 5.979 4.415 674 1HG2 VAL 86 1HG2 VAL 86 0.415 3.154 3.309 675 2HG2 VAL 86 2HG2 VAL 86 -1.135 3.483 4.109 676 3HG2 VAL 86 3HG2 VAL 86 -1.101 2.814 2.468 677 H THR 87 H THR 87 -3.419 7.537 2.994 678 HA THR 87 HA THR 87 -2.280 9.205 0.843 679 HB THR 87 HB THR 87 -4.115 8.006 -0.198 680 HG1 THR 87 1HG THR 87 -3.847 9.999 -0.898 681 1HG2 THR 87 1HG2 THR 87 -5.879 9.132 2.005 682 2HG2 THR 87 2HG2 THR 87 -6.458 8.392 0.495 683 3HG2 THR 87 3HG2 THR 87 -5.551 7.418 1.663 684 H ALA 88 H ALA 88 -3.458 11.382 0.953 685 HA ALA 88 HA ALA 88 -3.418 12.362 3.770 686 1HB ALA 88 1HB ALA 88 -3.492 13.937 1.166 687 2HB ALA 88 2HB ALA 88 -3.176 14.557 2.808 688 3HB ALA 88 3HB ALA 88 -2.008 13.475 2.008 689 H GLU 89 H GLU 89 -5.588 11.633 1.047 690 HA GLU 89 HA GLU 89 -7.671 13.456 2.011 691 1HB GLU 89 1HB GLU 89 -7.474 11.493 -0.318 692 2HB GLU 89 2HB GLU 89 -8.923 12.407 0.108 693 1HG GLU 89 1HG GLU 89 -7.246 14.487 0.077 694 2HG GLU 89 2HG GLU 89 -6.242 13.412 -0.893 695 H ALA 90 H ALA 90 -8.771 12.822 3.788 696 HA ALA 90 HA ALA 90 -9.348 10.065 4.501 697 1HB ALA 90 1HB ALA 90 -10.830 12.647 5.210 698 2HB ALA 90 2HB ALA 90 -11.144 11.046 5.906 699 3HB ALA 90 3HB ALA 90 -9.593 11.848 6.187 700 H LYS 91 H LYS 91 -11.653 12.493 3.249 701 HA LYS 91 HA LYS 91 -13.588 12.213 2.123 702 1HB LYS 91 1HB LYS 91 -11.776 12.423 0.400 703 2HB LYS 91 2HB LYS 91 -11.791 10.678 0.229 704 1HG LYS 91 1HG LYS 91 -13.090 11.758 -1.545 705 2HG LYS 91 2HG LYS 91 -14.163 10.777 -0.538 706 1HD LYS 91 1HD LYS 91 -15.076 12.747 0.542 707 2HD LYS 91 2HD LYS 91 -13.763 13.764 -0.065 708 1HE LYS 91 1HE LYS 91 -15.861 14.180 -1.264 709 2HE LYS 91 2HE LYS 91 -14.582 13.599 -2.339 710 1HZ LYS 91 1HZ LYS 91 -15.577 11.473 -2.393 711 2HZ LYS 91 2HZ LYS 91 -16.658 11.848 -1.187 712 3HZ LYS 91 3HZ LYS 91 -16.782 12.535 -2.674 713 H LYS 92 H LYS 92 -14.788 11.051 3.536 714 HA LYS 92 HA LYS 92 -14.689 8.444 4.065 715 1HB LYS 92 1HB LYS 92 -16.575 10.545 4.540 716 2HB LYS 92 2HB LYS 92 -17.534 9.188 3.976 717 1HG LYS 92 1HG LYS 92 -15.580 9.177 6.322 718 2HG LYS 92 2HG LYS 92 -17.340 9.197 6.401 719 1HD LYS 92 1HD LYS 92 -17.248 6.956 5.082 720 2HD LYS 92 2HD LYS 92 -15.527 6.952 5.456 721 1HE LYS 92 1HE LYS 92 -16.613 5.594 7.068 722 2HE LYS 92 2HE LYS 92 -16.060 7.061 7.892 723 1HZ LYS 92 1HZ LYS 92 -18.802 6.715 6.844 724 2HZ LYS 92 2HZ LYS 92 -18.366 6.280 8.376 725 3HZ LYS 92 3HZ LYS 92 -18.295 7.867 7.887 726 H GLU 93 H GLU 93 -16.327 9.665 1.103 727 HA GLU 93 HA GLU 93 -17.517 7.135 0.471 728 1HB GLU 93 1HB GLU 93 -16.576 9.402 -1.369 729 2HB GLU 93 2HB GLU 93 -17.533 8.014 -1.881 730 1HG GLU 93 1HG GLU 93 -19.014 9.846 -1.595 731 2HG GLU 93 2HG GLU 93 -19.336 8.631 -0.345 732 H ASN 94 H ASN 94 -14.256 8.425 -0.062 733 HA ASN 94 HA ASN 94 -13.359 6.272 -1.809 734 1HB ASN 94 1HB ASN 94 -11.751 8.184 -0.062 735 2HB ASN 94 2HB ASN 94 -11.060 6.984 -1.112 736 1HD2 ASN 94 1HD2 ASN 94 -12.778 7.328 -3.517 737 2HD2 ASN 94 2HD2 ASN 94 -12.357 8.936 -4.066 738 H ILE 95 H ILE 95 -13.394 6.931 1.725 739 HA ILE 95 HA ILE 95 -12.263 4.397 2.470 740 HB ILE 95 HB ILE 95 -14.053 6.298 3.928 741 1HG1 ILE 95 1HG1 ILE 95 -12.250 5.849 5.709 742 2HG1 ILE 95 2HG1 ILE 95 -11.353 5.017 4.440 743 1HG2 ILE 95 1HG2 ILE 95 -13.581 3.467 4.899 744 2HG2 ILE 95 2HG2 ILE 95 -14.192 4.795 5.905 745 3HG2 ILE 95 3HG2 ILE 95 -15.154 4.215 4.552 746 1HD1 ILE 95 1HD1 ILE 95 -10.666 7.392 4.698 747 2HD1 ILE 95 2HD1 ILE 95 -11.388 7.110 3.105 748 3HD1 ILE 95 3HD1 ILE 95 -12.329 7.915 4.385 749 H ILE 96 H ILE 96 -15.734 5.132 1.776 750 HA ILE 96 HA ILE 96 -16.683 2.499 2.230 751 HB ILE 96 HB ILE 96 -17.747 4.762 0.528 752 1HG1 ILE 96 1HG1 ILE 96 -19.803 4.273 1.986 753 2HG1 ILE 96 2HG1 ILE 96 -18.797 3.148 2.897 754 1HG2 ILE 96 1HG2 ILE 96 -18.927 1.966 0.513 755 2HG2 ILE 96 2HG2 ILE 96 -19.752 3.428 -0.067 756 3HG2 ILE 96 3HG2 ILE 96 -18.312 2.872 -0.894 757 1HD1 ILE 96 1HD1 ILE 96 -17.318 5.046 3.514 758 2HD1 ILE 96 2HD1 ILE 96 -18.351 6.139 2.539 759 3HD1 ILE 96 3HD1 ILE 96 -18.999 5.333 3.978 760 H ALA 97 H ALA 97 -15.594 3.952 -0.885 761 HA ALA 97 HA ALA 97 -15.934 1.636 -2.442 762 1HB ALA 97 1HB ALA 97 -14.248 2.715 -3.946 763 2HB ALA 97 2HB ALA 97 -15.533 3.821 -3.431 764 3HB ALA 97 3HB ALA 97 -13.939 3.911 -2.662 765 H ALA 98 H ALA 98 -13.069 2.676 -0.527 766 HA ALA 98 HA ALA 98 -11.396 0.506 -1.353 767 1HB ALA 98 1HB ALA 98 -10.001 1.201 0.569 768 2HB ALA 98 2HB ALA 98 -10.516 2.579 -0.418 769 3HB ALA 98 3HB ALA 98 -11.324 2.262 1.129 770 H ALA 99 H ALA 99 -13.656 0.855 1.426 771 HA ALA 99 HA ALA 99 -12.958 -1.718 2.550 772 1HB ALA 99 1HB ALA 99 -13.990 0.107 3.869 773 2HB ALA 99 2HB ALA 99 -15.469 -0.005 2.893 774 3HB ALA 99 3HB ALA 99 -14.983 -1.360 3.933 775 H GLN 100 H GLN 100 -15.418 -0.605 0.249 776 HA GLN 100 HA GLN 100 -16.926 -2.994 -0.031 777 1HB GLN 100 1HB GLN 100 -16.307 -0.645 -1.865 778 2HB GLN 100 2HB GLN 100 -17.334 -1.964 -2.387 779 1HG GLN 100 1HG GLN 100 -18.012 -0.623 0.248 780 2HG GLN 100 2HG GLN 100 -18.305 0.254 -1.253 781 1HE2 GLN 100 1HE2 GLN 100 -19.297 -2.721 0.604 782 2HE2 GLN 100 2HE2 GLN 100 -20.632 -3.027 -0.465 783 H ALA 101 H ALA 101 -14.066 -1.771 -1.903 784 HA ALA 101 HA ALA 101 -13.777 -4.147 -3.469 785 1HB ALA 101 1HB ALA 101 -12.830 -1.969 -4.100 786 2HB ALA 101 2HB ALA 101 -11.801 -1.975 -2.671 787 3HB ALA 101 3HB ALA 101 -11.554 -3.191 -3.956 788 H GLY 102 H GLY 102 -12.732 -3.234 -0.229 789 1HA GLY 102 1HA GLY 102 -12.205 -4.700 1.499 790 2HA GLY 102 2HA GLY 102 -11.919 -6.004 0.343 791 H ALA 103 H ALA 103 -10.567 -2.688 0.390 792 HA ALA 103 HA ALA 103 -7.868 -3.543 -0.050 793 1HB ALA 103 1HB ALA 103 -9.037 -1.123 -0.217 794 2HB ALA 103 2HB ALA 103 -8.523 -0.986 1.450 795 3HB ALA 103 3HB ALA 103 -7.315 -1.279 0.169 796 H SER 104 H SER 104 -6.084 -3.537 1.642 797 HA SER 104 HA SER 104 -6.904 -4.904 3.970 798 1HB SER 104 1HB SER 104 -4.676 -4.819 4.695 799 2HB SER 104 2HB SER 104 -4.660 -5.120 2.956 800 HG SER 104 HG SER 104 -4.008 -3.072 2.609 801 H GLY 105 H GLY 105 -6.654 -1.443 3.380 802 1HA GLY 105 1HA GLY 105 -8.306 -0.599 5.297 803 2HA GLY 105 2HA GLY 105 -6.761 -0.626 6.169 804 H TYR 106 H TYR 106 -7.486 1.758 6.161 805 HA TYR 106 HA TYR 106 -6.470 3.205 3.804 806 1HB TYR 106 1HB TYR 106 -9.020 2.759 3.948 807 2HB TYR 106 2HB TYR 106 -9.032 3.875 5.296 808 HD1 TYR 106 1HD TYR 106 -9.539 3.574 1.849 809 HD2 TYR 106 2HD TYR 106 -7.699 6.220 4.712 810 HE1 TYR 106 1HE TYR 106 -9.798 5.455 0.267 811 HE2 TYR 106 2HE TYR 106 -7.958 8.091 3.129 812 HH TYR 106 HH TYR 106 -8.867 8.801 1.160 813 H VAL 107 H VAL 107 -4.603 3.867 4.783 814 HA VAL 107 HA VAL 107 -4.578 5.104 7.459 815 HB VAL 107 HB VAL 107 -2.465 4.698 5.323 816 1HG1 VAL 107 1HG1 VAL 107 -2.213 5.853 8.126 817 2HG1 VAL 107 2HG1 VAL 107 -0.851 5.442 7.048 818 3HG1 VAL 107 3HG1 VAL 107 -1.981 6.719 6.592 819 1HG2 VAL 107 1HG2 VAL 107 -1.463 3.105 6.897 820 2HG2 VAL 107 2HG2 VAL 107 -2.754 3.410 8.074 821 3HG2 VAL 107 3HG2 VAL 107 -3.125 2.607 6.534 822 H VAL 108 H VAL 108 -5.049 7.267 7.668 823 HA VAL 108 HA VAL 108 -4.801 8.995 5.265 824 HB VAL 108 HB VAL 108 -6.358 9.794 7.736 825 1HG1 VAL 108 1HG1 VAL 108 -6.382 10.640 4.793 826 2HG1 VAL 108 2HG1 VAL 108 -7.413 11.318 6.063 827 3HG1 VAL 108 3HG1 VAL 108 -5.669 11.553 6.145 828 1HG2 VAL 108 1HG2 VAL 108 -7.521 7.762 6.951 829 2HG2 VAL 108 2HG2 VAL 108 -8.457 9.213 6.590 830 3HG2 VAL 108 3HG2 VAL 108 -7.534 8.423 5.298 831 H LYS 109 H LYS 109 -3.386 10.773 5.530 832 HA LYS 109 HA LYS 109 -1.520 10.571 7.725 833 1HB LYS 109 1HB LYS 109 -0.133 11.858 6.503 834 2HB LYS 109 2HB LYS 109 -1.177 11.315 5.209 835 1HG LYS 109 1HG LYS 109 -2.457 13.488 5.430 836 2HG LYS 109 2HG LYS 109 -1.254 14.023 6.603 837 1HD LYS 109 1HD LYS 109 -0.680 13.173 3.743 838 2HD LYS 109 2HD LYS 109 -0.791 14.846 4.294 839 1HE LYS 109 1HE LYS 109 1.261 12.828 5.295 840 2HE LYS 109 2HE LYS 109 1.541 13.928 3.944 841 1HZ LYS 109 1HZ LYS 109 0.862 14.879 6.664 842 2HZ LYS 109 2HZ LYS 109 2.380 14.719 6.145 843 3HZ LYS 109 3HZ LYS 109 1.348 15.783 5.400 844 HA PRO 110 HA PRO 110 0.130 12.338 8.637 845 1HB PRO 110 1HB PRO 110 0.681 12.807 11.272 846 2HB PRO 110 2HB PRO 110 0.545 14.112 10.060 847 1HG PRO 110 1HG PRO 110 -1.576 13.128 11.990 848 2HG PRO 110 2HG PRO 110 -1.095 14.823 11.643 849 1HD PRO 110 1HD PRO 110 -3.261 13.629 10.485 850 2HD PRO 110 2HD PRO 110 -2.259 14.807 9.595 851 H PHE 111 H PHE 111 1.220 10.436 9.341 852 HA PHE 111 HA PHE 111 -0.268 8.508 10.999 853 1HB PHE 111 1HB PHE 111 0.030 6.741 9.267 854 2HB PHE 111 2HB PHE 111 -1.145 7.961 8.856 855 HD1 PHE 111 1HD PHE 111 2.422 6.969 8.281 856 HD2 PHE 111 2HD PHE 111 -1.081 8.854 6.649 857 HE1 PHE 111 1HE PHE 111 3.505 7.118 6.076 858 HE2 PHE 111 2HE PHE 111 0.029 9.065 4.458 859 HZ PHE 111 HZ PHE 111 2.327 8.185 4.153 860 H THR 112 H THR 112 1.114 6.634 11.563 861 HA THR 112 HA THR 112 3.976 7.356 11.780 862 HB THR 112 HB THR 112 3.471 6.745 14.298 863 HG1 THR 112 1HG THR 112 1.312 7.396 14.863 864 1HG2 THR 112 1HG2 THR 112 2.454 9.376 13.159 865 2HG2 THR 112 2HG2 THR 112 2.994 9.060 14.823 866 3HG2 THR 112 3HG2 THR 112 4.157 8.982 13.501 867 H ALA 113 H ALA 113 5.104 5.555 13.150 868 HA ALA 113 HA ALA 113 4.704 3.008 11.879 869 1HB ALA 113 1HB ALA 113 6.242 3.611 14.429 870 2HB ALA 113 2HB ALA 113 6.439 2.241 13.342 871 3HB ALA 113 3HB ALA 113 6.906 3.848 12.788 872 H ALA 114 H ALA 114 3.517 4.635 14.834 873 HA ALA 114 HA ALA 114 2.319 2.486 16.128 874 1HB ALA 114 1HB ALA 114 0.802 4.087 17.133 875 2HB ALA 114 2HB ALA 114 2.400 4.831 17.002 876 3HB ALA 114 3HB ALA 114 1.113 5.274 15.859 877 H THR 115 H THR 115 0.913 4.341 13.307 878 HA THR 115 HA THR 115 -1.363 2.481 13.444 879 HB THR 115 HB THR 115 -1.556 4.974 12.752 880 HG1 THR 115 1HG THR 115 -3.343 3.623 12.565 881 1HG2 THR 115 1HG2 THR 115 0.122 4.932 10.895 882 2HG2 THR 115 2HG2 THR 115 -0.925 3.804 10.008 883 3HG2 THR 115 3HG2 THR 115 -1.507 5.434 10.382 884 H LEU 116 H LEU 116 1.647 2.864 11.575 885 HA LEU 116 HA LEU 116 1.050 1.042 9.509 886 1HB LEU 116 1HB LEU 116 3.069 2.632 9.819 887 2HB LEU 116 2HB LEU 116 3.768 1.361 10.803 888 HG LEU 116 HG LEU 116 4.771 1.283 8.687 889 1HD1 LEU 116 1HD1 LEU 116 4.434 -0.946 7.958 890 2HD1 LEU 116 2HD1 LEU 116 4.120 -0.942 9.694 891 3HD1 LEU 116 3HD1 LEU 116 2.774 -0.974 8.535 892 1HD2 LEU 116 1HD2 LEU 116 2.043 1.068 7.344 893 2HD2 LEU 116 2HD2 LEU 116 3.113 2.491 7.333 894 3HD2 LEU 116 3HD2 LEU 116 3.627 0.996 6.550 895 H GLU 117 H GLU 117 2.557 0.423 12.729 896 HA GLU 117 HA GLU 117 2.830 -2.379 12.425 897 1HB GLU 117 1HB GLU 117 3.629 -2.362 14.617 898 2HB GLU 117 2HB GLU 117 4.083 -0.821 13.960 899 1HG GLU 117 1HG GLU 117 3.325 0.037 15.885 900 2HG GLU 117 2HG GLU 117 1.746 -0.089 15.171 901 H GLU 118 H GLU 118 0.289 -0.396 13.965 902 HA GLU 118 HA GLU 118 -1.409 -2.467 14.860 903 1HB GLU 118 1HB GLU 118 -1.578 -0.179 15.551 904 2HB GLU 118 2HB GLU 118 -1.882 0.353 13.893 905 1HG GLU 118 1HG GLU 118 -3.922 0.353 15.095 906 2HG GLU 118 2HG GLU 118 -3.962 -0.877 13.839 907 H LYS 119 H LYS 119 -1.150 -0.832 11.685 908 HA LYS 119 HA LYS 119 -3.223 -2.390 10.462 909 1HB LYS 119 1HB LYS 119 -1.154 -0.408 9.565 910 2HB LYS 119 2HB LYS 119 -1.700 -1.498 8.355 911 1HG LYS 119 1HG LYS 119 -3.504 0.299 9.983 912 2HG LYS 119 2HG LYS 119 -2.942 0.627 8.351 913 1HD LYS 119 1HD LYS 119 -4.691 -1.775 9.122 914 2HD LYS 119 2HD LYS 119 -5.262 -0.263 8.472 915 1HE LYS 119 1HE LYS 119 -5.262 -1.878 6.748 916 2HE LYS 119 2HE LYS 119 -4.091 -0.626 6.375 917 1HZ LYS 119 1HZ LYS 119 -3.379 -2.905 5.843 918 2HZ LYS 119 2HZ LYS 119 -2.339 -2.163 6.864 919 3HZ LYS 119 3HZ LYS 119 -3.359 -3.293 7.456 920 H LEU 120 H LEU 120 0.216 -2.980 10.944 921 HA LEU 120 HA LEU 120 0.448 -5.196 9.090 922 1HB LEU 120 1HB LEU 120 2.073 -4.495 11.569 923 2HB LEU 120 2HB LEU 120 2.353 -5.907 10.593 924 HG LEU 120 HG LEU 120 2.581 -3.077 9.543 925 1HD1 LEU 120 1HD1 LEU 120 4.314 -3.584 11.240 926 2HD1 LEU 120 2HD1 LEU 120 4.747 -5.055 10.351 927 3HD1 LEU 120 3HD1 LEU 120 5.013 -3.459 9.619 928 1HD2 LEU 120 1HD2 LEU 120 3.774 -4.153 7.648 929 2HD2 LEU 120 2HD2 LEU 120 3.363 -5.745 8.314 930 3HD2 LEU 120 3HD2 LEU 120 2.083 -4.650 7.743 931 H ASN 121 H ASN 121 -0.035 -4.979 12.667 932 HA ASN 121 HA ASN 121 -0.577 -7.706 13.095 933 1HB ASN 121 1HB ASN 121 -0.209 -6.126 14.890 934 2HB ASN 121 2HB ASN 121 -1.732 -5.286 14.535 935 1HD2 ASN 121 1HD2 ASN 121 -2.857 -5.792 16.493 936 2HD2 ASN 121 2HD2 ASN 121 -3.012 -7.452 17.061 937 H LYS 122 H LYS 122 -2.889 -5.089 12.233 938 HA LYS 122 HA LYS 122 -5.194 -6.691 12.035 939 1HB LYS 122 1HB LYS 122 -4.336 -4.271 10.429 940 2HB LYS 122 2HB LYS 122 -5.824 -5.147 10.051 941 1HG LYS 122 1HG LYS 122 -6.637 -4.852 12.331 942 2HG LYS 122 2HG LYS 122 -5.181 -3.974 12.782 943 1HD LYS 122 1HD LYS 122 -6.372 -2.788 10.378 944 2HD LYS 122 2HD LYS 122 -7.602 -2.952 11.617 945 1HE LYS 122 1HE LYS 122 -4.872 -1.693 12.144 946 2HE LYS 122 2HE LYS 122 -6.280 -0.769 11.601 947 1HZ LYS 122 1HZ LYS 122 -6.236 -0.652 13.947 948 2HZ LYS 122 2HZ LYS 122 -7.467 -1.652 13.586 949 3HZ LYS 122 3HZ LYS 122 -6.034 -2.264 14.151 950 H ILE 123 H ILE 123 -2.801 -6.172 9.272 951 HA ILE 123 HA ILE 123 -4.356 -8.108 7.776 952 HB ILE 123 HB ILE 123 -2.507 -8.120 6.141 953 1HG1 ILE 123 1HG1 ILE 123 -1.196 -6.203 8.086 954 2HG1 ILE 123 2HG1 ILE 123 -0.563 -7.770 7.588 955 1HG2 ILE 123 1HG2 ILE 123 -4.408 -6.520 6.150 956 2HG2 ILE 123 2HG2 ILE 123 -3.368 -5.350 7.004 957 3HG2 ILE 123 3HG2 ILE 123 -2.949 -5.910 5.361 958 1HD1 ILE 123 1HD1 ILE 123 -0.871 -5.257 5.900 959 2HD1 ILE 123 2HD1 ILE 123 0.600 -6.016 6.510 960 3HD1 ILE 123 3HD1 ILE 123 -0.363 -6.850 5.268 961 H PHE 124 H PHE 124 -1.529 -8.513 9.900 962 HA PHE 124 HA PHE 124 -0.849 -11.159 9.147 963 1HB PHE 124 1HB PHE 124 -0.835 -9.790 11.862 964 2HB PHE 124 2HB PHE 124 -0.078 -11.335 11.521 965 HD1 PHE 124 1HD PHE 124 1.318 -8.997 12.771 966 HD2 PHE 124 2HD PHE 124 1.032 -10.230 8.645 967 HE1 PHE 124 1HE PHE 124 3.469 -7.887 12.281 968 HE2 PHE 124 2HE PHE 124 3.144 -9.075 8.153 969 HZ PHE 124 HZ PHE 124 4.373 -7.896 9.958 970 H GLU 125 H GLU 125 -3.241 -9.937 11.534 971 HA GLU 125 HA GLU 125 -4.030 -12.679 12.092 972 1HB GLU 125 1HB GLU 125 -5.038 -9.949 13.027 973 2HB GLU 125 2HB GLU 125 -5.617 -11.466 13.700 974 1HG GLU 125 1HG GLU 125 -2.692 -10.586 13.775 975 2HG GLU 125 2HG GLU 125 -3.853 -10.275 15.050 976 H LYS 126 H LYS 126 -5.307 -9.984 10.291 977 HA LYS 126 HA LYS 126 -8.002 -11.116 9.991 978 1HB LYS 126 1HB LYS 126 -7.600 -8.657 9.953 979 2HB LYS 126 2HB LYS 126 -6.672 -8.839 8.457 980 1HG LYS 126 1HG LYS 126 -8.829 -9.884 7.461 981 2HG LYS 126 2HG LYS 126 -9.641 -9.248 8.897 982 1HD LYS 126 1HD LYS 126 -8.938 -6.952 8.312 983 2HD LYS 126 2HD LYS 126 -7.957 -7.572 6.980 984 1HE LYS 126 1HE LYS 126 -9.867 -6.873 5.863 985 2HE LYS 126 2HE LYS 126 -10.121 -8.608 6.040 986 1HZ LYS 126 1HZ LYS 126 -11.517 -8.106 7.988 987 2HZ LYS 126 2HZ LYS 126 -11.315 -6.474 7.724 988 3HZ LYS 126 3HZ LYS 126 -12.099 -7.430 6.628 989 H LEU 127 H LEU 127 -5.549 -10.276 7.470 990 HA LEU 127 HA LEU 127 -6.741 -12.048 5.565 991 1HB LEU 127 1HB LEU 127 -3.914 -11.001 5.405 992 2HB LEU 127 2HB LEU 127 -5.011 -11.385 4.097 993 HG LEU 127 HG LEU 127 -5.038 -8.950 5.919 994 1HD1 LEU 127 1HD1 LEU 127 -4.769 -9.157 2.898 995 2HD1 LEU 127 2HD1 LEU 127 -4.703 -7.677 3.867 996 3HD1 LEU 127 3HD1 LEU 127 -3.443 -8.906 4.029 997 1HD2 LEU 127 1HD2 LEU 127 -7.376 -9.573 5.633 998 2HD2 LEU 127 2HD2 LEU 127 -7.015 -8.130 4.685 999 3HD2 LEU 127 3HD2 LEU 127 -7.156 -9.721 3.889 1000 H GLY 128 H GLY 128 -3.975 -12.253 7.806 1001 1HA GLY 128 1HA GLY 128 -2.944 -14.322 8.539 1002 2HA GLY 128 2HA GLY 128 -3.510 -15.107 7.072 1003 H MET 129 H MET 129 -1.932 -11.896 7.533 1004 HA MET 129 HA MET 129 -0.034 -12.552 5.330 1005 1HB MET 129 2HB MET 129 -0.513 -10.023 6.938 1006 2HB MET 129 3HB MET 129 0.881 -10.209 5.884 1007 1HG MET 129 2HG MET 129 -2.004 -10.318 5.035 1008 2HG MET 129 3HG MET 129 -0.864 -9.019 4.743 1009 1HE MET 129 1HE MET 129 -1.800 -12.417 2.008 1010 2HE MET 129 2HE MET 129 -1.962 -12.675 3.761 1011 3HE MET 129 3HE MET 129 -2.825 -11.337 2.961 Start of MODEL 10 1 1H MET 1 H MET 1 21.019 -18.779 2.189 2 2H MET 1 2HN MET 1 20.525 -17.224 2.032 3 3H MET 1 3HN MET 1 20.691 -17.878 3.542 4 HA MET 1 HA MET 1 18.764 -18.624 1.475 5 1HB MET 1 2HB MET 1 19.665 -20.517 2.889 6 2HB MET 1 3HB MET 1 18.978 -19.737 4.299 7 1HG MET 1 2HG MET 1 17.485 -21.440 3.546 8 2HG MET 1 3HG MET 1 16.701 -19.908 3.183 9 1HE MET 1 1HE MET 1 17.043 -18.819 0.447 10 2HE MET 1 2HE MET 1 16.137 -19.993 -0.520 11 3HE MET 1 3HE MET 1 15.544 -19.538 1.086 12 H ALA 2 H ALA 2 18.606 -16.106 1.599 13 HA ALA 2 HA ALA 2 17.310 -15.101 4.076 14 1HB ALA 2 1HB ALA 2 19.034 -13.712 1.985 15 2HB ALA 2 2HB ALA 2 18.279 -12.939 3.391 16 3HB ALA 2 3HB ALA 2 19.530 -14.175 3.629 17 H ASP 3 H ASP 3 15.125 -14.956 3.750 18 HA ASP 3 HA ASP 3 13.932 -14.782 1.161 19 1HB ASP 3 1HB ASP 3 12.761 -14.284 3.929 20 2HB ASP 3 2HB ASP 3 11.810 -14.419 2.446 21 H LYS 4 H LYS 4 15.429 -12.388 2.922 22 HA LYS 4 HA LYS 4 13.573 -10.264 3.005 23 1HB LYS 4 1HB LYS 4 16.592 -10.335 3.338 24 2HB LYS 4 2HB LYS 4 15.584 -8.924 3.690 25 1HG LYS 4 1HG LYS 4 14.251 -10.275 5.307 26 2HG LYS 4 2HG LYS 4 15.331 -11.652 5.039 27 1HD LYS 4 1HD LYS 4 17.255 -10.292 5.870 28 2HD LYS 4 2HD LYS 4 16.159 -8.922 6.109 29 1HE LYS 4 1HE LYS 4 15.824 -9.655 8.200 30 2HE LYS 4 2HE LYS 4 14.834 -10.926 7.490 31 1HZ LYS 4 1HZ LYS 4 16.748 -12.384 7.531 32 2HZ LYS 4 2HZ LYS 4 17.729 -11.151 8.081 33 3HZ LYS 4 3HZ LYS 4 16.532 -11.733 9.025 34 H GLU 5 H GLU 5 14.610 -11.353 0.148 35 HA GLU 5 HA GLU 5 15.172 -8.840 -1.236 36 1HB GLU 5 1HB GLU 5 14.958 -10.142 -3.238 37 2HB GLU 5 2HB GLU 5 15.877 -11.077 -2.072 38 1HG GLU 5 1HG GLU 5 13.682 -12.249 -1.440 39 2HG GLU 5 2HG GLU 5 12.938 -11.448 -2.826 40 H LEU 6 H LEU 6 12.341 -10.490 -0.039 41 HA LEU 6 HA LEU 6 10.397 -9.884 -1.924 42 1HB LEU 6 1HB LEU 6 9.711 -11.338 -0.310 43 2HB LEU 6 2HB LEU 6 10.315 -10.391 1.027 44 HG LEU 6 HG LEU 6 8.019 -9.216 -0.545 45 1HD1 LEU 6 1HD1 LEU 6 7.819 -11.613 1.299 46 2HD1 LEU 6 2HD1 LEU 6 6.449 -10.535 0.992 47 3HD1 LEU 6 3HD1 LEU 6 7.187 -11.395 -0.350 48 1HD2 LEU 6 1HD2 LEU 6 8.695 -9.331 2.442 49 2HD2 LEU 6 2HD2 LEU 6 8.885 -7.928 1.389 50 3HD2 LEU 6 3HD2 LEU 6 7.273 -8.517 1.729 51 H LYS 7 H LYS 7 9.498 -8.141 -2.646 52 HA LYS 7 HA LYS 7 10.600 -5.599 -1.642 53 1HB LYS 7 1HB LYS 7 9.481 -6.671 -4.234 54 2HB LYS 7 2HB LYS 7 9.206 -4.953 -3.931 55 1HG LYS 7 1HG LYS 7 11.403 -4.397 -3.838 56 2HG LYS 7 2HG LYS 7 11.956 -6.009 -3.395 57 1HD LYS 7 1HD LYS 7 10.745 -5.416 -6.108 58 2HD LYS 7 2HD LYS 7 12.455 -5.142 -5.789 59 1HE LYS 7 1HE LYS 7 11.036 -7.839 -5.523 60 2HE LYS 7 2HE LYS 7 11.955 -7.318 -6.934 61 1HZ LYS 7 1HZ LYS 7 13.278 -8.707 -5.552 62 2HZ LYS 7 2HZ LYS 7 13.930 -7.220 -5.553 63 3HZ LYS 7 3HZ LYS 7 13.063 -7.778 -4.231 64 H PHE 8 H PHE 8 9.320 -3.744 -1.675 65 HA PHE 8 HA PHE 8 6.486 -4.137 -0.684 66 1HB PHE 8 1HB PHE 8 8.871 -3.098 0.762 67 2HB PHE 8 2HB PHE 8 7.507 -1.995 0.780 68 HD1 PHE 8 1HD PHE 8 8.401 -5.573 1.518 69 HD2 PHE 8 2HD PHE 8 5.797 -2.232 2.300 70 HE1 PHE 8 1HE PHE 8 7.352 -6.801 3.393 71 HE2 PHE 8 2HE PHE 8 4.779 -3.454 4.195 72 HZ PHE 8 HZ PHE 8 5.571 -5.733 4.764 73 H LEU 9 H LEU 9 5.429 -3.205 -2.549 74 HA LEU 9 HA LEU 9 6.847 -1.061 -3.925 75 1HB LEU 9 1HB LEU 9 5.236 -2.752 -5.040 76 2HB LEU 9 2HB LEU 9 3.930 -1.834 -4.290 77 HG LEU 9 HG LEU 9 4.767 0.232 -5.444 78 1HD1 LEU 9 1HD1 LEU 9 6.336 -0.077 -7.393 79 2HD1 LEU 9 2HD1 LEU 9 7.098 -0.259 -5.837 80 3HD1 LEU 9 3HD1 LEU 9 6.700 -1.702 -6.788 81 1HD2 LEU 9 1HD2 LEU 9 2.989 -1.227 -6.432 82 2HD2 LEU 9 2HD2 LEU 9 3.935 -0.283 -7.593 83 3HD2 LEU 9 3HD2 LEU 9 4.255 -2.020 -7.409 84 H VAL 10 H VAL 10 6.544 1.188 -3.704 85 HA VAL 10 HA VAL 10 4.342 2.120 -1.958 86 HB VAL 10 HB VAL 10 7.098 3.391 -2.018 87 1HG1 VAL 10 1HG1 VAL 10 6.298 4.399 0.092 88 2HG1 VAL 10 2HG1 VAL 10 5.088 4.691 -1.180 89 3HG1 VAL 10 3HG1 VAL 10 4.809 3.430 0.023 90 1HG2 VAL 10 1HG2 VAL 10 7.439 2.298 0.265 91 2HG2 VAL 10 2HG2 VAL 10 6.035 1.260 -0.064 92 3HG2 VAL 10 3HG2 VAL 10 7.487 1.151 -1.077 93 H VAL 11 H VAL 11 3.006 3.262 -3.265 94 HA VAL 11 HA VAL 11 4.182 5.035 -5.366 95 HB VAL 11 HB VAL 11 1.543 3.578 -5.776 96 1HG1 VAL 11 1HG1 VAL 11 3.598 4.832 -7.628 97 2HG1 VAL 11 2HG1 VAL 11 2.100 4.013 -8.115 98 3HG1 VAL 11 3HG1 VAL 11 2.026 5.516 -7.186 99 1HG2 VAL 11 1HG2 VAL 11 3.057 1.744 -5.468 100 2HG2 VAL 11 2HG2 VAL 11 2.822 1.965 -7.187 101 3HG2 VAL 11 3HG2 VAL 11 4.321 2.542 -6.450 102 H ASP 12 H ASP 12 4.074 6.755 -3.752 103 HA ASP 12 HA ASP 12 1.406 7.428 -2.721 104 1HB ASP 12 1HB ASP 12 2.406 8.869 -1.207 105 2HB ASP 12 2HB ASP 12 3.478 7.468 -1.227 106 H ASP 13 H ASP 13 0.614 9.607 -2.893 107 HA ASP 13 HA ASP 13 0.538 10.702 -5.508 108 1HB ASP 13 1HB ASP 13 -1.343 11.152 -4.197 109 2HB ASP 13 2HB ASP 13 -0.383 11.458 -2.742 110 H PHE 14 H PHE 14 2.444 11.527 -2.626 111 HA PHE 14 HA PHE 14 2.996 14.163 -3.668 112 1HB PHE 14 1HB PHE 14 2.313 13.682 -1.377 113 2HB PHE 14 2HB PHE 14 3.777 12.771 -1.075 114 HD1 PHE 14 1HD PHE 14 3.655 14.309 0.959 115 HD2 PHE 14 2HD PHE 14 4.540 15.817 -2.998 116 HE1 PHE 14 1HE PHE 14 4.586 16.353 1.948 117 HE2 PHE 14 2HE PHE 14 5.507 17.824 -1.983 118 HZ PHE 14 HZ PHE 14 5.489 18.131 0.496 119 H SER 15 H SER 15 5.062 11.545 -2.465 120 HA SER 15 HA SER 15 7.206 10.935 -3.503 121 1HB SER 15 1HB SER 15 7.664 13.947 -3.253 122 2HB SER 15 2HB SER 15 8.951 12.749 -3.415 123 HG SER 15 HG SER 15 6.790 13.122 -5.201 124 H THR 16 H THR 16 6.760 13.624 -1.070 125 HA THR 16 HA THR 16 8.610 12.527 0.729 126 HB THR 16 HB THR 16 6.285 14.416 1.108 127 HG1 THR 16 1HG THR 16 9.018 15.023 0.699 128 1HG2 THR 16 1HG2 THR 16 8.669 13.903 2.889 129 2HG2 THR 16 2HG2 THR 16 7.676 15.383 2.952 130 3HG2 THR 16 3HG2 THR 16 6.938 13.819 3.291 131 H MET 17 H MET 17 5.047 11.734 0.380 132 HA MET 17 HA MET 17 4.897 10.463 2.941 133 1HB MET 17 1HB MET 17 3.190 10.670 0.497 134 2HB MET 17 2HB MET 17 3.109 9.139 1.335 135 1HG MET 17 1HG MET 17 1.432 10.380 2.342 136 2HG MET 17 2HG MET 17 2.766 10.553 3.481 137 1HE MET 17 1HE MET 17 1.035 13.780 0.663 138 2HE MET 17 2HE MET 17 1.461 12.141 0.121 139 3HE MET 17 3HE MET 17 0.135 12.383 1.274 140 H ARG 18 H ARG 18 6.335 9.594 -0.202 141 HA ARG 18 HA ARG 18 6.446 6.761 0.258 142 1HB ARG 18 1HB ARG 18 7.051 8.431 -1.789 143 2HB ARG 18 2HB ARG 18 8.677 8.195 -1.182 144 1HG ARG 18 1HG ARG 18 8.494 5.777 -1.476 145 2HG ARG 18 2HG ARG 18 6.788 5.947 -1.952 146 1HD ARG 18 1HD ARG 18 9.136 7.162 -3.448 147 2HD ARG 18 2HD ARG 18 8.210 5.698 -3.882 148 HE ARG 18 HE ARG 18 6.338 7.753 -3.528 149 1HH1 ARG 18 2HH2 ARG 18 9.108 7.548 -5.719 150 2HH1 ARG 18 1HH2 ARG 18 8.315 8.499 -6.942 151 1HH2 ARG 18 2HH1 ARG 18 5.427 9.010 -4.894 152 2HH2 ARG 18 1HH1 ARG 18 6.073 9.366 -6.478 153 H ARG 19 H ARG 19 8.606 9.497 0.967 154 HA ARG 19 HA ARG 19 10.732 7.953 2.075 155 1HB ARG 19 1HB ARG 19 10.258 10.722 1.571 156 2HB ARG 19 2HB ARG 19 10.430 10.616 3.324 157 1HG ARG 19 1HG ARG 19 12.619 10.943 2.491 158 2HG ARG 19 2HG ARG 19 12.539 9.227 2.919 159 1HD ARG 19 1HD ARG 19 11.872 8.840 0.419 160 2HD ARG 19 2HD ARG 19 12.386 10.497 0.148 161 HE ARG 19 HE ARG 19 13.997 8.191 0.288 162 1HH1 ARG 19 2HH2 ARG 19 14.124 11.595 1.255 163 2HH1 ARG 19 1HH2 ARG 19 15.860 11.668 1.227 164 1HH2 ARG 19 2HH1 ARG 19 16.183 8.344 -0.013 165 2HH2 ARG 19 1HH1 ARG 19 16.973 9.889 0.138 166 H ILE 20 H ILE 20 7.971 9.601 3.616 167 HA ILE 20 HA ILE 20 8.478 8.739 6.246 168 HB ILE 20 HB ILE 20 6.002 9.636 4.792 169 1HG1 ILE 20 1HG1 ILE 20 5.993 11.258 6.715 170 2HG1 ILE 20 2HG1 ILE 20 7.450 10.512 7.349 171 1HG2 ILE 20 1HG2 ILE 20 5.960 8.429 7.594 172 2HG2 ILE 20 2HG2 ILE 20 4.646 9.379 6.866 173 3HG2 ILE 20 3HG2 ILE 20 5.073 7.827 6.179 174 1HD1 ILE 20 1HD1 ILE 20 7.899 12.622 6.151 175 2HD1 ILE 20 2HD1 ILE 20 8.698 11.276 5.329 176 3HD1 ILE 20 3HD1 ILE 20 7.180 11.958 4.686 177 H VAL 21 H VAL 21 6.136 7.147 3.952 178 HA VAL 21 HA VAL 21 5.652 4.916 5.483 179 HB VAL 21 HB VAL 21 5.647 5.277 2.457 180 1HG1 VAL 21 1HG1 VAL 21 5.778 2.878 2.767 181 2HG1 VAL 21 2HG1 VAL 21 4.554 2.924 4.060 182 3HG1 VAL 21 3HG1 VAL 21 4.114 3.304 2.379 183 1HG2 VAL 21 1HG2 VAL 21 3.371 5.117 4.502 184 2HG2 VAL 21 2HG2 VAL 21 4.026 6.644 3.868 185 3HG2 VAL 21 3HG2 VAL 21 3.225 5.513 2.786 186 H ARG 22 H ARG 22 8.306 5.215 3.068 187 HA ARG 22 HA ARG 22 9.341 2.609 3.294 188 1HB ARG 22 1HB ARG 22 9.969 4.387 1.636 189 2HB ARG 22 2HB ARG 22 10.907 5.222 2.875 190 1HG ARG 22 1HG ARG 22 11.427 2.310 2.279 191 2HG ARG 22 2HG ARG 22 11.979 3.548 1.134 192 1HD ARG 22 1HD ARG 22 13.386 4.522 2.897 193 2HD ARG 22 2HD ARG 22 12.828 3.254 4.027 194 HE ARG 22 HE ARG 22 13.783 2.165 1.523 195 1HH1 ARG 22 2HH2 ARG 22 15.024 3.365 4.646 196 2HH1 ARG 22 1HH2 ARG 22 16.425 2.352 4.596 197 1HH2 ARG 22 2HH1 ARG 22 15.557 0.950 1.418 198 2HH2 ARG 22 1HH1 ARG 22 16.773 0.941 2.685 199 H ASN 23 H ASN 23 10.134 5.556 5.213 200 HA ASN 23 HA ASN 23 12.007 4.154 6.876 201 1HB ASN 23 1HB ASN 23 11.768 6.688 6.509 202 2HB ASN 23 2HB ASN 23 10.485 6.647 7.719 203 1HD2 ASN 23 1HD2 ASN 23 11.215 6.702 9.961 204 2HD2 ASN 23 2HD2 ASN 23 12.885 6.367 10.389 205 H LEU 24 H LEU 24 8.511 4.881 7.230 206 HA LEU 24 HA LEU 24 8.181 3.944 9.891 207 1HB LEU 24 1HB LEU 24 6.147 3.554 7.651 208 2HB LEU 24 2HB LEU 24 5.847 3.520 9.379 209 HG LEU 24 HG LEU 24 6.464 5.920 7.662 210 1HD1 LEU 24 1HD1 LEU 24 4.223 5.248 7.500 211 2HD1 LEU 24 2HD1 LEU 24 4.047 5.166 9.258 212 3HD1 LEU 24 3HD1 LEU 24 4.307 6.733 8.445 213 1HD2 LEU 24 1HD2 LEU 24 6.232 7.283 9.769 214 2HD2 LEU 24 2HD2 LEU 24 6.487 5.762 10.667 215 3HD2 LEU 24 3HD2 LEU 24 7.735 6.389 9.571 216 H LEU 25 H LEU 25 8.115 2.178 6.796 217 HA LEU 25 HA LEU 25 7.547 -0.379 7.947 218 1HB LEU 25 1HB LEU 25 8.739 0.559 5.321 219 2HB LEU 25 2HB LEU 25 8.577 -1.158 5.679 220 HG LEU 25 HG LEU 25 6.182 0.679 6.092 221 1HD1 LEU 25 1HD1 LEU 25 5.430 0.383 3.871 222 2HD1 LEU 25 2HD1 LEU 25 7.018 1.143 3.818 223 3HD1 LEU 25 3HD1 LEU 25 6.874 -0.582 3.432 224 1HD2 LEU 25 1HD2 LEU 25 6.531 -2.260 5.396 225 2HD2 LEU 25 2HD2 LEU 25 6.014 -1.610 6.950 226 3HD2 LEU 25 3HD2 LEU 25 4.961 -1.430 5.531 227 H LYS 26 H LYS 26 10.707 1.130 6.996 228 HA LYS 26 HA LYS 26 12.105 -1.157 7.950 229 1HB LYS 26 1HB LYS 26 12.899 1.557 7.043 230 2HB LYS 26 2HB LYS 26 14.027 0.814 8.168 231 1HG LYS 26 1HG LYS 26 13.027 -0.690 5.711 232 2HG LYS 26 2HG LYS 26 14.376 0.427 5.649 233 1HD LYS 26 1HD LYS 26 15.337 -1.718 5.877 234 2HD LYS 26 2HD LYS 26 15.563 -0.888 7.419 235 1HE LYS 26 1HE LYS 26 13.665 -2.182 8.382 236 2HE LYS 26 2HE LYS 26 13.415 -2.977 6.827 237 1HZ LYS 26 1HZ LYS 26 15.746 -3.234 8.608 238 2HZ LYS 26 2HZ LYS 26 14.648 -4.413 8.208 239 3HZ LYS 26 3HZ LYS 26 15.717 -3.863 7.098 240 H GLU 27 H GLU 27 11.045 1.724 9.719 241 HA GLU 27 HA GLU 27 12.370 1.202 12.184 242 1HB GLU 27 1HB GLU 27 9.632 2.385 11.532 243 2HB GLU 27 2HB GLU 27 10.275 2.334 13.163 244 1HG GLU 27 1HG GLU 27 11.775 3.689 10.888 245 2HG GLU 27 2HG GLU 27 10.562 4.502 11.877 246 H LEU 28 H LEU 28 9.605 -0.314 10.651 247 HA LEU 28 HA LEU 28 9.046 -2.026 12.995 248 1HB LEU 28 1HB LEU 28 7.543 -1.510 10.406 249 2HB LEU 28 2HB LEU 28 6.975 -2.576 11.694 250 HG LEU 28 HG LEU 28 7.560 0.398 12.138 251 1HD1 LEU 28 1HD1 LEU 28 5.796 0.147 10.481 252 2HD1 LEU 28 2HD1 LEU 28 4.919 -0.967 11.555 253 3HD1 LEU 28 3HD1 LEU 28 5.149 0.738 12.018 254 1HD2 LEU 28 1HD2 LEU 28 6.227 0.091 14.173 255 2HD2 LEU 28 2HD2 LEU 28 6.072 -1.651 13.825 256 3HD2 LEU 28 3HD2 LEU 28 7.648 -0.930 14.192 257 H GLY 29 H GLY 29 11.288 -2.202 10.748 258 1HA GLY 29 1HA GLY 29 12.694 -4.037 10.572 259 2HA GLY 29 2HA GLY 29 11.362 -5.130 10.929 260 H PHE 30 H PHE 30 9.587 -3.893 8.831 261 HA PHE 30 HA PHE 30 10.295 -5.679 6.713 262 1HB PHE 30 1HB PHE 30 8.238 -3.484 7.046 263 2HB PHE 30 2HB PHE 30 8.508 -4.199 5.465 264 HD1 PHE 30 1HD PHE 30 6.564 -4.547 8.399 265 HD2 PHE 30 2HD PHE 30 8.609 -6.846 5.382 266 HE1 PHE 30 1HE PHE 30 5.021 -6.447 8.781 267 HE2 PHE 30 2HE PHE 30 7.012 -8.704 5.703 268 HZ PHE 30 HZ PHE 30 5.215 -8.523 7.415 269 H ASN 31 H ASN 31 11.185 -5.340 4.682 270 HA ASN 31 HA ASN 31 12.621 -2.777 4.300 271 1HB ASN 31 1HB ASN 31 14.644 -3.656 4.600 272 2HB ASN 31 2HB ASN 31 13.851 -4.932 5.506 273 1HD2 ASN 31 1HD2 ASN 31 12.993 -6.806 3.862 274 2HD2 ASN 31 2HD2 ASN 31 14.139 -7.285 2.639 275 H ASN 32 H ASN 32 13.894 -2.893 2.274 276 HA ASN 32 HA ASN 32 14.237 -3.026 0.195 277 1HB ASN 32 1HB ASN 32 14.165 -5.608 0.681 278 2HB ASN 32 2HB ASN 32 12.718 -5.563 -0.317 279 1HD2 ASN 32 1HD2 ASN 32 13.689 -6.647 -2.182 280 2HD2 ASN 32 2HD2 ASN 32 14.857 -5.721 -3.155 281 H VAL 33 H VAL 33 12.119 -1.482 0.972 282 HA VAL 33 HA VAL 33 9.899 -1.911 -0.711 283 HB VAL 33 HB VAL 33 8.901 -0.213 0.328 284 1HG1 VAL 33 1HG1 VAL 33 11.311 -0.211 2.182 285 2HG1 VAL 33 2HG1 VAL 33 9.642 0.243 2.557 286 3HG1 VAL 33 3HG1 VAL 33 10.015 -1.439 2.187 287 1HG2 VAL 33 1HG2 VAL 33 9.953 1.564 -0.899 288 2HG2 VAL 33 2HG2 VAL 33 9.813 1.987 0.783 289 3HG2 VAL 33 3HG2 VAL 33 11.401 1.469 0.123 290 H GLU 34 H GLU 34 9.144 -0.507 -2.410 291 HA GLU 34 HA GLU 34 11.212 0.032 -4.442 292 1HB GLU 34 1HB GLU 34 9.550 -2.314 -4.086 293 2HB GLU 34 2HB GLU 34 8.888 -1.431 -5.428 294 1HG GLU 34 1HG GLU 34 11.854 -2.049 -5.232 295 2HG GLU 34 2HG GLU 34 10.681 -3.183 -5.889 296 H GLU 35 H GLU 35 9.766 0.729 -6.533 297 HA GLU 35 HA GLU 35 7.882 2.837 -5.596 298 1HB GLU 35 1HB GLU 35 10.394 3.381 -5.537 299 2HB GLU 35 2HB GLU 35 10.381 3.199 -7.302 300 1HG GLU 35 1HG GLU 35 8.699 5.015 -7.446 301 2HG GLU 35 2HG GLU 35 8.615 5.063 -5.698 302 H ALA 36 H ALA 36 6.628 3.821 -7.289 303 HA ALA 36 HA ALA 36 7.066 3.033 -10.034 304 1HB ALA 36 1HB ALA 36 4.300 2.731 -8.795 305 2HB ALA 36 2HB ALA 36 4.749 2.423 -10.458 306 3HB ALA 36 3HB ALA 36 5.363 1.353 -9.192 307 H GLU 37 H GLU 37 5.653 4.491 -11.426 308 HA GLU 37 HA GLU 37 5.591 7.225 -10.569 309 1HB GLU 37 1HB GLU 37 4.052 5.818 -12.817 310 2HB GLU 37 2HB GLU 37 4.148 7.550 -12.570 311 1HG GLU 37 1HG GLU 37 6.807 6.911 -12.711 312 2HG GLU 37 2HG GLU 37 6.113 5.687 -13.782 313 H ASP 38 H ASP 38 3.050 4.708 -10.836 314 HA ASP 38 HA ASP 38 0.912 6.172 -9.504 315 1HB ASP 38 1HB ASP 38 0.825 7.453 -11.528 316 2HB ASP 38 2HB ASP 38 1.414 6.122 -12.494 317 H GLY 39 H GLY 39 -1.159 4.746 -9.910 318 1HA GLY 39 1HA GLY 39 -0.770 2.063 -9.321 319 2HA GLY 39 2HA GLY 39 -2.234 2.746 -9.994 320 H VAL 40 H VAL 40 -1.047 3.518 -12.692 321 HA VAL 40 HA VAL 40 -1.394 0.945 -13.933 322 HB VAL 40 HB VAL 40 -0.135 3.455 -15.121 323 1HG1 VAL 40 1HG1 VAL 40 0.150 1.321 -16.440 324 2HG1 VAL 40 2HG1 VAL 40 -1.609 1.149 -16.483 325 3HG1 VAL 40 3HG1 VAL 40 -0.817 2.535 -17.275 326 1HG2 VAL 40 1HG2 VAL 40 -2.443 3.960 -14.243 327 2HG2 VAL 40 2HG2 VAL 40 -2.311 4.084 -15.988 328 3HG2 VAL 40 3HG2 VAL 40 -3.077 2.654 -15.263 329 H ASP 41 H ASP 41 1.432 3.023 -13.321 330 HA ASP 41 HA ASP 41 3.410 1.214 -14.289 331 1HB ASP 41 1HB ASP 41 3.628 3.700 -13.979 332 2HB ASP 41 2HB ASP 41 3.723 3.438 -12.240 333 H ALA 42 H ALA 42 1.757 1.528 -11.140 334 HA ALA 42 HA ALA 42 3.458 -0.106 -9.619 335 1HB ALA 42 1HB ALA 42 0.449 0.226 -9.244 336 2HB ALA 42 2HB ALA 42 1.649 -0.047 -8.003 337 3HB ALA 42 3HB ALA 42 1.583 1.519 -8.848 338 H LEU 43 H LEU 43 0.532 -0.826 -11.580 339 HA LEU 43 HA LEU 43 0.409 -3.606 -10.804 340 1HB LEU 43 1HB LEU 43 -1.441 -2.153 -11.944 341 2HB LEU 43 2HB LEU 43 -0.555 -2.444 -13.439 342 HG LEU 43 HG LEU 43 -0.710 -4.999 -12.714 343 1HD1 LEU 43 1HD1 LEU 43 -3.065 -3.855 -11.174 344 2HD1 LEU 43 2HD1 LEU 43 -2.678 -5.573 -11.419 345 3HD1 LEU 43 3HD1 LEU 43 -1.610 -4.564 -10.439 346 1HD2 LEU 43 1HD2 LEU 43 -1.788 -4.115 -14.704 347 2HD2 LEU 43 2HD2 LEU 43 -2.917 -5.182 -13.854 348 3HD2 LEU 43 3HD2 LEU 43 -3.093 -3.412 -13.739 349 H ASN 44 H ASN 44 1.838 -1.837 -13.546 350 HA ASN 44 HA ASN 44 3.091 -3.970 -14.879 351 1HB ASN 44 1HB ASN 44 3.759 -1.036 -14.586 352 2HB ASN 44 2HB ASN 44 4.853 -2.121 -15.439 353 1HD2 ASN 44 1HD2 ASN 44 4.311 -0.400 -17.125 354 2HD2 ASN 44 2HD2 ASN 44 2.928 -0.720 -18.139 355 H LYS 45 H LYS 45 4.270 -2.136 -12.006 356 HA LYS 45 HA LYS 45 6.752 -3.602 -11.739 357 1HB LYS 45 1HB LYS 45 5.153 -1.744 -10.028 358 2HB LYS 45 2HB LYS 45 5.962 -3.011 -9.120 359 1HG LYS 45 1HG LYS 45 7.398 -1.093 -9.181 360 2HG LYS 45 2HG LYS 45 8.128 -2.395 -10.122 361 1HD LYS 45 1HD LYS 45 7.340 -1.389 -12.188 362 2HD LYS 45 2HD LYS 45 6.593 -0.042 -11.272 363 1HE LYS 45 1HE LYS 45 8.753 0.684 -10.492 364 2HE LYS 45 2HE LYS 45 9.548 -0.751 -11.152 365 1HZ LYS 45 1HZ LYS 45 9.879 1.127 -12.554 366 2HZ LYS 45 2HZ LYS 45 8.936 0.041 -13.367 367 3HZ LYS 45 3HZ LYS 45 8.276 1.410 -12.729 368 H LEU 46 H LEU 46 3.636 -4.010 -9.978 369 HA LEU 46 HA LEU 46 4.421 -6.106 -8.512 370 1HB LEU 46 1HB LEU 46 1.862 -4.890 -9.269 371 2HB LEU 46 2HB LEU 46 1.648 -6.617 -9.149 372 HG LEU 46 HG LEU 46 1.176 -5.534 -7.017 373 1HD1 LEU 46 1HD1 LEU 46 1.981 -7.802 -7.035 374 2HD1 LEU 46 2HD1 LEU 46 3.661 -7.280 -6.999 375 3HD1 LEU 46 3HD1 LEU 46 2.627 -6.949 -5.611 376 1HD2 LEU 46 1HD2 LEU 46 4.081 -4.574 -7.077 377 2HD2 LEU 46 2HD2 LEU 46 2.620 -3.597 -7.137 378 3HD2 LEU 46 3HD2 LEU 46 2.996 -4.511 -5.678 379 H GLN 47 H GLN 47 2.880 -6.444 -11.690 380 HA GLN 47 HA GLN 47 2.777 -9.282 -11.524 381 1HB GLN 47 1HB GLN 47 1.975 -9.235 -13.751 382 2HB GLN 47 2HB GLN 47 1.279 -7.864 -12.884 383 1HG GLN 47 1HG GLN 47 3.113 -6.424 -13.977 384 2HG GLN 47 2HG GLN 47 3.495 -7.817 -14.981 385 1HE2 GLN 47 1HE2 GLN 47 0.565 -8.675 -15.225 386 2HE2 GLN 47 2HE2 GLN 47 -0.073 -7.561 -16.395 387 H ALA 48 H ALA 48 5.604 -7.493 -11.802 388 HA ALA 48 HA ALA 48 7.001 -9.359 -13.593 389 1HB ALA 48 1HB ALA 48 7.630 -6.948 -13.461 390 2HB ALA 48 2HB ALA 48 8.082 -7.197 -11.757 391 3HB ALA 48 3HB ALA 48 8.969 -8.037 -13.035 392 H GLY 49 H GLY 49 5.994 -9.486 -10.248 393 1HA GLY 49 1HA GLY 49 7.506 -11.861 -9.788 394 2HA GLY 49 2HA GLY 49 8.436 -10.479 -9.187 395 H GLY 50 H GLY 50 5.085 -9.883 -8.590 396 1HA GLY 50 1HA GLY 50 3.854 -10.074 -6.647 397 2HA GLY 50 2HA GLY 50 4.769 -11.547 -6.314 398 H TYR 51 H TYR 51 4.923 -8.072 -6.178 399 HA TYR 51 HA TYR 51 7.006 -7.757 -4.156 400 1HB TYR 51 1HB TYR 51 4.844 -5.911 -5.234 401 2HB TYR 51 2HB TYR 51 6.058 -5.465 -4.070 402 HD1 TYR 51 1HD TYR 51 7.251 -3.777 -5.088 403 HD2 TYR 51 2HD TYR 51 6.461 -7.321 -7.459 404 HE1 TYR 51 1HE TYR 51 8.666 -2.941 -6.929 405 HE2 TYR 51 2HE TYR 51 8.027 -6.543 -9.148 406 HH TYR 51 HH TYR 51 9.884 -3.460 -8.737 407 H GLY 52 H GLY 52 6.506 -8.615 -2.158 408 1HA GLY 52 1HA GLY 52 4.033 -9.786 -1.609 409 2HA GLY 52 2HA GLY 52 5.300 -9.490 -0.431 410 H PHE 53 H PHE 53 4.703 -6.440 -1.344 411 HA PHE 53 HA PHE 53 2.166 -6.011 0.054 412 1HB PHE 53 1HB PHE 53 4.848 -5.173 1.040 413 2HB PHE 53 2HB PHE 53 3.685 -3.871 0.933 414 HD1 PHE 53 1HD PHE 53 4.164 -7.289 2.366 415 HD2 PHE 53 2HD PHE 53 2.065 -3.534 2.588 416 HE1 PHE 53 1HE PHE 53 3.266 -7.926 4.589 417 HE2 PHE 53 2HE PHE 53 1.224 -4.119 4.811 418 HZ PHE 53 HZ PHE 53 1.791 -6.369 5.824 419 H VAL 54 H VAL 54 1.047 -4.382 -0.825 420 HA VAL 54 HA VAL 54 2.307 -2.821 -3.030 421 HB VAL 54 HB VAL 54 -0.554 -3.807 -2.991 422 1HG1 VAL 54 1HG1 VAL 54 -0.097 -3.889 -5.507 423 2HG1 VAL 54 2HG1 VAL 54 -0.095 -2.271 -4.782 424 3HG1 VAL 54 3HG1 VAL 54 1.426 -3.091 -5.169 425 1HG2 VAL 54 1HG2 VAL 54 1.743 -5.503 -3.960 426 2HG2 VAL 54 2HG2 VAL 54 0.619 -5.860 -2.623 427 3HG2 VAL 54 3HG2 VAL 54 -0.008 -5.735 -4.255 428 H ILE 55 H ILE 55 2.595 -0.864 -1.833 429 HA ILE 55 HA ILE 55 0.243 0.129 -0.337 430 HB ILE 55 HB ILE 55 3.129 0.917 0.091 431 1HG1 ILE 55 1HG1 ILE 55 1.582 -1.355 1.414 432 2HG1 ILE 55 2HG1 ILE 55 3.033 -1.505 0.423 433 1HG2 ILE 55 1HG2 ILE 55 1.392 2.462 0.932 434 2HG2 ILE 55 2HG2 ILE 55 0.655 1.142 1.860 435 3HG2 ILE 55 3HG2 ILE 55 2.287 1.728 2.256 436 1HD1 ILE 55 1HD1 ILE 55 4.369 -0.368 2.094 437 2HD1 ILE 55 2HD1 ILE 55 2.951 -0.255 3.184 438 3HD1 ILE 55 3HD1 ILE 55 3.595 -1.828 2.728 439 H SER 56 H SER 56 -0.763 1.960 -1.103 440 HA SER 56 HA SER 56 0.795 3.698 -2.894 441 1HB SER 56 1HB SER 56 -0.801 3.613 -4.701 442 2HB SER 56 2HB SER 56 -0.235 1.970 -4.368 443 HG SER 56 HG SER 56 -2.715 3.178 -3.768 444 H ASP 57 H ASP 57 -0.499 5.638 -3.514 445 HA ASP 57 HA ASP 57 -2.187 6.638 -1.314 446 1HB ASP 57 1HB ASP 57 -0.676 8.018 -3.042 447 2HB ASP 57 2HB ASP 57 -2.147 7.969 -4.016 448 H TRP 58 H TRP 58 -4.327 7.470 -2.105 449 HA TRP 58 HA TRP 58 -5.942 5.492 -3.619 450 1HB TRP 58 1HB TRP 58 -6.699 6.354 -1.370 451 2HB TRP 58 2HB TRP 58 -6.665 7.989 -2.014 452 HD1 TRP 58 HD TRP 58 -8.670 8.786 -3.487 453 HE1 TRP 58 1HE TRP 58 -10.986 7.836 -3.894 454 HE3 TRP 58 3HE TRP 58 -7.897 4.165 -1.585 455 HZ2 TRP 58 2HZ TRP 58 -12.389 5.308 -3.413 456 HZ3 TRP 58 3HZ TRP 58 -9.790 2.536 -1.419 457 HH2 TRP 58 HH TRP 58 -11.989 3.107 -2.290 458 H ASN 59 H ASN 59 -4.952 8.906 -3.318 459 HA ASN 59 HA ASN 59 -6.655 9.718 -5.516 460 1HB ASN 59 1HB ASN 59 -6.508 10.827 -3.288 461 2HB ASN 59 2HB ASN 59 -4.845 11.296 -3.630 462 1HD2 ASN 59 1HD2 ASN 59 -4.576 13.241 -4.692 463 2HD2 ASN 59 2HD2 ASN 59 -5.881 14.233 -5.280 464 H MET 60 H MET 60 -5.326 8.450 -7.088 465 HA MET 60 HA MET 60 -3.169 10.169 -8.176 466 1HB MET 60 1HB MET 60 -2.409 7.943 -7.151 467 2HB MET 60 2HB MET 60 -3.272 7.146 -8.476 468 1HG MET 60 1HG MET 60 -0.932 7.411 -9.054 469 2HG MET 60 2HG MET 60 -1.915 8.442 -10.095 470 1HE MET 60 1HE MET 60 1.064 10.707 -10.158 471 2HE MET 60 2HE MET 60 1.225 8.947 -10.048 472 3HE MET 60 3HE MET 60 -0.096 9.662 -10.996 473 HA PRO 61 HA PRO 61 -6.464 10.598 -10.926 474 1HB PRO 61 1HB PRO 61 -5.397 12.134 -12.950 475 2HB PRO 61 2HB PRO 61 -5.624 12.709 -11.275 476 1HG PRO 61 1HG PRO 61 -3.103 11.559 -12.513 477 2HG PRO 61 2HG PRO 61 -3.288 13.090 -11.596 478 1HD PRO 61 1HD PRO 61 -2.436 10.826 -10.392 479 2HD PRO 61 2HD PRO 61 -3.570 11.927 -9.551 480 H ASN 62 H ASN 62 -4.229 8.267 -11.790 481 HA ASN 62 HA ASN 62 -5.432 7.870 -14.479 482 1HB ASN 62 1HB ASN 62 -2.651 7.146 -13.543 483 2HB ASN 62 2HB ASN 62 -3.414 6.418 -14.950 484 1HD2 ASN 62 1HD2 ASN 62 -2.737 9.684 -13.570 485 2HD2 ASN 62 2HD2 ASN 62 -2.525 10.475 -15.108 486 H MET 63 H MET 63 -3.604 5.444 -12.606 487 HA MET 63 HA MET 63 -6.175 3.968 -12.236 488 1HB MET 63 1HB MET 63 -4.412 2.704 -13.384 489 2HB MET 63 2HB MET 63 -3.370 2.908 -11.965 490 1HG MET 63 1HG MET 63 -5.077 1.749 -10.583 491 2HG MET 63 2HG MET 63 -6.093 1.556 -12.015 492 1HE MET 63 1HE MET 63 -3.931 0.607 -14.310 493 2HE MET 63 2HE MET 63 -4.156 -1.139 -14.111 494 3HE MET 63 3HE MET 63 -5.564 -0.058 -14.038 495 H ASP 64 H ASP 64 -6.924 5.325 -10.678 496 HA ASP 64 HA ASP 64 -5.614 6.100 -8.313 497 1HB ASP 64 1HB ASP 64 -7.548 7.103 -8.002 498 2HB ASP 64 2HB ASP 64 -8.189 6.327 -9.432 499 H GLY 65 H GLY 65 -5.896 5.250 -6.144 500 1HA GLY 65 1HA GLY 65 -4.728 2.700 -5.967 501 2HA GLY 65 2HA GLY 65 -5.446 3.580 -4.612 502 H LEU 66 H LEU 66 -8.213 3.591 -5.881 503 HA LEU 66 HA LEU 66 -8.967 1.041 -4.784 504 1HB LEU 66 1HB LEU 66 -10.277 3.294 -4.849 505 2HB LEU 66 2HB LEU 66 -10.789 2.816 -6.449 506 HG LEU 66 HG LEU 66 -12.279 2.382 -4.377 507 1HD1 LEU 66 1HD1 LEU 66 -13.342 0.389 -5.175 508 2HD1 LEU 66 2HD1 LEU 66 -12.979 1.504 -6.498 509 3HD1 LEU 66 3HD1 LEU 66 -11.968 0.060 -6.255 510 1HD2 LEU 66 1HD2 LEU 66 -10.501 1.147 -3.074 511 2HD2 LEU 66 2HD2 LEU 66 -12.056 0.308 -3.205 512 3HD2 LEU 66 3HD2 LEU 66 -10.707 -0.196 -4.222 513 H GLU 67 H GLU 67 -8.489 2.318 -8.052 514 HA GLU 67 HA GLU 67 -9.645 0.017 -9.383 515 1HB GLU 67 1HB GLU 67 -7.656 2.099 -10.386 516 2HB GLU 67 2HB GLU 67 -8.418 0.875 -11.396 517 1HG GLU 67 1HG GLU 67 -9.881 3.053 -9.866 518 2HG GLU 67 2HG GLU 67 -9.437 3.119 -11.561 519 H LEU 68 H LEU 68 -6.352 1.005 -8.345 520 HA LEU 68 HA LEU 68 -4.972 -1.231 -9.441 521 1HB LEU 68 1HB LEU 68 -3.892 0.823 -8.441 522 2HB LEU 68 2HB LEU 68 -4.333 0.233 -6.841 523 HG LEU 68 HG LEU 68 -2.940 -1.869 -7.281 524 1HD1 LEU 68 1HD1 LEU 68 -2.862 -2.037 -9.661 525 2HD1 LEU 68 2HD1 LEU 68 -2.388 -0.341 -9.850 526 3HD1 LEU 68 3HD1 LEU 68 -1.236 -1.501 -9.236 527 1HD2 LEU 68 1HD2 LEU 68 -0.789 -0.731 -6.960 528 2HD2 LEU 68 2HD2 LEU 68 -1.495 0.807 -7.519 529 3HD2 LEU 68 3HD2 LEU 68 -2.057 0.057 -6.015 530 H LEU 69 H LEU 69 -6.453 -0.727 -6.240 531 HA LEU 69 HA LEU 69 -6.058 -3.274 -5.106 532 1HB LEU 69 1HB LEU 69 -6.830 -1.729 -3.605 533 2HB LEU 69 2HB LEU 69 -7.981 -1.025 -4.723 534 HG LEU 69 HG LEU 69 -9.619 -2.600 -4.356 535 1HD1 LEU 69 1HD1 LEU 69 -9.624 -4.584 -3.129 536 2HD1 LEU 69 2HD1 LEU 69 -8.079 -4.719 -3.972 537 3HD1 LEU 69 3HD1 LEU 69 -8.123 -4.236 -2.293 538 1HD2 LEU 69 1HD2 LEU 69 -8.234 -1.884 -1.754 539 2HD2 LEU 69 2HD2 LEU 69 -9.395 -0.877 -2.585 540 3HD2 LEU 69 3HD2 LEU 69 -9.934 -2.385 -1.844 541 H LYS 70 H LYS 70 -8.977 -2.130 -6.937 542 HA LYS 70 HA LYS 70 -10.082 -4.767 -6.858 543 1HB LYS 70 1HB LYS 70 -10.707 -2.392 -8.644 544 2HB LYS 70 2HB LYS 70 -11.555 -3.944 -8.752 545 1HG LYS 70 1HG LYS 70 -12.040 -3.784 -6.276 546 2HG LYS 70 2HG LYS 70 -11.426 -2.124 -6.304 547 1HD LYS 70 1HD LYS 70 -13.176 -1.464 -7.900 548 2HD LYS 70 2HD LYS 70 -13.575 -3.169 -8.168 549 1HE LYS 70 1HE LYS 70 -14.191 -3.267 -5.682 550 2HE LYS 70 2HE LYS 70 -14.237 -1.493 -5.745 551 1HZ LYS 70 1HZ LYS 70 -15.757 -3.191 -7.627 552 2HZ LYS 70 2HZ LYS 70 -16.379 -2.691 -6.174 553 3HZ LYS 70 3HZ LYS 70 -15.968 -1.599 -7.321 554 H THR 71 H THR 71 -7.773 -3.432 -9.173 555 HA THR 71 HA THR 71 -8.065 -5.475 -11.169 556 HB THR 71 HB THR 71 -5.589 -3.871 -10.354 557 HG1 THR 71 1HG THR 71 -7.122 -2.442 -10.895 558 1HG2 THR 71 1HG2 THR 71 -4.990 -5.712 -11.835 559 2HG2 THR 71 2HG2 THR 71 -6.345 -5.315 -12.912 560 3HG2 THR 71 3HG2 THR 71 -4.983 -4.192 -12.753 561 H ILE 72 H ILE 72 -5.877 -5.139 -8.325 562 HA ILE 72 HA ILE 72 -4.753 -7.778 -8.545 563 HB ILE 72 HB ILE 72 -4.836 -5.456 -6.576 564 1HG1 ILE 72 1HG1 ILE 72 -2.611 -6.885 -8.104 565 2HG1 ILE 72 2HG1 ILE 72 -3.387 -5.379 -8.580 566 1HG2 ILE 72 1HG2 ILE 72 -3.415 -6.506 -4.976 567 2HG2 ILE 72 2HG2 ILE 72 -4.885 -7.462 -5.111 568 3HG2 ILE 72 3HG2 ILE 72 -3.383 -7.996 -5.891 569 1HD1 ILE 72 1HD1 ILE 72 -1.202 -4.949 -7.667 570 2HD1 ILE 72 2HD1 ILE 72 -2.427 -4.249 -6.591 571 3HD1 ILE 72 3HD1 ILE 72 -1.592 -5.762 -6.156 572 H ARG 73 H ARG 73 -7.401 -6.500 -6.602 573 HA ARG 73 HA ARG 73 -8.145 -8.997 -5.451 574 1HB ARG 73 1HB ARG 73 -8.949 -6.256 -5.222 575 2HB ARG 73 2HB ARG 73 -10.399 -7.144 -5.533 576 1HG ARG 73 1HG ARG 73 -8.363 -7.943 -3.418 577 2HG ARG 73 2HG ARG 73 -9.723 -6.882 -3.074 578 1HD ARG 73 1HD ARG 73 -10.126 -9.638 -4.269 579 2HD ARG 73 2HD ARG 73 -9.973 -9.392 -2.540 580 HE ARG 73 HE ARG 73 -11.894 -7.849 -2.639 581 1HH1 ARG 73 2HH2 ARG 73 -11.674 -9.973 -5.463 582 2HH1 ARG 73 1HH2 ARG 73 -13.328 -10.471 -5.437 583 1HH2 ARG 73 2HH1 ARG 73 -14.083 -8.618 -2.476 584 2HH2 ARG 73 1HH1 ARG 73 -14.660 -9.795 -3.618 585 H ALA 74 H ALA 74 -8.155 -8.555 -8.692 586 HA ALA 74 HA ALA 74 -10.824 -8.939 -9.508 587 1HB ALA 74 1HB ALA 74 -8.229 -9.904 -10.777 588 2HB ALA 74 2HB ALA 74 -9.824 -9.958 -11.556 589 3HB ALA 74 3HB ALA 74 -9.117 -8.395 -11.124 590 H ASP 75 H ASP 75 -8.517 -11.183 -8.225 591 HA ASP 75 HA ASP 75 -9.441 -12.919 -6.774 592 1HB ASP 75 1HB ASP 75 -11.103 -13.756 -9.178 593 2HB ASP 75 2HB ASP 75 -10.560 -14.886 -7.966 594 H GLY 76 H GLY 76 -9.125 -14.141 -10.069 595 1HA GLY 76 1HA GLY 76 -7.145 -16.067 -9.329 596 2HA GLY 76 2HA GLY 76 -7.832 -15.794 -10.931 597 H ALA 77 H ALA 77 -6.048 -13.495 -8.852 598 HA ALA 77 HA ALA 77 -3.668 -13.640 -10.542 599 1HB ALA 77 1HB ALA 77 -5.224 -11.030 -10.165 600 2HB ALA 77 2HB ALA 77 -3.611 -11.200 -10.887 601 3HB ALA 77 3HB ALA 77 -5.006 -11.920 -11.685 602 H MET 78 H MET 78 -4.910 -11.258 -8.120 603 HA MET 78 HA MET 78 -2.563 -11.909 -6.370 604 1HB MET 78 1HB MET 78 -3.286 -9.302 -7.718 605 2HB MET 78 2HB MET 78 -1.988 -9.585 -6.536 606 1HG MET 78 1HG MET 78 -1.058 -11.302 -8.090 607 2HG MET 78 2HG MET 78 -2.174 -10.732 -9.317 608 1HE MET 78 1HE MET 78 -1.358 -9.215 -11.130 609 2HE MET 78 2HE MET 78 -2.267 -8.107 -10.081 610 3HE MET 78 3HE MET 78 -0.697 -7.609 -10.753 611 H SER 79 H SER 79 -5.819 -11.925 -5.952 612 HA SER 79 HA SER 79 -6.329 -9.875 -4.169 613 1HB SER 79 1HB SER 79 -7.315 -12.733 -3.908 614 2HB SER 79 2HB SER 79 -8.059 -11.292 -3.209 615 HG SER 79 HG SER 79 -9.138 -11.688 -4.990 616 H ALA 80 H ALA 80 -4.231 -12.657 -3.491 617 HA ALA 80 HA ALA 80 -4.409 -12.460 -0.620 618 1HB ALA 80 1HB ALA 80 -3.623 -14.466 -1.879 619 2HB ALA 80 2HB ALA 80 -2.149 -13.566 -2.333 620 3HB ALA 80 3HB ALA 80 -2.499 -13.921 -0.633 621 H LEU 81 H LEU 81 -3.083 -10.251 -2.860 622 HA LEU 81 HA LEU 81 -0.779 -9.458 -1.292 623 1HB LEU 81 1HB LEU 81 -2.222 -8.441 -3.745 624 2HB LEU 81 2HB LEU 81 -1.087 -7.398 -2.940 625 HG LEU 81 HG LEU 81 -0.438 -10.132 -4.069 626 1HD1 LEU 81 1HD1 LEU 81 0.458 -9.007 -5.920 627 2HD1 LEU 81 2HD1 LEU 81 -0.919 -7.938 -5.562 628 3HD1 LEU 81 3HD1 LEU 81 0.681 -7.514 -5.025 629 1HD2 LEU 81 1HD2 LEU 81 1.095 -9.707 -2.190 630 2HD2 LEU 81 2HD2 LEU 81 1.965 -9.341 -3.678 631 3HD2 LEU 81 3HD2 LEU 81 1.316 -8.028 -2.689 632 HA PRO 82 HA PRO 82 -3.244 -6.651 1.235 633 1HB PRO 82 1HB PRO 82 -1.260 -5.517 2.726 634 2HB PRO 82 2HB PRO 82 -1.897 -7.161 3.027 635 1HG PRO 82 1HG PRO 82 0.594 -6.374 1.517 636 2HG PRO 82 2HG PRO 82 0.399 -7.675 2.729 637 1HD PRO 82 1HD PRO 82 0.333 -8.108 0.009 638 2HD PRO 82 2HD PRO 82 -0.603 -9.106 1.161 639 H VAL 83 H VAL 83 -3.830 -5.443 -0.648 640 HA VAL 83 HA VAL 83 -2.197 -3.196 -1.530 641 HB VAL 83 HB VAL 83 -4.391 -2.442 -2.598 642 1HG1 VAL 83 1HG1 VAL 83 -2.956 -5.002 -3.368 643 2HG1 VAL 83 2HG1 VAL 83 -4.076 -4.128 -4.443 644 3HG1 VAL 83 3HG1 VAL 83 -2.597 -3.344 -3.892 645 1HG2 VAL 83 1HG2 VAL 83 -5.224 -5.300 -1.894 646 2HG2 VAL 83 2HG2 VAL 83 -6.006 -3.795 -1.346 647 3HG2 VAL 83 3HG2 VAL 83 -5.993 -4.243 -3.060 648 H LEU 84 H LEU 84 -1.771 -1.608 -0.168 649 HA LEU 84 HA LEU 84 -3.685 -1.009 2.046 650 1HB LEU 84 1HB LEU 84 -1.628 -2.077 2.780 651 2HB LEU 84 2HB LEU 84 -0.660 -0.885 1.914 652 HG LEU 84 HG LEU 84 -1.388 0.895 3.405 653 1HD1 LEU 84 1HD1 LEU 84 -2.763 0.365 5.450 654 2HD1 LEU 84 2HD1 LEU 84 -3.655 0.353 3.937 655 3HD1 LEU 84 3HD1 LEU 84 -3.186 -1.195 4.686 656 1HD2 LEU 84 1HD2 LEU 84 -0.568 -1.573 4.986 657 2HD2 LEU 84 2HD2 LEU 84 0.526 -0.506 4.079 658 3HD2 LEU 84 3HD2 LEU 84 -0.347 0.124 5.483 659 H MET 85 H MET 85 -4.696 0.855 1.849 660 HA MET 85 HA MET 85 -3.752 2.868 -0.107 661 1HB MET 85 1HB MET 85 -6.265 2.811 1.609 662 2HB MET 85 2HB MET 85 -5.950 3.883 0.253 663 1HG MET 85 1HG MET 85 -6.272 0.847 0.049 664 2HG MET 85 2HG MET 85 -7.541 2.026 -0.195 665 1HE MET 85 1HE MET 85 -4.373 0.801 -3.269 666 2HE MET 85 2HE MET 85 -3.760 1.375 -1.712 667 3HE MET 85 3HE MET 85 -4.820 -0.055 -1.779 668 H VAL 86 H VAL 86 -2.542 4.567 0.590 669 HA VAL 86 HA VAL 86 -2.733 5.517 3.411 670 HB VAL 86 HB VAL 86 -0.214 5.068 1.741 671 1HG1 VAL 86 1HG1 VAL 86 0.064 6.942 3.312 672 2HG1 VAL 86 2HG1 VAL 86 -0.491 5.917 4.660 673 3HG1 VAL 86 3HG1 VAL 86 1.021 5.554 3.808 674 1HG2 VAL 86 1HG2 VAL 86 -1.292 3.457 4.084 675 2HG2 VAL 86 2HG2 VAL 86 -1.006 2.913 2.414 676 3HG2 VAL 86 3HG2 VAL 86 0.360 3.331 3.439 677 H THR 87 H THR 87 -4.070 7.309 2.785 678 HA THR 87 HA THR 87 -3.063 8.925 0.498 679 HB THR 87 HB THR 87 -4.863 7.492 -0.107 680 HG1 THR 87 1HG THR 87 -4.792 9.412 -1.106 681 1HG2 THR 87 1HG2 THR 87 -6.525 8.806 2.070 682 2HG2 THR 87 2HG2 THR 87 -7.161 7.822 0.734 683 3HG2 THR 87 3HG2 THR 87 -6.091 7.088 1.928 684 H ALA 88 H ALA 88 -4.283 11.030 0.301 685 HA ALA 88 HA ALA 88 -4.167 12.639 2.792 686 1HB ALA 88 1HB ALA 88 -3.076 13.572 0.805 687 2HB ALA 88 2HB ALA 88 -4.559 13.354 -0.153 688 3HB ALA 88 3HB ALA 88 -4.534 14.517 1.177 689 H GLU 89 H GLU 89 -6.449 10.995 0.614 690 HA GLU 89 HA GLU 89 -8.660 12.768 1.163 691 1HB GLU 89 1HB GLU 89 -8.406 10.131 -0.336 692 2HB GLU 89 2HB GLU 89 -9.876 11.112 -0.256 693 1HG GLU 89 1HG GLU 89 -7.202 12.035 -1.397 694 2HG GLU 89 2HG GLU 89 -8.581 11.466 -2.344 695 H ALA 90 H ALA 90 -9.532 12.697 3.184 696 HA ALA 90 HA ALA 90 -10.000 10.141 4.556 697 1HB ALA 90 1HB ALA 90 -11.035 12.904 5.286 698 2HB ALA 90 2HB ALA 90 -10.927 11.463 6.307 699 3HB ALA 90 3HB ALA 90 -9.444 12.283 5.789 700 H LYS 91 H LYS 91 -11.455 11.218 1.867 701 HA LYS 91 HA LYS 91 -14.090 11.960 2.395 702 1HB LYS 91 1HB LYS 91 -12.890 11.968 0.143 703 2HB LYS 91 2HB LYS 91 -13.101 10.227 0.125 704 1HG LYS 91 1HG LYS 91 -14.880 10.875 -1.186 705 2HG LYS 91 2HG LYS 91 -15.648 10.700 0.381 706 1HD LYS 91 1HD LYS 91 -16.460 12.800 -0.067 707 2HD LYS 91 2HD LYS 91 -14.902 13.322 0.571 708 1HE LYS 91 1HE LYS 91 -14.855 14.454 -1.450 709 2HE LYS 91 2HE LYS 91 -14.097 12.937 -1.932 710 1HZ LYS 91 1HZ LYS 91 -16.436 12.225 -2.591 711 2HZ LYS 91 2HZ LYS 91 -16.903 13.748 -2.370 712 3HZ LYS 91 3HZ LYS 91 -15.768 13.419 -3.523 713 H LYS 92 H LYS 92 -15.687 10.849 3.508 714 HA LYS 92 HA LYS 92 -15.371 8.168 4.249 715 1HB LYS 92 1HB LYS 92 -17.484 10.146 4.584 716 2HB LYS 92 2HB LYS 92 -18.178 8.587 4.178 717 1HG LYS 92 1HG LYS 92 -18.012 8.508 6.532 718 2HG LYS 92 2HG LYS 92 -16.691 7.526 5.933 719 1HD LYS 92 1HD LYS 92 -15.696 8.679 7.640 720 2HD LYS 92 2HD LYS 92 -15.213 9.674 6.273 721 1HE LYS 92 1HE LYS 92 -17.643 10.216 8.064 722 2HE LYS 92 2HE LYS 92 -16.029 10.888 8.352 723 1HZ LYS 92 1HZ LYS 92 -17.725 11.458 6.000 724 2HZ LYS 92 2HZ LYS 92 -17.288 12.498 7.200 725 3HZ LYS 92 3HZ LYS 92 -16.164 11.944 6.174 726 H GLU 93 H GLU 93 -17.120 9.409 1.376 727 HA GLU 93 HA GLU 93 -18.046 6.954 0.410 728 1HB GLU 93 1HB GLU 93 -16.679 9.150 -1.195 729 2HB GLU 93 2HB GLU 93 -17.688 7.910 -1.896 730 1HG GLU 93 1HG GLU 93 -19.596 9.023 -1.501 731 2HG GLU 93 2HG GLU 93 -19.161 9.377 0.167 732 H ASN 94 H ASN 94 -14.655 8.111 0.477 733 HA ASN 94 HA ASN 94 -13.687 6.067 -1.363 734 1HB ASN 94 1HB ASN 94 -12.138 7.872 0.528 735 2HB ASN 94 2HB ASN 94 -11.442 6.732 -0.596 736 1HD2 ASN 94 1HD2 ASN 94 -13.737 7.704 -2.712 737 2HD2 ASN 94 2HD2 ASN 94 -12.954 9.221 -3.191 738 H ILE 95 H ILE 95 -13.860 6.644 2.193 739 HA ILE 95 HA ILE 95 -12.604 4.187 2.951 740 HB ILE 95 HB ILE 95 -14.656 5.934 4.374 741 1HG1 ILE 95 1HG1 ILE 95 -12.728 5.910 6.103 742 2HG1 ILE 95 2HG1 ILE 95 -11.722 5.240 4.827 743 1HG2 ILE 95 1HG2 ILE 95 -15.247 3.629 5.018 744 2HG2 ILE 95 2HG2 ILE 95 -13.551 3.260 5.353 745 3HG2 ILE 95 3HG2 ILE 95 -14.437 4.422 6.352 746 1HD1 ILE 95 1HD1 ILE 95 -12.076 7.320 3.494 747 2HD1 ILE 95 2HD1 ILE 95 -13.189 7.929 4.748 748 3HD1 ILE 95 3HD1 ILE 95 -11.480 7.712 5.104 749 H ILE 96 H ILE 96 -16.049 4.921 2.179 750 HA ILE 96 HA ILE 96 -17.095 2.302 2.421 751 HB ILE 96 HB ILE 96 -17.907 4.685 0.734 752 1HG1 ILE 96 1HG1 ILE 96 -20.157 4.081 1.922 753 2HG1 ILE 96 2HG1 ILE 96 -19.177 3.065 2.974 754 1HG2 ILE 96 1HG2 ILE 96 -18.315 2.879 -0.849 755 2HG2 ILE 96 2HG2 ILE 96 -19.093 1.904 0.417 756 3HG2 ILE 96 3HG2 ILE 96 -19.828 3.409 -0.177 757 1HD1 ILE 96 1HD1 ILE 96 -18.808 6.049 2.505 758 2HD1 ILE 96 2HD1 ILE 96 -19.649 5.322 3.882 759 3HD1 ILE 96 3HD1 ILE 96 -17.906 5.051 3.684 760 H ALA 97 H ALA 97 -15.733 3.925 -0.502 761 HA ALA 97 HA ALA 97 -16.003 1.785 -2.251 762 1HB ALA 97 1HB ALA 97 -15.473 4.004 -3.014 763 2HB ALA 97 2HB ALA 97 -13.949 4.014 -2.124 764 3HB ALA 97 3HB ALA 97 -14.156 2.931 -3.510 765 H ALA 98 H ALA 98 -13.176 2.578 -0.171 766 HA ALA 98 HA ALA 98 -11.576 0.415 -1.033 767 1HB ALA 98 1HB ALA 98 -10.841 2.392 0.437 768 2HB ALA 98 2HB ALA 98 -11.703 1.664 1.776 769 3HB ALA 98 3HB ALA 98 -10.315 0.813 1.070 770 H ALA 99 H ALA 99 -14.085 0.642 1.586 771 HA ALA 99 HA ALA 99 -13.796 -2.159 2.286 772 1HB ALA 99 1HB ALA 99 -15.768 -1.695 3.728 773 2HB ALA 99 2HB ALA 99 -14.602 -0.368 3.887 774 3HB ALA 99 3HB ALA 99 -16.047 -0.156 2.892 775 H GLN 100 H GLN 100 -15.463 -0.589 -0.330 776 HA GLN 100 HA GLN 100 -17.424 -2.684 -0.808 777 1HB GLN 100 1HB GLN 100 -16.354 -0.460 -2.584 778 2HB GLN 100 2HB GLN 100 -17.517 -1.649 -3.098 779 1HG GLN 100 1HG GLN 100 -17.838 0.604 -1.186 780 2HG GLN 100 2HG GLN 100 -18.794 0.185 -2.595 781 1HE2 GLN 100 1HE2 GLN 100 -18.275 -0.341 0.812 782 2HE2 GLN 100 2HE2 GLN 100 -19.674 -1.358 1.108 783 H ALA 101 H ALA 101 -14.261 -1.745 -2.252 784 HA ALA 101 HA ALA 101 -13.914 -4.155 -3.786 785 1HB ALA 101 1HB ALA 101 -12.715 -2.009 -4.208 786 2HB ALA 101 2HB ALA 101 -11.925 -2.151 -2.642 787 3HB ALA 101 3HB ALA 101 -11.592 -3.358 -3.916 788 H GLY 102 H GLY 102 -13.022 -3.204 -0.483 789 1HA GLY 102 1HA GLY 102 -12.645 -4.588 1.359 790 2HA GLY 102 2HA GLY 102 -12.475 -6.002 0.309 791 H ALA 103 H ALA 103 -10.915 -2.767 0.636 792 HA ALA 103 HA ALA 103 -8.334 -3.610 -0.216 793 1HB ALA 103 1HB ALA 103 -9.220 -1.179 0.120 794 2HB ALA 103 2HB ALA 103 -8.775 -1.396 1.817 795 3HB ALA 103 3HB ALA 103 -7.533 -1.523 0.541 796 H SER 104 H SER 104 -6.308 -3.697 1.131 797 HA SER 104 HA SER 104 -6.612 -5.599 3.244 798 1HB SER 104 1HB SER 104 -4.304 -5.602 3.371 799 2HB SER 104 2HB SER 104 -4.649 -5.228 1.689 800 HG SER 104 HG SER 104 -4.099 -3.175 1.964 801 H GLY 105 H GLY 105 -6.108 -2.061 3.086 802 1HA GLY 105 1HA GLY 105 -7.644 -1.483 5.367 803 2HA GLY 105 2HA GLY 105 -5.909 -1.423 5.781 804 H TYR 106 H TYR 106 -7.292 0.823 6.001 805 HA TYR 106 HA TYR 106 -6.457 2.565 3.755 806 1HB TYR 106 1HB TYR 106 -8.985 1.952 4.116 807 2HB TYR 106 2HB TYR 106 -8.884 2.952 5.551 808 HD1 TYR 106 1HD TYR 106 -8.823 2.867 1.859 809 HD2 TYR 106 2HD TYR 106 -8.799 5.425 5.348 810 HE1 TYR 106 1HE TYR 106 -9.430 4.818 0.453 811 HE2 TYR 106 2HE TYR 106 -9.388 7.351 3.906 812 HH TYR 106 HH TYR 106 -9.454 8.154 1.681 813 H VAL 107 H VAL 107 -5.244 4.299 4.427 814 HA VAL 107 HA VAL 107 -5.167 5.209 7.248 815 HB VAL 107 HB VAL 107 -2.820 4.563 5.410 816 1HG1 VAL 107 1HG1 VAL 107 -2.345 6.705 6.504 817 2HG1 VAL 107 2HG1 VAL 107 -2.806 6.029 8.082 818 3HG1 VAL 107 3HG1 VAL 107 -1.366 5.434 7.222 819 1HG2 VAL 107 1HG2 VAL 107 -2.044 3.177 7.308 820 2HG2 VAL 107 2HG2 VAL 107 -3.530 3.574 8.201 821 3HG2 VAL 107 3HG2 VAL 107 -3.603 2.619 6.698 822 H VAL 108 H VAL 108 -4.847 7.510 7.310 823 HA VAL 108 HA VAL 108 -4.891 8.882 4.731 824 HB VAL 108 HB VAL 108 -6.652 9.777 7.042 825 1HG1 VAL 108 1HG1 VAL 108 -6.543 10.492 4.070 826 2HG1 VAL 108 2HG1 VAL 108 -7.777 11.055 5.200 827 3HG1 VAL 108 3HG1 VAL 108 -6.121 11.563 5.430 828 1HG2 VAL 108 1HG2 VAL 108 -8.601 8.946 5.735 829 2HG2 VAL 108 2HG2 VAL 108 -7.466 8.159 4.606 830 3HG2 VAL 108 3HG2 VAL 108 -7.590 7.627 6.300 831 H LYS 109 H LYS 109 -4.045 11.102 5.050 832 HA LYS 109 HA LYS 109 -1.977 11.678 6.868 833 1HB LYS 109 1HB LYS 109 -2.699 12.987 4.847 834 2HB LYS 109 2HB LYS 109 -4.099 13.574 5.746 835 1HG LYS 109 1HG LYS 109 -2.583 14.725 7.357 836 2HG LYS 109 2HG LYS 109 -1.186 14.058 6.495 837 1HD LYS 109 1HD LYS 109 -2.298 15.219 4.378 838 2HD LYS 109 2HD LYS 109 -3.164 16.177 5.589 839 1HE LYS 109 1HE LYS 109 -1.058 16.967 6.534 840 2HE LYS 109 2HE LYS 109 -0.138 15.835 5.538 841 1HZ LYS 109 1HZ LYS 109 -0.104 18.061 4.623 842 2HZ LYS 109 2HZ LYS 109 -0.832 17.018 3.583 843 3HZ LYS 109 3HZ LYS 109 -1.736 18.078 4.452 844 HA PRO 110 HA PRO 110 -1.003 12.447 8.574 845 1HB PRO 110 1HB PRO 110 -0.421 12.647 11.181 846 2HB PRO 110 2HB PRO 110 -1.137 14.055 10.337 847 1HG PRO 110 1HG PRO 110 -2.590 11.964 12.006 848 2HG PRO 110 2HG PRO 110 -2.652 13.740 12.173 849 1HD PRO 110 1HD PRO 110 -4.493 12.294 10.697 850 2HD PRO 110 2HD PRO 110 -4.023 13.964 10.262 851 H PHE 111 H PHE 111 0.541 10.768 9.684 852 HA PHE 111 HA PHE 111 -0.499 8.457 11.011 853 1HB PHE 111 1HB PHE 111 -0.386 6.862 9.184 854 2HB PHE 111 2HB PHE 111 -1.534 8.074 8.721 855 HD1 PHE 111 1HD PHE 111 -0.943 9.671 6.849 856 HD2 PHE 111 2HD PHE 111 1.709 6.500 8.077 857 HE1 PHE 111 1HE PHE 111 0.372 9.957 4.764 858 HE2 PHE 111 2HE PHE 111 3.008 6.788 6.005 859 HZ PHE 111 HZ PHE 111 2.348 8.502 4.333 860 H THR 112 H THR 112 1.180 6.954 11.389 861 HA THR 112 HA THR 112 3.960 7.565 10.757 862 HB THR 112 HB THR 112 4.280 7.581 13.370 863 HG1 THR 112 1HG THR 112 2.601 8.330 14.536 864 1HG2 THR 112 1HG2 THR 112 4.331 9.935 13.460 865 2HG2 THR 112 2HG2 THR 112 4.768 9.475 11.818 866 3HG2 THR 112 3HG2 THR 112 3.149 10.095 12.136 867 H ALA 113 H ALA 113 5.235 5.943 12.473 868 HA ALA 113 HA ALA 113 4.540 3.324 11.634 869 1HB ALA 113 1HB ALA 113 6.358 4.256 13.874 870 2HB ALA 113 2HB ALA 113 6.224 2.588 13.303 871 3HB ALA 113 3HB ALA 113 6.830 3.847 12.210 872 H ALA 114 H ALA 114 3.640 5.219 14.518 873 HA ALA 114 HA ALA 114 2.407 3.402 16.135 874 1HB ALA 114 1HB ALA 114 0.846 5.194 16.757 875 2HB ALA 114 2HB ALA 114 2.462 5.876 16.491 876 3HB ALA 114 3HB ALA 114 1.203 6.074 15.258 877 H THR 115 H THR 115 1.000 4.620 13.050 878 HA THR 115 HA THR 115 -1.335 2.841 13.517 879 HB THR 115 HB THR 115 -1.392 5.401 12.878 880 HG1 THR 115 1HG THR 115 -3.132 3.364 12.527 881 1HG2 THR 115 1HG2 THR 115 -1.476 4.150 10.113 882 2HG2 THR 115 2HG2 THR 115 -1.833 5.828 10.557 883 3HG2 THR 115 3HG2 THR 115 -0.178 5.197 10.739 884 H LEU 116 H LEU 116 1.523 3.250 11.422 885 HA LEU 116 HA LEU 116 0.822 1.384 9.389 886 1HB LEU 116 1HB LEU 116 2.844 3.023 9.570 887 2HB LEU 116 2HB LEU 116 3.597 1.759 10.526 888 HG LEU 116 HG LEU 116 4.548 1.593 8.450 889 1HD1 LEU 116 1HD1 LEU 116 3.771 -0.592 9.364 890 2HD1 LEU 116 2HD1 LEU 116 2.381 -0.499 8.255 891 3HD1 LEU 116 3HD1 LEU 116 4.025 -0.569 7.612 892 1HD2 LEU 116 1HD2 LEU 116 1.860 1.600 7.031 893 2HD2 LEU 116 2HD2 LEU 116 3.032 2.946 7.075 894 3HD2 LEU 116 3HD2 LEU 116 3.457 1.425 6.289 895 H GLU 117 H GLU 117 2.464 0.927 12.588 896 HA GLU 117 HA GLU 117 2.886 -1.839 12.299 897 1HB GLU 117 1HB GLU 117 3.640 -1.781 14.536 898 2HB GLU 117 2HB GLU 117 4.056 -0.258 13.799 899 1HG GLU 117 1HG GLU 117 3.362 0.649 15.696 900 2HG GLU 117 2HG GLU 117 1.758 0.513 14.985 901 H GLU 118 H GLU 118 0.200 -0.051 13.783 902 HA GLU 118 HA GLU 118 -1.229 -2.327 14.726 903 1HB GLU 118 1HB GLU 118 -1.468 0.124 15.413 904 2HB GLU 118 2HB GLU 118 -2.244 0.408 13.869 905 1HG GLU 118 1HG GLU 118 -4.134 0.107 15.093 906 2HG GLU 118 2HG GLU 118 -3.863 -1.567 14.666 907 H LYS 119 H LYS 119 -1.266 -0.506 11.626 908 HA LYS 119 HA LYS 119 -3.454 -1.979 10.444 909 1HB LYS 119 1HB LYS 119 -1.212 -0.280 9.279 910 2HB LYS 119 2HB LYS 119 -2.455 -1.016 8.272 911 1HG LYS 119 1HG LYS 119 -3.254 0.719 10.643 912 2HG LYS 119 2HG LYS 119 -2.759 1.458 9.120 913 1HD LYS 119 1HD LYS 119 -4.562 0.436 7.922 914 2HD LYS 119 2HD LYS 119 -4.898 -0.674 9.263 915 1HE LYS 119 1HE LYS 119 -5.607 1.207 10.693 916 2HE LYS 119 2HE LYS 119 -5.266 2.351 9.390 917 1HZ LYS 119 1HZ LYS 119 -7.661 1.573 9.616 918 2HZ LYS 119 2HZ LYS 119 -7.019 1.542 8.140 919 3HZ LYS 119 3HZ LYS 119 -7.171 0.133 8.940 920 H LEU 120 H LEU 120 0.088 -2.420 10.394 921 HA LEU 120 HA LEU 120 0.169 -4.750 8.757 922 1HB LEU 120 1HB LEU 120 1.863 -3.775 11.050 923 2HB LEU 120 2HB LEU 120 2.165 -5.342 10.321 924 HG LEU 120 HG LEU 120 2.239 -2.696 8.833 925 1HD1 LEU 120 1HD1 LEU 120 4.020 -2.851 10.530 926 2HD1 LEU 120 2HD1 LEU 120 4.503 -4.434 9.917 927 3HD1 LEU 120 3HD1 LEU 120 4.704 -2.980 8.905 928 1HD2 LEU 120 1HD2 LEU 120 1.787 -4.448 7.275 929 2HD2 LEU 120 2HD2 LEU 120 3.494 -4.053 7.114 930 3HD2 LEU 120 3HD2 LEU 120 3.004 -5.518 7.996 931 H ASN 121 H ASN 121 -0.282 -4.430 12.363 932 HA ASN 121 HA ASN 121 -0.623 -7.220 12.717 933 1HB ASN 121 1HB ASN 121 -0.182 -5.687 14.578 934 2HB ASN 121 2HB ASN 121 -1.825 -5.025 14.432 935 1HD2 ASN 121 1HD2 ASN 121 -3.397 -6.111 15.702 936 2HD2 ASN 121 2HD2 ASN 121 -3.253 -7.815 16.165 937 H LYS 122 H LYS 122 -3.081 -4.745 11.972 938 HA LYS 122 HA LYS 122 -5.348 -6.458 12.056 939 1HB LYS 122 1HB LYS 122 -4.751 -4.092 10.244 940 2HB LYS 122 2HB LYS 122 -6.293 -4.941 10.239 941 1HG LYS 122 1HG LYS 122 -6.797 -4.316 12.476 942 2HG LYS 122 2HG LYS 122 -5.165 -3.755 12.800 943 1HD LYS 122 1HD LYS 122 -6.193 -2.320 10.504 944 2HD LYS 122 2HD LYS 122 -7.419 -2.262 11.760 945 1HE LYS 122 1HE LYS 122 -4.536 -1.722 12.485 946 2HE LYS 122 2HE LYS 122 -5.408 -0.464 11.607 947 1HZ LYS 122 1HZ LYS 122 -6.455 -1.644 14.091 948 2HZ LYS 122 2HZ LYS 122 -5.487 -0.306 14.063 949 3HZ LYS 122 3HZ LYS 122 -6.942 -0.257 13.355 950 H ILE 123 H ILE 123 -3.124 -5.886 9.210 951 HA ILE 123 HA ILE 123 -4.585 -7.950 7.751 952 HB ILE 123 HB ILE 123 -2.810 -7.717 6.019 953 1HG1 ILE 123 1HG1 ILE 123 -1.663 -5.710 7.957 954 2HG1 ILE 123 2HG1 ILE 123 -0.871 -7.127 7.283 955 1HG2 ILE 123 1HG2 ILE 123 -4.129 -5.139 6.957 956 2HG2 ILE 123 2HG2 ILE 123 -3.625 -5.544 5.310 957 3HG2 ILE 123 3HG2 ILE 123 -4.934 -6.454 6.051 958 1HD1 ILE 123 1HD1 ILE 123 -1.706 -4.599 5.786 959 2HD1 ILE 123 2HD1 ILE 123 -0.094 -5.074 6.274 960 3HD1 ILE 123 3HD1 ILE 123 -0.950 -6.042 5.049 961 H PHE 124 H PHE 124 -1.765 -8.096 9.897 962 HA PHE 124 HA PHE 124 -0.932 -10.730 9.212 963 1HB PHE 124 1HB PHE 124 -1.123 -9.440 11.951 964 2HB PHE 124 2HB PHE 124 -0.350 -10.962 11.602 965 HD1 PHE 124 1HD PHE 124 1.012 -9.701 8.894 966 HD2 PHE 124 2HD PHE 124 0.933 -8.733 13.084 967 HE1 PHE 124 1HE PHE 124 3.147 -8.513 8.650 968 HE2 PHE 124 2HE PHE 124 3.076 -7.530 12.847 969 HZ PHE 124 HZ PHE 124 4.205 -7.416 10.641 970 H GLU 125 H GLU 125 -3.309 -9.631 11.679 971 HA GLU 125 HA GLU 125 -4.130 -12.291 12.174 972 1HB GLU 125 1HB GLU 125 -5.436 -9.576 12.755 973 2HB GLU 125 2HB GLU 125 -6.057 -11.096 13.402 974 1HG GLU 125 1HG GLU 125 -3.957 -11.483 14.626 975 2HG GLU 125 2HG GLU 125 -3.258 -10.011 13.954 976 H LYS 126 H LYS 126 -5.532 -9.752 10.157 977 HA LYS 126 HA LYS 126 -7.975 -11.203 9.629 978 1HB LYS 126 1HB LYS 126 -7.683 -8.693 9.413 979 2HB LYS 126 2HB LYS 126 -6.847 -8.953 7.902 980 1HG LYS 126 1HG LYS 126 -9.758 -9.508 8.592 981 2HG LYS 126 2HG LYS 126 -9.102 -8.327 7.471 982 1HD LYS 126 1HD LYS 126 -8.254 -10.701 6.316 983 2HD LYS 126 2HD LYS 126 -9.758 -11.197 7.050 984 1HE LYS 126 1HE LYS 126 -9.303 -8.901 5.083 985 2HE LYS 126 2HE LYS 126 -9.897 -10.512 4.667 986 1HZ LYS 126 1HZ LYS 126 -11.674 -9.032 4.801 987 2HZ LYS 126 2HZ LYS 126 -11.829 -10.066 6.078 988 3HZ LYS 126 3HZ LYS 126 -11.299 -8.499 6.303 989 H LEU 127 H LEU 127 -5.283 -10.363 7.333 990 HA LEU 127 HA LEU 127 -6.355 -12.172 5.376 991 1HB LEU 127 1HB LEU 127 -3.509 -11.166 5.327 992 2HB LEU 127 2HB LEU 127 -4.560 -11.600 4.004 993 HG LEU 127 HG LEU 127 -4.515 -9.033 5.596 994 1HD1 LEU 127 1HD1 LEU 127 -4.421 -9.601 2.606 995 2HD1 LEU 127 2HD1 LEU 127 -4.202 -8.026 3.393 996 3HD1 LEU 127 3HD1 LEU 127 -3.005 -9.309 3.619 997 1HD2 LEU 127 1HD2 LEU 127 -6.820 -9.305 5.499 998 2HD2 LEU 127 2HD2 LEU 127 -6.432 -8.282 4.129 999 3HD2 LEU 127 3HD2 LEU 127 -6.781 -10.002 3.858 1000 H GLY 128 H GLY 128 -3.924 -12.420 7.937 1001 1HA GLY 128 1HA GLY 128 -2.833 -14.394 8.673 1002 2HA GLY 128 2HA GLY 128 -3.138 -15.155 7.104 1003 H MET 129 H MET 129 -2.005 -11.729 7.590 1004 HA MET 129 HA MET 129 0.285 -12.369 5.792 1005 1HB MET 129 2HB MET 129 -0.425 -9.798 7.250 1006 2HB MET 129 3HB MET 129 1.061 -10.041 6.341 1007 1HG MET 129 2HG MET 129 -1.758 -9.955 5.326 1008 2HG MET 129 3HG MET 129 -0.447 -8.851 4.960 1009 1HE MET 129 1HE MET 129 1.804 -11.134 2.559 1010 2HE MET 129 2HE MET 129 1.711 -9.572 3.393 1011 3HE MET 129 3HE MET 129 1.962 -11.072 4.326 Start of MODEL 11 1 1H MET 1 H MET 1 22.957 -20.917 1.018 2 2H MET 1 2HN MET 1 22.535 -19.823 -0.147 3 3H MET 1 3HN MET 1 23.586 -19.390 1.040 4 HA MET 1 HA MET 1 20.770 -20.093 1.363 5 1HB MET 1 2HB MET 1 20.910 -19.465 3.658 6 2HB MET 1 3HB MET 1 22.139 -20.685 3.329 7 1HG MET 1 2HG MET 1 23.837 -18.830 3.165 8 2HG MET 1 3HG MET 1 22.590 -17.692 3.671 9 1HE MET 1 1HE MET 1 21.027 -19.170 6.053 10 2HE MET 1 2HE MET 1 22.012 -18.588 7.408 11 3HE MET 1 3HE MET 1 21.620 -17.493 6.067 12 H ALA 2 H ALA 2 19.283 -18.363 1.302 13 HA ALA 2 HA ALA 2 20.240 -15.645 1.381 14 1HB ALA 2 1HB ALA 2 18.761 -16.680 -1.084 15 2HB ALA 2 2HB ALA 2 19.241 -15.003 -0.769 16 3HB ALA 2 3HB ALA 2 20.483 -16.222 -1.056 17 H ASP 3 H ASP 3 17.911 -14.434 0.681 18 HA ASP 3 HA ASP 3 15.691 -15.809 2.058 19 1HB ASP 3 1HB ASP 3 16.425 -12.860 2.324 20 2HB ASP 3 2HB ASP 3 14.922 -13.592 2.888 21 H LYS 4 H LYS 4 13.668 -15.134 1.137 22 HA LYS 4 HA LYS 4 13.690 -14.567 -1.696 23 1HB LYS 4 1HB LYS 4 11.510 -14.473 0.417 24 2HB LYS 4 2HB LYS 4 11.216 -14.183 -1.306 25 1HG LYS 4 1HG LYS 4 11.855 -16.407 -1.924 26 2HG LYS 4 2HG LYS 4 12.598 -16.723 -0.355 27 1HD LYS 4 1HD LYS 4 10.489 -17.897 -0.437 28 2HD LYS 4 2HD LYS 4 10.406 -16.596 0.757 29 1HE LYS 4 1HE LYS 4 8.391 -16.353 -0.346 30 2HE LYS 4 2HE LYS 4 9.385 -15.170 -1.193 31 1HZ LYS 4 1HZ LYS 4 9.770 -17.075 -2.854 32 2HZ LYS 4 2HZ LYS 4 8.536 -17.838 -2.080 33 3HZ LYS 4 3HZ LYS 4 8.268 -16.405 -2.818 34 H GLU 5 H GLU 5 13.677 -12.585 1.146 35 HA GLU 5 HA GLU 5 13.679 -10.407 1.579 36 1HB GLU 5 1HB GLU 5 14.958 -10.218 -1.156 37 2HB GLU 5 2HB GLU 5 14.866 -8.877 -0.011 38 1HG GLU 5 1HG GLU 5 16.228 -10.094 1.614 39 2HG GLU 5 2HG GLU 5 16.297 -11.501 0.538 40 H LEU 6 H LEU 6 11.346 -11.163 1.219 41 HA LEU 6 HA LEU 6 9.567 -10.325 -0.698 42 1HB LEU 6 1HB LEU 6 8.894 -11.473 1.314 43 2HB LEU 6 2HB LEU 6 9.340 -10.102 2.322 44 HG LEU 6 HG LEU 6 7.467 -9.193 0.254 45 1HD1 LEU 6 1HD1 LEU 6 6.578 -11.338 0.028 46 2HD1 LEU 6 2HD1 LEU 6 6.636 -11.665 1.772 47 3HD1 LEU 6 3HD1 LEU 6 5.482 -10.487 1.132 48 1HD2 LEU 6 1HD2 LEU 6 7.860 -8.016 2.365 49 2HD2 LEU 6 2HD2 LEU 6 6.155 -8.449 2.198 50 3HD2 LEU 6 3HD2 LEU 6 7.220 -9.385 3.282 51 H LYS 7 H LYS 7 9.526 -8.498 -1.801 52 HA LYS 7 HA LYS 7 10.458 -5.956 -0.597 53 1HB LYS 7 1HB LYS 7 10.055 -6.981 -3.352 54 2HB LYS 7 2HB LYS 7 9.178 -5.484 -3.114 55 1HG LYS 7 1HG LYS 7 11.192 -4.687 -3.816 56 2HG LYS 7 2HG LYS 7 11.313 -4.509 -2.075 57 1HD LYS 7 1HD LYS 7 13.396 -5.377 -2.866 58 2HD LYS 7 2HD LYS 7 12.611 -6.717 -2.028 59 1HE LYS 7 1HE LYS 7 12.090 -7.845 -4.057 60 2HE LYS 7 2HE LYS 7 12.201 -6.354 -5.009 61 1HZ LYS 7 1HZ LYS 7 14.544 -7.721 -3.808 62 2HZ LYS 7 2HZ LYS 7 14.127 -7.772 -5.383 63 3HZ LYS 7 3HZ LYS 7 14.544 -6.343 -4.743 64 H PHE 8 H PHE 8 9.138 -4.177 -0.353 65 HA PHE 8 HA PHE 8 6.185 -4.544 -0.424 66 1HB PHE 8 1HB PHE 8 8.107 -2.673 0.969 67 2HB PHE 8 2HB PHE 8 6.510 -2.090 0.523 68 HD1 PHE 8 1HD PHE 8 5.319 -1.824 2.437 69 HD2 PHE 8 2HD PHE 8 7.646 -5.426 2.024 70 HE1 PHE 8 1HE PHE 8 4.294 -2.721 4.507 71 HE2 PHE 8 2HE PHE 8 6.622 -6.315 4.073 72 HZ PHE 8 HZ PHE 8 4.953 -4.976 5.336 73 H LEU 9 H LEU 9 5.105 -3.035 -1.849 74 HA LEU 9 HA LEU 9 6.861 -1.365 -3.558 75 1HB LEU 9 1HB LEU 9 5.568 -3.176 -4.829 76 2HB LEU 9 2HB LEU 9 4.091 -2.408 -4.251 77 HG LEU 9 HG LEU 9 4.992 -0.226 -5.318 78 1HD1 LEU 9 1HD1 LEU 9 7.347 -0.903 -5.637 79 2HD1 LEU 9 2HD1 LEU 9 6.846 -2.211 -6.713 80 3HD1 LEU 9 3HD1 LEU 9 6.601 -0.513 -7.180 81 1HD2 LEU 9 1HD2 LEU 9 3.164 -1.552 -6.280 82 2HD2 LEU 9 2HD2 LEU 9 4.197 -0.865 -7.534 83 3HD2 LEU 9 3HD2 LEU 9 4.346 -2.587 -7.118 84 H VAL 10 H VAL 10 6.428 0.810 -3.353 85 HA VAL 10 HA VAL 10 4.021 1.636 -1.807 86 HB VAL 10 HB VAL 10 6.830 2.733 -1.402 87 1HG1 VAL 10 1HG1 VAL 10 4.980 4.346 -0.952 88 2HG1 VAL 10 2HG1 VAL 10 4.230 3.187 0.143 89 3HG1 VAL 10 3HG1 VAL 10 5.818 3.890 0.527 90 1HG2 VAL 10 1HG2 VAL 10 5.243 0.799 0.338 91 2HG2 VAL 10 2HG2 VAL 10 6.809 0.493 -0.447 92 3HG2 VAL 10 3HG2 VAL 10 6.695 1.672 0.865 93 H VAL 11 H VAL 11 2.828 2.708 -3.289 94 HA VAL 11 HA VAL 11 4.243 4.601 -5.115 95 HB VAL 11 HB VAL 11 1.748 3.157 -6.052 96 1HG1 VAL 11 1HG1 VAL 11 2.598 5.197 -7.203 97 2HG1 VAL 11 2HG1 VAL 11 4.125 4.372 -7.508 98 3HG1 VAL 11 3HG1 VAL 11 2.617 3.753 -8.209 99 1HG2 VAL 11 1HG2 VAL 11 4.590 2.077 -6.227 100 2HG2 VAL 11 2HG2 VAL 11 3.155 1.278 -5.526 101 3HG2 VAL 11 3HG2 VAL 11 3.245 1.549 -7.254 102 H ASP 12 H ASP 12 3.797 5.832 -3.060 103 HA ASP 12 HA ASP 12 1.073 6.731 -2.713 104 1HB ASP 12 1HB ASP 12 3.568 8.183 -1.860 105 2HB ASP 12 2HB ASP 12 1.931 8.395 -1.239 106 H ASP 13 H ASP 13 0.391 9.067 -3.418 107 HA ASP 13 HA ASP 13 1.164 9.522 -6.173 108 1HB ASP 13 1HB ASP 13 -1.039 10.199 -5.560 109 2HB ASP 13 2HB ASP 13 -0.455 11.131 -4.171 110 H PHE 14 H PHE 14 1.699 11.335 -3.175 111 HA PHE 14 HA PHE 14 3.621 13.157 -4.374 112 1HB PHE 14 1HB PHE 14 2.240 13.903 -2.549 113 2HB PHE 14 2HB PHE 14 2.723 12.559 -1.543 114 HD1 PHE 14 1HD PHE 14 4.724 15.029 -3.595 115 HD2 PHE 14 2HD PHE 14 3.850 13.453 0.336 116 HE1 PHE 14 1HE PHE 14 6.346 16.583 -2.606 117 HE2 PHE 14 2HE PHE 14 5.491 15.024 1.310 118 HZ PHE 14 HZ PHE 14 6.716 16.604 -0.134 119 H SER 15 H SER 15 5.608 12.431 -4.989 120 HA SER 15 HA SER 15 6.623 9.957 -4.582 121 1HB SER 15 1HB SER 15 8.627 12.151 -4.851 122 2HB SER 15 2HB SER 15 8.403 10.701 -5.836 123 HG SER 15 HG SER 15 6.997 11.765 -7.087 124 H THR 16 H THR 16 7.558 12.884 -2.667 125 HA THR 16 HA THR 16 9.380 11.598 -0.941 126 HB THR 16 HB THR 16 7.587 13.992 -0.455 127 HG1 THR 16 1HG THR 16 10.131 13.833 -1.702 128 1HG2 THR 16 1HG2 THR 16 9.479 14.867 0.912 129 2HG2 THR 16 2HG2 THR 16 8.710 13.444 1.598 130 3HG2 THR 16 3HG2 THR 16 10.263 13.269 0.766 131 H MET 17 H MET 17 5.795 11.500 -0.932 132 HA MET 17 HA MET 17 5.525 10.912 1.842 133 1HB MET 17 1HB MET 17 3.691 11.253 -0.170 134 2HB MET 17 2HB MET 17 3.648 9.507 0.036 135 1HG MET 17 1HG MET 17 3.448 9.975 2.545 136 2HG MET 17 2HG MET 17 3.174 11.659 2.102 137 1HE MET 17 1HE MET 17 1.261 10.884 -0.703 138 2HE MET 17 2HE MET 17 -0.295 11.229 0.067 139 3HE MET 17 3HE MET 17 1.080 12.323 0.338 140 H ARG 18 H ARG 18 6.622 9.004 -0.985 141 HA ARG 18 HA ARG 18 6.326 6.466 0.290 142 1HB ARG 18 1HB ARG 18 8.234 7.268 -1.920 143 2HB ARG 18 2HB ARG 18 7.664 5.643 -1.562 144 1HG ARG 18 1HG ARG 18 5.457 6.135 -2.368 145 2HG ARG 18 2HG ARG 18 5.756 7.882 -2.391 146 1HD ARG 18 1HD ARG 18 7.547 7.526 -4.087 147 2HD ARG 18 2HD ARG 18 7.003 5.838 -4.221 148 HE ARG 18 HE ARG 18 4.744 7.558 -4.542 149 1HH1 ARG 18 2HH2 ARG 18 7.777 7.029 -6.284 150 2HH1 ARG 18 1HH2 ARG 18 6.949 6.566 -7.747 151 1HH2 ARG 18 2HH1 ARG 18 3.791 7.684 -6.542 152 2HH2 ARG 18 1HH1 ARG 18 4.650 7.344 -8.013 153 H ARG 19 H ARG 19 8.834 8.982 0.422 154 HA ARG 19 HA ARG 19 10.753 7.357 1.910 155 1HB ARG 19 1HB ARG 19 10.312 10.372 2.158 156 2HB ARG 19 2HB ARG 19 11.628 9.436 2.822 157 1HG ARG 19 1HG ARG 19 11.166 10.054 -0.103 158 2HG ARG 19 2HG ARG 19 12.396 10.707 0.980 159 1HD ARG 19 1HD ARG 19 13.117 8.212 1.312 160 2HD ARG 19 2HD ARG 19 12.234 7.917 -0.193 161 HE ARG 19 HE ARG 19 14.828 9.096 0.156 162 1HH1 ARG 19 2HH2 ARG 19 12.023 9.273 -2.032 163 2HH1 ARG 19 1HH2 ARG 19 12.952 9.817 -3.369 164 1HH2 ARG 19 2HH1 ARG 19 16.023 9.830 -1.590 165 2HH2 ARG 19 1HH1 ARG 19 15.262 10.308 -3.071 166 H ILE 20 H ILE 20 8.074 9.591 2.760 167 HA ILE 20 HA ILE 20 8.379 9.342 5.540 168 HB ILE 20 HB ILE 20 6.175 10.288 3.755 169 1HG1 ILE 20 1HG1 ILE 20 6.391 12.308 5.233 170 2HG1 ILE 20 2HG1 ILE 20 7.680 11.497 6.116 171 1HG2 ILE 20 1HG2 ILE 20 5.752 9.722 6.700 172 2HG2 ILE 20 2HG2 ILE 20 4.743 10.806 5.719 173 3HG2 ILE 20 3HG2 ILE 20 4.811 9.101 5.319 174 1HD1 ILE 20 1HD1 ILE 20 7.681 12.248 3.169 175 2HD1 ILE 20 2HD1 ILE 20 8.554 13.100 4.446 176 3HD1 ILE 20 3HD1 ILE 20 9.046 11.463 4.008 177 H VAL 21 H VAL 21 5.901 7.586 3.562 178 HA VAL 21 HA VAL 21 5.048 5.734 5.428 179 HB VAL 21 HB VAL 21 5.416 5.510 2.405 180 1HG1 VAL 21 1HG1 VAL 21 3.933 3.602 4.278 181 2HG1 VAL 21 2HG1 VAL 21 3.757 3.640 2.507 182 3HG1 VAL 21 3HG1 VAL 21 5.310 3.211 3.216 183 1HG2 VAL 21 1HG2 VAL 21 2.958 5.851 2.392 184 2HG2 VAL 21 2HG2 VAL 21 2.965 5.981 4.157 185 3HG2 VAL 21 3HG2 VAL 21 3.777 7.211 3.145 186 H ARG 22 H ARG 22 7.873 5.305 3.133 187 HA ARG 22 HA ARG 22 8.554 2.759 4.126 188 1HB ARG 22 1HB ARG 22 9.588 3.765 2.089 189 2HB ARG 22 2HB ARG 22 10.478 4.891 3.125 190 1HG ARG 22 1HG ARG 22 11.266 2.533 4.288 191 2HG ARG 22 2HG ARG 22 10.821 1.918 2.726 192 1HD ARG 22 1HD ARG 22 13.149 2.380 2.822 193 2HD ARG 22 2HD ARG 22 12.420 3.531 1.685 194 HE ARG 22 HE ARG 22 12.458 4.834 4.156 195 1HH1 ARG 22 2HH2 ARG 22 14.931 3.248 2.161 196 2HH1 ARG 22 1HH2 ARG 22 16.122 4.495 2.413 197 1HH2 ARG 22 2HH1 ARG 22 14.129 6.261 4.790 198 2HH2 ARG 22 1HH1 ARG 22 15.754 6.036 4.181 199 H ASN 23 H ASN 23 9.630 6.048 5.409 200 HA ASN 23 HA ASN 23 11.501 5.067 7.214 201 1HB ASN 23 1HB ASN 23 9.792 7.563 7.036 202 2HB ASN 23 2HB ASN 23 10.968 7.258 8.283 203 1HD2 ASN 23 1HD2 ASN 23 11.115 9.480 6.464 204 2HD2 ASN 23 2HD2 ASN 23 12.565 9.272 5.514 205 H LEU 24 H LEU 24 7.993 5.731 7.513 206 HA LEU 24 HA LEU 24 7.813 5.101 10.310 207 1HB LEU 24 1HB LEU 24 5.727 5.082 8.111 208 2HB LEU 24 2HB LEU 24 5.351 4.971 9.825 209 HG LEU 24 HG LEU 24 6.921 7.357 8.753 210 1HD1 LEU 24 1HD1 LEU 24 4.708 8.500 8.506 211 2HD1 LEU 24 2HD1 LEU 24 4.937 7.162 7.364 212 3HD1 LEU 24 3HD1 LEU 24 3.926 6.931 8.803 213 1HD2 LEU 24 1HD2 LEU 24 6.645 6.991 11.300 214 2HD2 LEU 24 2HD2 LEU 24 6.121 8.548 10.641 215 3HD2 LEU 24 3HD2 LEU 24 4.922 7.332 11.021 216 H LEU 25 H LEU 25 7.414 3.124 7.326 217 HA LEU 25 HA LEU 25 6.749 0.659 8.566 218 1HB LEU 25 1HB LEU 25 7.724 1.631 5.949 219 2HB LEU 25 2HB LEU 25 8.421 0.076 6.339 220 HG LEU 25 HG LEU 25 5.452 0.547 6.621 221 1HD1 LEU 25 1HD1 LEU 25 5.160 -0.312 4.358 222 2HD1 LEU 25 2HD1 LEU 25 6.013 1.238 4.354 223 3HD1 LEU 25 3HD1 LEU 25 6.913 -0.271 4.087 224 1HD2 LEU 25 1HD2 LEU 25 7.047 -1.957 5.912 225 2HD2 LEU 25 2HD2 LEU 25 6.611 -1.524 7.581 226 3HD2 LEU 25 3HD2 LEU 25 5.338 -1.858 6.395 227 H LYS 26 H LYS 26 9.937 1.749 7.425 228 HA LYS 26 HA LYS 26 11.258 -0.498 8.452 229 1HB LYS 26 1HB LYS 26 13.306 0.544 7.737 230 2HB LYS 26 2HB LYS 26 12.021 0.761 6.558 231 1HG LYS 26 1HG LYS 26 12.914 2.846 6.462 232 2HG LYS 26 2HG LYS 26 11.695 3.069 7.706 233 1HD LYS 26 1HD LYS 26 13.661 4.237 8.351 234 2HD LYS 26 2HD LYS 26 13.386 2.891 9.462 235 1HE LYS 26 1HE LYS 26 15.030 1.537 8.091 236 2HE LYS 26 2HE LYS 26 15.387 2.993 7.155 237 1HZ LYS 26 1HZ LYS 26 16.887 2.493 9.053 238 2HZ LYS 26 2HZ LYS 26 16.266 4.006 9.133 239 3HZ LYS 26 3HZ LYS 26 15.653 2.823 10.094 240 H GLU 27 H GLU 27 10.513 2.553 10.132 241 HA GLU 27 HA GLU 27 12.515 2.221 12.104 242 1HB GLU 27 1HB GLU 27 11.478 3.816 13.357 243 2HB GLU 27 2HB GLU 27 11.175 4.302 11.708 244 1HG GLU 27 1HG GLU 27 8.964 4.356 12.061 245 2HG GLU 27 2HG GLU 27 8.929 2.706 12.676 246 H LEU 28 H LEU 28 9.711 0.252 11.577 247 HA LEU 28 HA LEU 28 10.447 -1.338 13.937 248 1HB LEU 28 1HB LEU 28 8.053 -1.539 14.622 249 2HB LEU 28 2HB LEU 28 8.813 0.007 14.907 250 HG LEU 28 HG LEU 28 7.652 0.932 12.869 251 1HD1 LEU 28 1HD1 LEU 28 7.125 -1.059 11.588 252 2HD1 LEU 28 2HD1 LEU 28 6.141 -1.702 12.928 253 3HD1 LEU 28 3HD1 LEU 28 5.645 -0.233 12.044 254 1HD2 LEU 28 1HD2 LEU 28 6.870 1.317 15.148 255 2HD2 LEU 28 2HD2 LEU 28 5.510 1.177 14.033 256 3HD2 LEU 28 3HD2 LEU 28 5.919 -0.184 15.095 257 H GLY 29 H GLY 29 10.600 -1.537 10.870 258 1HA GLY 29 1HA GLY 29 9.325 -4.128 10.425 259 2HA GLY 29 2HA GLY 29 8.556 -2.728 9.663 260 H PHE 30 H PHE 30 9.154 -4.116 7.776 261 HA PHE 30 HA PHE 30 11.687 -4.789 6.942 262 1HB PHE 30 1HB PHE 30 9.400 -3.984 5.105 263 2HB PHE 30 2HB PHE 30 10.703 -5.103 4.753 264 HD1 PHE 30 1HD PHE 30 7.495 -4.589 6.542 265 HD2 PHE 30 2HD PHE 30 10.599 -7.428 5.583 266 HE1 PHE 30 1HE PHE 30 6.047 -6.442 7.328 267 HE2 PHE 30 2HE PHE 30 9.145 -9.277 6.365 268 HZ PHE 30 HZ PHE 30 6.865 -8.795 7.232 269 H ASN 31 H ASN 31 13.426 -3.644 6.266 270 HA ASN 31 HA ASN 31 13.409 -0.767 5.896 271 1HB ASN 31 1HB ASN 31 15.485 -2.959 5.675 272 2HB ASN 31 2HB ASN 31 15.838 -1.350 5.086 273 1HD2 ASN 31 1HD2 ASN 31 17.546 -1.210 6.630 274 2HD2 ASN 31 2HD2 ASN 31 17.206 -0.931 8.338 275 H ASN 32 H ASN 32 12.132 -2.924 3.744 276 HA ASN 32 HA ASN 32 13.792 -2.139 1.403 277 1HB ASN 32 1HB ASN 32 12.675 -4.855 2.222 278 2HB ASN 32 2HB ASN 32 13.056 -4.458 0.555 279 1HD2 ASN 32 1HD2 ASN 32 14.503 -6.365 0.937 280 2HD2 ASN 32 2HD2 ASN 32 16.185 -5.995 1.314 281 H VAL 33 H VAL 33 12.654 -1.314 -0.201 282 HA VAL 33 HA VAL 33 9.834 -1.906 -0.616 283 HB VAL 33 HB VAL 33 9.354 0.559 -0.818 284 1HG1 VAL 33 1HG1 VAL 33 10.167 -0.229 2.008 285 2HG1 VAL 33 2HG1 VAL 33 9.025 1.040 1.536 286 3HG1 VAL 33 3HG1 VAL 33 8.625 -0.629 1.221 287 1HG2 VAL 33 1HG2 VAL 33 11.692 1.395 -0.991 288 2HG2 VAL 33 2HG2 VAL 33 10.781 2.200 0.272 289 3HG2 VAL 33 3HG2 VAL 33 11.971 0.957 0.717 290 H GLU 34 H GLU 34 9.222 -1.070 -2.783 291 HA GLU 34 HA GLU 34 11.368 0.101 -4.438 292 1HB GLU 34 1HB GLU 34 9.390 -2.089 -5.166 293 2HB GLU 34 2HB GLU 34 10.032 -1.013 -6.396 294 1HG GLU 34 1HG GLU 34 11.851 -2.610 -4.548 295 2HG GLU 34 2HG GLU 34 11.207 -3.287 -6.034 296 H GLU 35 H GLU 35 10.320 1.535 -6.070 297 HA GLU 35 HA GLU 35 7.671 2.572 -5.191 298 1HB GLU 35 1HB GLU 35 10.066 4.184 -6.099 299 2HB GLU 35 2HB GLU 35 8.493 4.833 -5.668 300 1HG GLU 35 1HG GLU 35 8.777 4.352 -3.339 301 2HG GLU 35 2HG GLU 35 10.175 3.319 -3.623 302 H ALA 36 H ALA 36 6.299 2.677 -6.917 303 HA ALA 36 HA ALA 36 7.316 2.114 -9.647 304 1HB ALA 36 1HB ALA 36 5.167 1.032 -8.570 305 2HB ALA 36 2HB ALA 36 4.426 2.606 -8.951 306 3HB ALA 36 3HB ALA 36 5.107 1.634 -10.227 307 H GLU 37 H GLU 37 6.225 3.605 -11.354 308 HA GLU 37 HA GLU 37 6.747 6.376 -10.670 309 1HB GLU 37 1HB GLU 37 5.285 5.281 -13.108 310 2HB GLU 37 2HB GLU 37 5.896 6.921 -12.854 311 1HG GLU 37 1HG GLU 37 8.189 5.565 -12.384 312 2HG GLU 37 2HG GLU 37 7.414 4.408 -13.460 313 H ASP 38 H ASP 38 3.703 4.406 -10.961 314 HA ASP 38 HA ASP 38 2.034 6.326 -9.655 315 1HB ASP 38 1HB ASP 38 0.862 7.214 -11.441 316 2HB ASP 38 2HB ASP 38 2.503 7.324 -12.044 317 H GLY 39 H GLY 39 -0.355 5.473 -10.049 318 1HA GLY 39 1HA GLY 39 -0.720 2.875 -9.334 319 2HA GLY 39 2HA GLY 39 -1.916 3.798 -10.244 320 H VAL 40 H VAL 40 -0.517 3.973 -12.818 321 HA VAL 40 HA VAL 40 -1.204 1.374 -13.856 322 HB VAL 40 HB VAL 40 0.383 3.638 -15.149 323 1HG1 VAL 40 1HG1 VAL 40 -0.327 2.528 -17.279 324 2HG1 VAL 40 2HG1 VAL 40 0.760 1.529 -16.320 325 3HG1 VAL 40 3HG1 VAL 40 -0.979 1.178 -16.330 326 1HG2 VAL 40 1HG2 VAL 40 -1.863 4.404 -14.503 327 2HG2 VAL 40 2HG2 VAL 40 -1.745 4.228 -16.254 328 3HG2 VAL 40 3HG2 VAL 40 -2.596 2.986 -15.301 329 H ASP 41 H ASP 41 1.968 3.064 -13.322 330 HA ASP 41 HA ASP 41 3.501 0.768 -14.011 331 1HB ASP 41 1HB ASP 41 4.383 3.082 -13.961 332 2HB ASP 41 2HB ASP 41 4.315 3.045 -12.195 333 H ALA 42 H ALA 42 1.757 1.555 -11.029 334 HA ALA 42 HA ALA 42 3.174 -0.203 -9.298 335 1HB ALA 42 1HB ALA 42 0.223 0.505 -9.092 336 2HB ALA 42 2HB ALA 42 1.327 0.063 -7.792 337 3HB ALA 42 3HB ALA 42 1.496 1.632 -8.622 338 H LEU 43 H LEU 43 0.226 -0.590 -11.316 339 HA LEU 43 HA LEU 43 -0.175 -3.364 -10.729 340 1HB LEU 43 1HB LEU 43 -1.768 -1.772 -11.986 341 2HB LEU 43 2HB LEU 43 -0.714 -1.955 -13.384 342 HG LEU 43 HG LEU 43 -1.092 -4.525 -13.087 343 1HD1 LEU 43 1HD1 LEU 43 -2.149 -4.393 -10.830 344 2HD1 LEU 43 2HD1 LEU 43 -3.492 -3.465 -11.528 345 3HD1 LEU 43 3HD1 LEU 43 -3.201 -5.149 -12.020 346 1HD2 LEU 43 1HD2 LEU 43 -3.180 -4.446 -14.387 347 2HD2 LEU 43 2HD2 LEU 43 -3.353 -2.714 -13.974 348 3HD2 LEU 43 3HD2 LEU 43 -1.986 -3.265 -14.959 349 H ASN 44 H ASN 44 1.703 -1.712 -13.249 350 HA ASN 44 HA ASN 44 2.704 -3.987 -14.586 351 1HB ASN 44 1HB ASN 44 2.751 -1.650 -15.417 352 2HB ASN 44 2HB ASN 44 4.034 -1.295 -14.248 353 1HD2 ASN 44 1HD2 ASN 44 5.179 -0.696 -16.229 354 2HD2 ASN 44 2HD2 ASN 44 6.139 -1.924 -17.057 355 H LYS 45 H LYS 45 4.161 -2.152 -11.852 356 HA LYS 45 HA LYS 45 6.459 -3.777 -11.419 357 1HB LYS 45 1HB LYS 45 4.731 -2.090 -9.586 358 2HB LYS 45 2HB LYS 45 6.144 -2.943 -8.994 359 1HG LYS 45 1HG LYS 45 6.498 -1.153 -11.400 360 2HG LYS 45 2HG LYS 45 6.214 -0.416 -9.827 361 1HD LYS 45 1HD LYS 45 8.105 -1.723 -8.879 362 2HD LYS 45 2HD LYS 45 8.487 -2.270 -10.521 363 1HE LYS 45 1HE LYS 45 8.509 0.568 -9.415 364 2HE LYS 45 2HE LYS 45 9.902 -0.394 -9.904 365 1HZ LYS 45 1HZ LYS 45 9.356 1.207 -11.564 366 2HZ LYS 45 2HZ LYS 45 9.069 -0.282 -12.188 367 3HZ LYS 45 3HZ LYS 45 7.826 0.722 -11.709 368 H LEU 46 H LEU 46 3.056 -4.092 -10.150 369 HA LEU 46 HA LEU 46 3.647 -6.293 -8.532 370 1HB LEU 46 1HB LEU 46 1.162 -5.117 -9.696 371 2HB LEU 46 2HB LEU 46 1.072 -6.843 -9.456 372 HG LEU 46 HG LEU 46 0.180 -5.871 -7.522 373 1HD1 LEU 46 1HD1 LEU 46 1.461 -6.807 -5.776 374 2HD1 LEU 46 2HD1 LEU 46 1.890 -7.763 -7.198 375 3HD1 LEU 46 3HD1 LEU 46 2.982 -6.490 -6.578 376 1HD2 LEU 46 1HD2 LEU 46 1.468 -4.245 -6.117 377 2HD2 LEU 46 2HD2 LEU 46 2.654 -4.109 -7.415 378 3HD2 LEU 46 3HD2 LEU 46 0.974 -3.604 -7.686 379 H GLN 47 H GLN 47 2.794 -6.274 -11.997 380 HA GLN 47 HA GLN 47 3.184 -9.218 -12.098 381 1HB GLN 47 1HB GLN 47 2.805 -9.031 -14.523 382 2HB GLN 47 2HB GLN 47 1.511 -8.377 -13.544 383 1HG GLN 47 1HG GLN 47 2.555 -6.072 -13.906 384 2HG GLN 47 2HG GLN 47 3.627 -6.821 -15.084 385 1HE2 GLN 47 1HE2 GLN 47 0.043 -6.645 -14.270 386 2HE2 GLN 47 2HE2 GLN 47 -0.383 -6.231 -15.919 387 H ALA 48 H ALA 48 5.445 -6.802 -11.728 388 HA ALA 48 HA ALA 48 7.415 -7.844 -13.611 389 1HB ALA 48 1HB ALA 48 7.221 -5.413 -13.126 390 2HB ALA 48 2HB ALA 48 7.810 -5.739 -11.470 391 3HB ALA 48 3HB ALA 48 8.835 -6.087 -12.860 392 H GLY 49 H GLY 49 6.317 -9.155 -10.713 393 1HA GLY 49 1HA GLY 49 8.125 -11.125 -10.571 394 2HA GLY 49 2HA GLY 49 8.967 -9.860 -9.655 395 H GLY 50 H GLY 50 8.715 -11.709 -8.033 396 1HA GLY 50 1HA GLY 50 6.111 -12.046 -6.780 397 2HA GLY 50 2HA GLY 50 7.659 -12.669 -6.210 398 H TYR 51 H TYR 51 5.690 -9.741 -6.440 399 HA TYR 51 HA TYR 51 6.932 -8.532 -4.023 400 1HB TYR 51 1HB TYR 51 4.575 -7.848 -5.805 401 2HB TYR 51 2HB TYR 51 4.833 -7.045 -4.258 402 HD1 TYR 51 1HD TYR 51 6.221 -7.493 -7.696 403 HD2 TYR 51 2HD TYR 51 6.658 -5.500 -3.876 404 HE1 TYR 51 1HE TYR 51 7.916 -5.995 -8.669 405 HE2 TYR 51 2HE TYR 51 8.321 -3.973 -4.870 406 HH TYR 51 HH TYR 51 9.530 -4.330 -8.207 407 H GLY 52 H GLY 52 5.510 -8.270 -2.090 408 1HA GLY 52 1HA GLY 52 3.304 -10.271 -1.928 409 2HA GLY 52 2HA GLY 52 4.569 -10.285 -0.726 410 H PHE 53 H PHE 53 4.324 -7.020 -1.364 411 HA PHE 53 HA PHE 53 1.945 -6.536 0.267 412 1HB PHE 53 1HB PHE 53 4.191 -6.866 1.634 413 2HB PHE 53 2HB PHE 53 4.568 -5.261 1.032 414 HD1 PHE 53 1HD PHE 53 3.069 -7.088 3.643 415 HD2 PHE 53 2HD PHE 53 2.588 -3.440 1.377 416 HE1 PHE 53 1HE PHE 53 1.790 -6.096 5.496 417 HE2 PHE 53 2HE PHE 53 1.204 -2.500 3.207 418 HZ PHE 53 HZ PHE 53 0.863 -3.757 5.266 419 H VAL 54 H VAL 54 0.974 -4.655 -0.361 420 HA VAL 54 HA VAL 54 2.253 -3.012 -2.483 421 HB VAL 54 HB VAL 54 -0.497 -4.356 -2.403 422 1HG1 VAL 54 1HG1 VAL 54 -0.726 -2.386 -3.825 423 2HG1 VAL 54 2HG1 VAL 54 0.800 -2.760 -4.668 424 3HG1 VAL 54 3HG1 VAL 54 -0.616 -3.809 -4.858 425 1HG2 VAL 54 1HG2 VAL 54 1.998 -5.018 -4.021 426 2HG2 VAL 54 2HG2 VAL 54 1.246 -6.017 -2.764 427 3HG2 VAL 54 3HG2 VAL 54 0.380 -5.715 -4.249 428 H ILE 55 H ILE 55 2.202 -0.893 -1.832 429 HA ILE 55 HA ILE 55 -0.059 0.073 -0.205 430 HB ILE 55 HB ILE 55 2.783 1.103 0.013 431 1HG1 ILE 55 1HG1 ILE 55 1.464 -1.115 1.561 432 2HG1 ILE 55 2HG1 ILE 55 3.012 -1.148 0.725 433 1HG2 ILE 55 1HG2 ILE 55 1.981 2.198 2.027 434 2HG2 ILE 55 2HG2 ILE 55 0.943 2.624 0.692 435 3HG2 ILE 55 3HG2 ILE 55 0.400 1.401 1.866 436 1HD1 ILE 55 1HD1 ILE 55 2.426 0.347 3.313 437 2HD1 ILE 55 2HD1 ILE 55 3.318 -1.146 3.130 438 3HD1 ILE 55 3HD1 ILE 55 3.984 0.347 2.439 439 H SER 56 H SER 56 -1.018 1.969 -1.024 440 HA SER 56 HA SER 56 0.528 3.565 -2.864 441 1HB SER 56 1HB SER 56 -2.062 2.321 -3.896 442 2HB SER 56 2HB SER 56 -1.003 3.449 -4.772 443 HG SER 56 HG SER 56 0.538 1.483 -4.005 444 H ASP 57 H ASP 57 -0.527 5.535 -3.460 445 HA ASP 57 HA ASP 57 -2.442 6.538 -1.433 446 1HB ASP 57 1HB ASP 57 -0.558 7.898 -2.363 447 2HB ASP 57 2HB ASP 57 -1.426 7.968 -3.911 448 H TRP 58 H TRP 58 -4.378 7.551 -2.158 449 HA TRP 58 HA TRP 58 -6.066 5.903 -3.897 450 1HB TRP 58 1HB TRP 58 -6.751 7.047 -1.706 451 2HB TRP 58 2HB TRP 58 -6.590 8.589 -2.538 452 HD1 TRP 58 HD TRP 58 -8.384 9.021 -4.586 453 HE1 TRP 58 1HE TRP 58 -10.706 8.095 -4.992 454 HE3 TRP 58 3HE TRP 58 -7.979 4.859 -1.738 455 HZ2 TRP 58 2HZ TRP 58 -12.346 5.829 -3.936 456 HZ3 TRP 58 3HZ TRP 58 -9.847 3.242 -1.581 457 HH2 TRP 58 HH TRP 58 -12.019 3.751 -2.560 458 H ASN 59 H ASN 59 -4.558 9.115 -3.764 459 HA ASN 59 HA ASN 59 -6.143 10.129 -5.937 460 1HB ASN 59 1HB ASN 59 -3.833 11.352 -4.372 461 2HB ASN 59 2HB ASN 59 -4.902 12.241 -5.466 462 1HD2 ASN 59 1HD2 ASN 59 -4.399 12.183 -2.328 463 2HD2 ASN 59 2HD2 ASN 59 -6.033 12.138 -1.735 464 H MET 60 H MET 60 -5.127 8.238 -7.382 465 HA MET 60 HA MET 60 -2.490 9.050 -8.470 466 1HB MET 60 1HB MET 60 -4.109 6.507 -8.414 467 2HB MET 60 2HB MET 60 -2.969 6.733 -9.745 468 1HG MET 60 1HG MET 60 -2.308 6.963 -6.785 469 2HG MET 60 2HG MET 60 -2.028 5.529 -7.783 470 1HE MET 60 1HE MET 60 1.481 7.180 -6.942 471 2HE MET 60 2HE MET 60 -0.007 7.239 -5.966 472 3HE MET 60 3HE MET 60 0.458 5.725 -6.774 473 HA PRO 61 HA PRO 61 -4.365 10.313 -12.396 474 1HB PRO 61 1HB PRO 61 -2.382 9.879 -14.158 475 2HB PRO 61 2HB PRO 61 -2.187 11.111 -12.872 476 1HG PRO 61 1HG PRO 61 -1.190 8.245 -12.868 477 2HG PRO 61 2HG PRO 61 -0.260 9.721 -12.472 478 1HD PRO 61 1HD PRO 61 -1.446 8.131 -10.613 479 2HD PRO 61 2HD PRO 61 -1.232 9.895 -10.359 480 H ASN 62 H ASN 62 -5.189 9.219 -14.334 481 HA ASN 62 HA ASN 62 -6.065 7.557 -15.537 482 1HB ASN 62 1HB ASN 62 -3.602 7.617 -16.137 483 2HB ASN 62 2HB ASN 62 -3.368 6.183 -15.183 484 1HD2 ASN 62 1HD2 ASN 62 -3.075 6.608 -18.102 485 2HD2 ASN 62 2HD2 ASN 62 -4.171 5.508 -18.910 486 H MET 63 H MET 63 -4.105 5.333 -13.698 487 HA MET 63 HA MET 63 -6.493 3.783 -12.831 488 1HB MET 63 1HB MET 63 -4.719 2.487 -13.900 489 2HB MET 63 2HB MET 63 -3.537 3.048 -12.704 490 1HG MET 63 1HG MET 63 -4.555 1.857 -10.953 491 2HG MET 63 2HG MET 63 -6.097 1.721 -11.788 492 1HE MET 63 1HE MET 63 -5.866 0.538 -14.489 493 2HE MET 63 2HE MET 63 -5.883 -1.198 -14.130 494 3HE MET 63 3HE MET 63 -6.899 -0.087 -13.186 495 H ASP 64 H ASP 64 -7.200 5.417 -11.467 496 HA ASP 64 HA ASP 64 -5.981 6.581 -9.217 497 1HB ASP 64 1HB ASP 64 -8.157 7.192 -10.017 498 2HB ASP 64 2HB ASP 64 -8.765 5.575 -9.717 499 H GLY 65 H GLY 65 -6.069 5.823 -6.880 500 1HA GLY 65 1HA GLY 65 -4.801 3.329 -6.626 501 2HA GLY 65 2HA GLY 65 -5.452 4.294 -5.300 502 H LEU 66 H LEU 66 -8.279 4.141 -6.352 503 HA LEU 66 HA LEU 66 -8.912 1.602 -5.093 504 1HB LEU 66 1HB LEU 66 -10.294 3.787 -5.105 505 2HB LEU 66 2HB LEU 66 -10.887 3.302 -6.680 506 HG LEU 66 HG LEU 66 -12.278 2.866 -4.558 507 1HD1 LEU 66 1HD1 LEU 66 -12.992 1.915 -6.660 508 2HD1 LEU 66 2HD1 LEU 66 -11.947 0.507 -6.375 509 3HD1 LEU 66 3HD1 LEU 66 -13.317 0.835 -5.293 510 1HD2 LEU 66 1HD2 LEU 66 -10.599 0.355 -4.393 511 2HD2 LEU 66 2HD2 LEU 66 -10.414 1.727 -3.273 512 3HD2 LEU 66 3HD2 LEU 66 -11.943 0.824 -3.351 513 H GLU 67 H GLU 67 -8.513 2.760 -8.385 514 HA GLU 67 HA GLU 67 -9.741 0.452 -9.672 515 1HB GLU 67 1HB GLU 67 -7.929 2.676 -10.723 516 2HB GLU 67 2HB GLU 67 -8.642 1.418 -11.708 517 1HG GLU 67 1HG GLU 67 -10.256 3.389 -10.016 518 2HG GLU 67 2HG GLU 67 -9.883 3.586 -11.728 519 H LEU 68 H LEU 68 -6.463 1.470 -8.680 520 HA LEU 68 HA LEU 68 -5.044 -0.745 -9.796 521 1HB LEU 68 1HB LEU 68 -3.876 1.211 -8.890 522 2HB LEU 68 2HB LEU 68 -4.527 0.896 -7.286 523 HG LEU 68 HG LEU 68 -3.255 -1.253 -7.183 524 1HD1 LEU 68 1HD1 LEU 68 -1.386 -1.586 -8.832 525 2HD1 LEU 68 2HD1 LEU 68 -2.985 -1.808 -9.553 526 3HD1 LEU 68 3HD1 LEU 68 -2.092 -0.305 -9.837 527 1HD2 LEU 68 1HD2 LEU 68 -1.618 1.244 -7.748 528 2HD2 LEU 68 2HD2 LEU 68 -2.378 0.809 -6.209 529 3HD2 LEU 68 3HD2 LEU 68 -1.066 -0.187 -6.842 530 H LEU 69 H LEU 69 -6.452 -0.310 -6.514 531 HA LEU 69 HA LEU 69 -6.125 -2.966 -5.553 532 1HB LEU 69 1HB LEU 69 -6.859 -1.526 -3.945 533 2HB LEU 69 2HB LEU 69 -7.997 -0.712 -4.994 534 HG LEU 69 HG LEU 69 -9.696 -2.317 -4.720 535 1HD1 LEU 69 1HD1 LEU 69 -8.246 -4.052 -2.708 536 2HD1 LEU 69 2HD1 LEU 69 -9.681 -4.378 -3.669 537 3HD1 LEU 69 3HD1 LEU 69 -8.072 -4.446 -4.406 538 1HD2 LEU 69 1HD2 LEU 69 -8.268 -1.715 -2.098 539 2HD2 LEU 69 2HD2 LEU 69 -9.480 -0.706 -2.858 540 3HD2 LEU 69 3HD2 LEU 69 -9.939 -2.273 -2.178 541 H LYS 70 H LYS 70 -8.965 -1.584 -7.382 542 HA LYS 70 HA LYS 70 -10.242 -4.131 -7.404 543 1HB LYS 70 1HB LYS 70 -10.670 -1.578 -8.991 544 2HB LYS 70 2HB LYS 70 -11.600 -3.050 -9.320 545 1HG LYS 70 1HG LYS 70 -12.131 -3.213 -6.874 546 2HG LYS 70 2HG LYS 70 -11.418 -1.629 -6.635 547 1HD LYS 70 1HD LYS 70 -13.096 -0.558 -7.991 548 2HD LYS 70 2HD LYS 70 -13.607 -2.073 -8.731 549 1HE LYS 70 1HE LYS 70 -13.801 -1.673 -5.739 550 2HE LYS 70 2HE LYS 70 -15.073 -1.094 -6.814 551 1HZ LYS 70 1HZ LYS 70 -14.168 -3.897 -6.533 552 2HZ LYS 70 2HZ LYS 70 -15.646 -3.312 -6.149 553 3HZ LYS 70 3HZ LYS 70 -15.160 -3.409 -7.711 554 H THR 71 H THR 71 -7.878 -2.851 -9.702 555 HA THR 71 HA THR 71 -8.394 -4.904 -11.671 556 HB THR 71 HB THR 71 -5.994 -3.102 -11.123 557 HG1 THR 71 1HG THR 71 -7.675 -1.876 -11.620 558 1HG2 THR 71 1HG2 THR 71 -5.416 -3.478 -13.480 559 2HG2 THR 71 2HG2 THR 71 -5.331 -4.992 -12.564 560 3HG2 THR 71 3HG2 THR 71 -6.699 -4.692 -13.634 561 H ILE 72 H ILE 72 -6.028 -4.517 -8.965 562 HA ILE 72 HA ILE 72 -4.861 -7.100 -9.161 563 HB ILE 72 HB ILE 72 -5.225 -5.008 -6.981 564 1HG1 ILE 72 1HG1 ILE 72 -2.771 -6.206 -8.342 565 2HG1 ILE 72 2HG1 ILE 72 -3.552 -4.702 -8.813 566 1HG2 ILE 72 1HG2 ILE 72 -4.017 -7.750 -6.632 567 2HG2 ILE 72 2HG2 ILE 72 -3.772 -6.399 -5.495 568 3HG2 ILE 72 3HG2 ILE 72 -5.378 -7.077 -5.730 569 1HD1 ILE 72 1HD1 ILE 72 -1.590 -4.151 -7.547 570 2HD1 ILE 72 2HD1 ILE 72 -2.990 -3.745 -6.544 571 3HD1 ILE 72 3HD1 ILE 72 -2.041 -5.212 -6.220 572 H ARG 73 H ARG 73 -7.812 -5.989 -7.484 573 HA ARG 73 HA ARG 73 -8.423 -8.530 -6.330 574 1HB ARG 73 1HB ARG 73 -9.127 -6.058 -5.723 575 2HB ARG 73 2HB ARG 73 -10.516 -6.387 -6.747 576 1HG ARG 73 1HG ARG 73 -9.675 -8.131 -4.366 577 2HG ARG 73 2HG ARG 73 -10.661 -6.688 -4.207 578 1HD ARG 73 1HD ARG 73 -12.207 -7.819 -6.004 579 2HD ARG 73 2HD ARG 73 -11.382 -9.300 -5.530 580 HE ARG 73 HE ARG 73 -12.917 -7.477 -3.695 581 1HH1 ARG 73 2HH2 ARG 73 -11.508 -10.682 -4.128 582 2HH1 ARG 73 1HH2 ARG 73 -12.715 -11.531 -3.258 583 1HH2 ARG 73 2HH1 ARG 73 -14.471 -8.529 -2.342 584 2HH2 ARG 73 1HH1 ARG 73 -14.414 -10.229 -2.095 585 H ALA 74 H ALA 74 -9.098 -7.209 -9.475 586 HA ALA 74 HA ALA 74 -11.204 -9.082 -10.173 587 1HB ALA 74 1HB ALA 74 -9.387 -7.266 -11.816 588 2HB ALA 74 2HB ALA 74 -10.718 -8.230 -12.464 589 3HB ALA 74 3HB ALA 74 -11.058 -6.930 -11.322 590 H ASP 75 H ASP 75 -7.937 -9.633 -9.482 591 HA ASP 75 HA ASP 75 -7.639 -11.731 -11.565 592 1HB ASP 75 1HB ASP 75 -5.768 -10.104 -11.139 593 2HB ASP 75 2HB ASP 75 -5.713 -10.732 -9.481 594 H GLY 76 H GLY 76 -7.714 -13.860 -10.967 595 1HA GLY 76 1HA GLY 76 -9.249 -14.450 -8.651 596 2HA GLY 76 2HA GLY 76 -8.564 -15.619 -9.783 597 H ALA 77 H ALA 77 -5.785 -14.355 -9.159 598 HA ALA 77 HA ALA 77 -5.253 -15.748 -6.588 599 1HB ALA 77 1HB ALA 77 -2.881 -15.379 -7.183 600 2HB ALA 77 2HB ALA 77 -3.735 -16.361 -8.388 601 3HB ALA 77 3HB ALA 77 -3.369 -14.656 -8.724 602 H MET 78 H MET 78 -4.541 -12.677 -8.310 603 HA MET 78 HA MET 78 -3.245 -11.660 -6.041 604 1HB MET 78 1HB MET 78 -4.182 -9.955 -8.370 605 2HB MET 78 2HB MET 78 -2.940 -9.587 -7.226 606 1HG MET 78 1HG MET 78 -2.720 -12.002 -9.042 607 2HG MET 78 2HG MET 78 -2.167 -10.395 -9.480 608 1HE MET 78 1HE MET 78 1.228 -12.083 -8.911 609 2HE MET 78 2HE MET 78 -0.246 -12.587 -9.772 610 3HE MET 78 3HE MET 78 0.313 -10.910 -9.889 611 H SER 79 H SER 79 -6.589 -11.628 -6.506 612 HA SER 79 HA SER 79 -7.439 -9.461 -4.927 613 1HB SER 79 1HB SER 79 -8.936 -11.068 -6.033 614 2HB SER 79 2HB SER 79 -8.381 -12.363 -4.965 615 HG SER 79 HG SER 79 -9.388 -11.467 -3.282 616 H ALA 80 H ALA 80 -5.576 -12.269 -3.887 617 HA ALA 80 HA ALA 80 -5.916 -11.892 -1.064 618 1HB ALA 80 1HB ALA 80 -3.925 -13.311 -0.943 619 2HB ALA 80 2HB ALA 80 -5.100 -13.996 -2.067 620 3HB ALA 80 3HB ALA 80 -3.662 -13.153 -2.692 621 H LEU 81 H LEU 81 -4.189 -9.856 -3.294 622 HA LEU 81 HA LEU 81 -1.821 -9.462 -1.729 623 1HB LEU 81 1HB LEU 81 -3.165 -7.964 -3.968 624 2HB LEU 81 2HB LEU 81 -1.923 -7.133 -3.058 625 HG LEU 81 HG LEU 81 -1.462 -9.817 -4.427 626 1HD1 LEU 81 1HD1 LEU 81 -1.922 -8.084 -6.057 627 2HD1 LEU 81 2HD1 LEU 81 -0.847 -6.961 -5.284 628 3HD1 LEU 81 3HD1 LEU 81 -0.178 -8.428 -6.051 629 1HD2 LEU 81 1HD2 LEU 81 0.132 -9.638 -2.663 630 2HD2 LEU 81 2HD2 LEU 81 0.995 -8.994 -4.062 631 3HD2 LEU 81 3HD2 LEU 81 0.294 -7.895 -2.853 632 HA PRO 82 HA PRO 82 -3.825 -6.851 1.236 633 1HB PRO 82 1HB PRO 82 -1.778 -6.195 2.885 634 2HB PRO 82 2HB PRO 82 -2.411 -7.851 2.749 635 1HG PRO 82 1HG PRO 82 -0.004 -6.679 1.353 636 2HG PRO 82 2HG PRO 82 -0.110 -8.218 2.273 637 1HD PRO 82 1HD PRO 82 -0.362 -8.105 -0.468 638 2HD PRO 82 2HD PRO 82 -1.255 -9.294 0.529 639 H VAL 83 H VAL 83 -3.807 -5.505 -1.114 640 HA VAL 83 HA VAL 83 -2.318 -3.150 -1.330 641 HB VAL 83 HB VAL 83 -3.904 -2.276 -2.809 642 1HG1 VAL 83 1HG1 VAL 83 -2.751 -4.357 -3.656 643 2HG1 VAL 83 2HG1 VAL 83 -4.205 -5.295 -3.179 644 3HG1 VAL 83 3HG1 VAL 83 -4.307 -4.016 -4.404 645 1HG2 VAL 83 1HG2 VAL 83 -6.019 -2.477 -1.704 646 2HG2 VAL 83 2HG2 VAL 83 -6.124 -3.480 -3.147 647 3HG2 VAL 83 3HG2 VAL 83 -5.868 -4.254 -1.576 648 H LEU 84 H LEU 84 -1.895 -1.721 0.146 649 HA LEU 84 HA LEU 84 -3.898 -1.028 2.215 650 1HB LEU 84 1HB LEU 84 -1.766 -2.038 2.922 651 2HB LEU 84 2HB LEU 84 -0.870 -0.772 2.096 652 HG LEU 84 HG LEU 84 -1.657 0.915 3.650 653 1HD1 LEU 84 1HD1 LEU 84 -3.058 0.225 5.654 654 2HD1 LEU 84 2HD1 LEU 84 -3.913 0.324 4.120 655 3HD1 LEU 84 3HD1 LEU 84 -3.451 -1.272 4.765 656 1HD2 LEU 84 1HD2 LEU 84 -0.654 0.064 5.730 657 2HD2 LEU 84 2HD2 LEU 84 -0.828 -1.609 5.148 658 3HD2 LEU 84 3HD2 LEU 84 0.270 -0.478 4.325 659 H MET 85 H MET 85 -4.901 0.882 2.016 660 HA MET 85 HA MET 85 -3.978 2.784 -0.054 661 1HB MET 85 1HB MET 85 -6.482 2.748 1.668 662 2HB MET 85 2HB MET 85 -6.193 3.843 0.321 663 1HG MET 85 1HG MET 85 -6.200 0.837 -0.121 664 2HG MET 85 2HG MET 85 -7.700 1.707 0.094 665 1HE MET 85 1HE MET 85 -4.459 1.451 -2.116 666 2HE MET 85 2HE MET 85 -4.932 2.333 -3.585 667 3HE MET 85 3HE MET 85 -4.571 3.231 -2.105 668 H VAL 86 H VAL 86 -2.721 4.523 0.536 669 HA VAL 86 HA VAL 86 -2.861 5.528 3.337 670 HB VAL 86 HB VAL 86 -0.355 5.039 1.662 671 1HG1 VAL 86 1HG1 VAL 86 -0.764 6.079 4.504 672 2HG1 VAL 86 2HG1 VAL 86 0.799 5.580 3.827 673 3HG1 VAL 86 3HG1 VAL 86 -0.059 6.947 3.113 674 1HG2 VAL 86 1HG2 VAL 86 0.246 3.358 3.362 675 2HG2 VAL 86 2HG2 VAL 86 -1.343 3.524 4.115 676 3HG2 VAL 86 3HG2 VAL 86 -1.207 2.901 2.460 677 H THR 87 H THR 87 -3.773 7.578 3.091 678 HA THR 87 HA THR 87 -2.667 9.290 0.936 679 HB THR 87 HB THR 87 -4.493 7.997 -0.054 680 HG1 THR 87 1HG THR 87 -4.442 9.823 -1.000 681 1HG2 THR 87 1HG2 THR 87 -6.255 9.170 2.131 682 2HG2 THR 87 2HG2 THR 87 -6.845 8.409 0.641 683 3HG2 THR 87 3HG2 THR 87 -5.918 7.456 1.809 684 H ALA 88 H ALA 88 -3.985 11.438 1.023 685 HA ALA 88 HA ALA 88 -3.941 12.537 3.779 686 1HB ALA 88 1HB ALA 88 -4.375 14.673 2.615 687 2HB ALA 88 2HB ALA 88 -2.945 13.860 1.906 688 3HB ALA 88 3HB ALA 88 -4.508 13.823 1.063 689 H GLU 89 H GLU 89 -6.183 11.416 1.274 690 HA GLU 89 HA GLU 89 -8.397 13.018 2.177 691 1HB GLU 89 1HB GLU 89 -8.182 10.627 0.305 692 2HB GLU 89 2HB GLU 89 -9.674 11.515 0.582 693 1HG GLU 89 1HG GLU 89 -7.101 12.753 -0.482 694 2HG GLU 89 2HG GLU 89 -8.440 12.201 -1.482 695 H ALA 90 H ALA 90 -9.180 12.673 4.233 696 HA ALA 90 HA ALA 90 -9.776 9.988 5.223 697 1HB ALA 90 1HB ALA 90 -11.104 12.540 6.149 698 2HB ALA 90 2HB ALA 90 -10.792 11.068 7.070 699 3HB ALA 90 3HB ALA 90 -9.453 12.164 6.650 700 H LYS 91 H LYS 91 -10.793 10.838 2.476 701 HA LYS 91 HA LYS 91 -13.456 11.774 2.539 702 1HB LYS 91 1HB LYS 91 -11.998 11.950 0.581 703 2HB LYS 91 2HB LYS 91 -11.984 10.203 0.429 704 1HG LYS 91 1HG LYS 91 -13.487 11.182 -1.192 705 2HG LYS 91 2HG LYS 91 -14.427 10.220 -0.043 706 1HD LYS 91 1HD LYS 91 -15.110 12.272 1.133 707 2HD LYS 91 2HD LYS 91 -14.133 13.264 0.048 708 1HE LYS 91 1HE LYS 91 -16.454 11.488 -0.833 709 2HE LYS 91 2HE LYS 91 -16.614 13.197 -0.439 710 1HZ LYS 91 1HZ LYS 91 -16.405 12.980 -2.759 711 2HZ LYS 91 2HZ LYS 91 -14.988 13.642 -2.230 712 3HZ LYS 91 3HZ LYS 91 -15.046 12.059 -2.659 713 H LYS 92 H LYS 92 -14.981 10.758 3.623 714 HA LYS 92 HA LYS 92 -15.281 8.247 4.472 715 1HB LYS 92 1HB LYS 92 -17.838 8.659 4.235 716 2HB LYS 92 2HB LYS 92 -16.869 9.826 5.145 717 1HG LYS 92 1HG LYS 92 -16.832 11.298 3.055 718 2HG LYS 92 2HG LYS 92 -18.011 10.180 2.354 719 1HD LYS 92 1HD LYS 92 -19.668 10.796 3.955 720 2HD LYS 92 2HD LYS 92 -18.468 11.540 5.022 721 1HE LYS 92 1HE LYS 92 -19.719 13.286 3.928 722 2HE LYS 92 2HE LYS 92 -18.032 13.328 3.427 723 1HZ LYS 92 1HZ LYS 92 -18.744 12.180 1.354 724 2HZ LYS 92 2HZ LYS 92 -20.285 12.239 1.853 725 3HZ LYS 92 3HZ LYS 92 -19.471 13.637 1.539 726 H GLU 93 H GLU 93 -16.798 9.137 1.360 727 HA GLU 93 HA GLU 93 -17.497 6.553 0.475 728 1HB GLU 93 1HB GLU 93 -16.485 8.915 -1.154 729 2HB GLU 93 2HB GLU 93 -17.230 7.476 -1.844 730 1HG GLU 93 1HG GLU 93 -19.296 8.227 -1.454 731 2HG GLU 93 2HG GLU 93 -18.954 8.495 0.256 732 H ASN 94 H ASN 94 -14.209 7.939 0.506 733 HA ASN 94 HA ASN 94 -13.233 5.890 -1.350 734 1HB ASN 94 1HB ASN 94 -11.648 7.835 0.372 735 2HB ASN 94 2HB ASN 94 -11.019 6.747 -0.845 736 1HD2 ASN 94 1HD2 ASN 94 -13.766 7.649 -2.468 737 2HD2 ASN 94 2HD2 ASN 94 -13.230 9.188 -3.083 738 H ILE 95 H ILE 95 -13.309 6.493 2.194 739 HA ILE 95 HA ILE 95 -11.884 4.113 2.948 740 HB ILE 95 HB ILE 95 -14.071 5.702 4.390 741 1HG1 ILE 95 1HG1 ILE 95 -12.082 5.825 6.103 742 2HG1 ILE 95 2HG1 ILE 95 -11.063 5.335 4.754 743 1HG2 ILE 95 1HG2 ILE 95 -13.658 4.294 6.385 744 2HG2 ILE 95 2HG2 ILE 95 -14.432 3.402 5.102 745 3HG2 ILE 95 3HG2 ILE 95 -12.692 3.180 5.381 746 1HD1 ILE 95 1HD1 ILE 95 -12.946 7.742 4.741 747 2HD1 ILE 95 2HD1 ILE 95 -11.235 7.826 5.182 748 3HD1 ILE 95 3HD1 ILE 95 -11.687 7.357 3.535 749 H ILE 96 H ILE 96 -15.513 4.640 2.518 750 HA ILE 96 HA ILE 96 -16.034 1.906 2.745 751 HB ILE 96 HB ILE 96 -17.665 3.891 1.263 752 1HG1 ILE 96 1HG1 ILE 96 -18.412 3.435 4.082 753 2HG1 ILE 96 2HG1 ILE 96 -16.904 4.287 3.919 754 1HG2 ILE 96 1HG2 ILE 96 -18.517 1.749 0.845 755 2HG2 ILE 96 2HG2 ILE 96 -18.378 1.268 2.548 756 3HG2 ILE 96 3HG2 ILE 96 -19.585 2.489 2.046 757 1HD1 ILE 96 1HD1 ILE 96 -19.584 5.113 2.834 758 2HD1 ILE 96 2HD1 ILE 96 -18.487 5.959 3.985 759 3HD1 ILE 96 3HD1 ILE 96 -18.066 5.839 2.286 760 H ALA 97 H ALA 97 -15.452 3.749 -0.318 761 HA ALA 97 HA ALA 97 -15.977 1.597 -2.050 762 1HB ALA 97 1HB ALA 97 -14.071 3.940 -2.271 763 2HB ALA 97 2HB ALA 97 -14.374 2.794 -3.597 764 3HB ALA 97 3HB ALA 97 -15.688 3.798 -2.956 765 H ALA 98 H ALA 98 -12.957 2.444 -0.276 766 HA ALA 98 HA ALA 98 -11.378 0.316 -1.289 767 1HB ALA 98 1HB ALA 98 -9.942 0.700 0.616 768 2HB ALA 98 2HB ALA 98 -10.584 2.269 0.133 769 3HB ALA 98 3HB ALA 98 -11.252 1.448 1.541 770 H ALA 99 H ALA 99 -13.406 0.440 1.699 771 HA ALA 99 HA ALA 99 -12.881 -2.266 2.451 772 1HB ALA 99 1HB ALA 99 -15.257 -0.496 3.173 773 2HB ALA 99 2HB ALA 99 -14.681 -1.921 4.064 774 3HB ALA 99 3HB ALA 99 -13.673 -0.466 3.986 775 H GLN 100 H GLN 100 -15.257 -0.890 0.273 776 HA GLN 100 HA GLN 100 -16.899 -3.253 -0.067 777 1HB GLN 100 1HB GLN 100 -16.565 -0.558 -1.433 778 2HB GLN 100 2HB GLN 100 -17.462 -1.828 -2.242 779 1HG GLN 100 1HG GLN 100 -18.102 -0.815 0.552 780 2HG GLN 100 2HG GLN 100 -18.900 -0.275 -0.925 781 1HE2 GLN 100 1HE2 GLN 100 -19.914 -1.849 1.521 782 2HE2 GLN 100 2HE2 GLN 100 -20.549 -3.344 0.894 783 H ALA 101 H ALA 101 -14.294 -1.664 -2.126 784 HA ALA 101 HA ALA 101 -14.115 -3.666 -4.016 785 1HB ALA 101 1HB ALA 101 -11.868 -2.714 -4.399 786 2HB ALA 101 2HB ALA 101 -13.026 -1.401 -4.074 787 3HB ALA 101 3HB ALA 101 -11.935 -1.907 -2.814 788 H GLY 102 H GLY 102 -12.593 -3.430 -0.832 789 1HA GLY 102 1HA GLY 102 -12.410 -5.465 0.489 790 2HA GLY 102 2HA GLY 102 -11.831 -6.329 -0.940 791 H ALA 103 H ALA 103 -10.751 -3.049 -0.011 792 HA ALA 103 HA ALA 103 -8.028 -3.633 -0.371 793 1HB ALA 103 1HB ALA 103 -7.622 -1.436 0.333 794 2HB ALA 103 2HB ALA 103 -9.305 -1.329 -0.203 795 3HB ALA 103 3HB ALA 103 -8.962 -1.453 1.515 796 H SER 104 H SER 104 -6.254 -3.591 1.251 797 HA SER 104 HA SER 104 -6.784 -5.500 3.353 798 1HB SER 104 1HB SER 104 -4.506 -5.698 3.446 799 2HB SER 104 2HB SER 104 -4.770 -5.128 1.807 800 HG SER 104 HG SER 104 -3.174 -3.846 2.499 801 H GLY 105 H GLY 105 -6.522 -1.981 3.120 802 1HA GLY 105 1HA GLY 105 -7.762 -1.444 5.556 803 2HA GLY 105 2HA GLY 105 -6.006 -1.397 5.832 804 H TYR 106 H TYR 106 -7.370 0.865 6.213 805 HA TYR 106 HA TYR 106 -6.535 2.607 3.954 806 1HB TYR 106 1HB TYR 106 -9.144 2.166 4.518 807 2HB TYR 106 2HB TYR 106 -8.830 3.384 5.742 808 HD1 TYR 106 1HD TYR 106 -8.045 5.722 4.980 809 HD2 TYR 106 2HD TYR 106 -9.228 2.641 2.210 810 HE1 TYR 106 1HE TYR 106 -8.268 7.415 3.177 811 HE2 TYR 106 2HE TYR 106 -9.481 4.331 0.434 812 HH TYR 106 HH TYR 106 -9.090 6.548 -0.186 813 H VAL 107 H VAL 107 -5.327 4.361 4.595 814 HA VAL 107 HA VAL 107 -4.929 4.974 7.468 815 HB VAL 107 HB VAL 107 -2.895 4.281 5.327 816 1HG1 VAL 107 1HG1 VAL 107 -2.383 5.399 8.104 817 2HG1 VAL 107 2HG1 VAL 107 -1.140 4.804 6.975 818 3HG1 VAL 107 3HG1 VAL 107 -2.078 6.233 6.553 819 1HG2 VAL 107 1HG2 VAL 107 -3.401 3.116 8.102 820 2HG2 VAL 107 2HG2 VAL 107 -3.757 2.313 6.548 821 3HG2 VAL 107 3HG2 VAL 107 -2.083 2.633 7.010 822 H VAL 108 H VAL 108 -4.651 7.194 7.812 823 HA VAL 108 HA VAL 108 -4.858 8.939 5.439 824 HB VAL 108 HB VAL 108 -6.549 9.107 7.959 825 1HG1 VAL 108 1HG1 VAL 108 -7.716 10.918 6.793 826 2HG1 VAL 108 2HG1 VAL 108 -6.035 11.350 7.011 827 3HG1 VAL 108 3HG1 VAL 108 -6.596 10.800 5.416 828 1HG2 VAL 108 1HG2 VAL 108 -7.383 7.301 6.535 829 2HG2 VAL 108 2HG2 VAL 108 -8.459 8.691 6.390 830 3HG2 VAL 108 3HG2 VAL 108 -7.291 8.353 5.097 831 H LYS 109 H LYS 109 -3.737 10.833 5.662 832 HA LYS 109 HA LYS 109 -1.564 11.031 7.388 833 1HB LYS 109 1HB LYS 109 -3.182 13.117 5.894 834 2HB LYS 109 2HB LYS 109 -1.823 13.606 6.892 835 1HG LYS 109 1HG LYS 109 -1.501 11.525 4.703 836 2HG LYS 109 2HG LYS 109 -1.322 13.262 4.425 837 1HD LYS 109 1HD LYS 109 0.416 13.373 6.207 838 2HD LYS 109 2HD LYS 109 0.318 11.613 6.406 839 1HE LYS 109 1HE LYS 109 1.068 11.254 4.113 840 2HE LYS 109 2HE LYS 109 1.011 12.996 3.787 841 1HZ LYS 109 1HZ LYS 109 2.697 13.306 5.482 842 2HZ LYS 109 2HZ LYS 109 2.787 11.717 5.797 843 3HZ LYS 109 3HZ LYS 109 3.253 12.345 4.306 844 HA PRO 110 HA PRO 110 -0.410 12.622 8.506 845 1HB PRO 110 1HB PRO 110 0.812 13.166 10.884 846 2HB PRO 110 2HB PRO 110 -0.337 14.323 10.152 847 1HG PRO 110 1HG PRO 110 -0.947 12.188 12.229 848 2HG PRO 110 2HG PRO 110 -1.300 13.945 12.326 849 1HD PRO 110 1HD PRO 110 -3.168 12.147 11.433 850 2HD PRO 110 2HD PRO 110 -3.034 13.782 10.730 851 H PHE 111 H PHE 111 -1.659 10.075 9.466 852 HA PHE 111 HA PHE 111 -1.051 8.065 10.633 853 1HB PHE 111 1HB PHE 111 -0.301 6.558 8.883 854 2HB PHE 111 2HB PHE 111 -1.648 7.574 8.463 855 HD1 PHE 111 1HD PHE 111 1.982 7.015 7.884 856 HD2 PHE 111 2HD PHE 111 -1.603 8.849 6.420 857 HE1 PHE 111 1HE PHE 111 3.148 7.619 5.796 858 HE2 PHE 111 2HE PHE 111 -0.467 9.404 4.300 859 HZ PHE 111 HZ PHE 111 1.928 8.807 3.985 860 H THR 112 H THR 112 0.206 7.404 12.206 861 HA THR 112 HA THR 112 3.089 7.890 12.085 862 HB THR 112 HB THR 112 2.758 6.922 14.499 863 HG1 THR 112 1HG THR 112 0.192 7.955 14.368 864 1HG2 THR 112 1HG2 THR 112 2.127 9.201 15.227 865 2HG2 THR 112 2HG2 THR 112 3.341 9.202 13.930 866 3HG2 THR 112 3HG2 THR 112 1.660 9.596 13.545 867 H ALA 113 H ALA 113 4.546 6.177 12.971 868 HA ALA 113 HA ALA 113 4.264 3.704 11.527 869 1HB ALA 113 1HB ALA 113 6.096 4.344 13.873 870 2HB ALA 113 2HB ALA 113 6.230 2.995 12.754 871 3HB ALA 113 3HB ALA 113 6.481 4.640 12.171 872 H ALA 114 H ALA 114 3.491 4.938 14.775 873 HA ALA 114 HA ALA 114 2.463 2.649 16.019 874 1HB ALA 114 1HB ALA 114 1.179 4.230 17.378 875 2HB ALA 114 2HB ALA 114 2.832 4.831 17.116 876 3HB ALA 114 3HB ALA 114 1.461 5.519 16.206 877 H THR 115 H THR 115 1.041 4.199 13.161 878 HA THR 115 HA THR 115 -1.345 2.524 13.699 879 HB THR 115 HB THR 115 -1.463 5.181 13.351 880 HG1 THR 115 1HG THR 115 -3.112 3.741 13.868 881 1HG2 THR 115 1HG2 THR 115 -1.913 4.142 10.529 882 2HG2 THR 115 2HG2 THR 115 -2.238 5.776 11.142 883 3HG2 THR 115 3HG2 THR 115 -0.570 5.188 11.043 884 H LEU 116 H LEU 116 1.295 3.186 11.466 885 HA LEU 116 HA LEU 116 0.506 1.351 9.430 886 1HB LEU 116 1HB LEU 116 2.349 2.938 9.211 887 2HB LEU 116 2HB LEU 116 3.251 2.136 10.486 888 HG LEU 116 HG LEU 116 3.976 1.763 8.101 889 1HD1 LEU 116 1HD1 LEU 116 4.828 0.418 9.937 890 2HD1 LEU 116 2HD1 LEU 116 3.486 -0.728 9.768 891 3HD1 LEU 116 3HD1 LEU 116 4.645 -0.552 8.472 892 1HD2 LEU 116 1HD2 LEU 116 2.919 0.077 6.738 893 2HD2 LEU 116 2HD2 LEU 116 1.661 -0.202 7.953 894 3HD2 LEU 116 3HD2 LEU 116 1.747 1.355 7.094 895 H GLU 117 H GLU 117 2.412 0.813 12.466 896 HA GLU 117 HA GLU 117 2.739 -1.966 12.133 897 1HB GLU 117 1HB GLU 117 3.449 -1.997 14.418 898 2HB GLU 117 2HB GLU 117 4.035 -0.556 13.623 899 1HG GLU 117 1HG GLU 117 3.383 0.531 15.461 900 2HG GLU 117 2HG GLU 117 1.764 0.468 14.777 901 H GLU 118 H GLU 118 0.117 -0.109 13.644 902 HA GLU 118 HA GLU 118 -1.260 -2.332 14.703 903 1HB GLU 118 1HB GLU 118 -1.647 0.135 15.230 904 2HB GLU 118 2HB GLU 118 -2.503 0.263 13.681 905 1HG GLU 118 1HG GLU 118 -3.928 -1.708 14.492 906 2HG GLU 118 2HG GLU 118 -3.226 -1.463 16.085 907 H LYS 119 H LYS 119 -1.456 -0.686 11.526 908 HA LYS 119 HA LYS 119 -3.540 -2.390 10.485 909 1HB LYS 119 1HB LYS 119 -1.594 -0.434 9.264 910 2HB LYS 119 2HB LYS 119 -2.656 -1.420 8.244 911 1HG LYS 119 1HG LYS 119 -3.795 0.202 10.548 912 2HG LYS 119 2HG LYS 119 -3.461 0.959 8.994 913 1HD LYS 119 1HD LYS 119 -5.065 -0.288 7.840 914 2HD LYS 119 2HD LYS 119 -5.050 -1.598 9.016 915 1HE LYS 119 1HE LYS 119 -7.154 -0.374 9.124 916 2HE LYS 119 2HE LYS 119 -6.264 -0.285 10.648 917 1HZ LYS 119 1HZ LYS 119 -6.314 1.882 8.642 918 2HZ LYS 119 2HZ LYS 119 -7.209 1.816 10.015 919 3HZ LYS 119 3HZ LYS 119 -5.593 1.930 10.130 920 H LEU 120 H LEU 120 0.020 -2.603 10.461 921 HA LEU 120 HA LEU 120 0.235 -4.933 8.805 922 1HB LEU 120 1HB LEU 120 1.975 -3.919 11.090 923 2HB LEU 120 2HB LEU 120 2.307 -5.411 10.244 924 HG LEU 120 HG LEU 120 2.269 -2.664 8.946 925 1HD1 LEU 120 1HD1 LEU 120 4.177 -3.001 10.497 926 2HD1 LEU 120 2HD1 LEU 120 4.572 -4.534 9.699 927 3HD1 LEU 120 3HD1 LEU 120 4.728 -3.000 8.817 928 1HD2 LEU 120 1HD2 LEU 120 3.067 -5.384 7.820 929 2HD2 LEU 120 2HD2 LEU 120 1.674 -4.399 7.323 930 3HD2 LEU 120 3HD2 LEU 120 3.308 -3.817 7.015 931 H ASN 121 H ASN 121 0.121 -4.676 12.408 932 HA ASN 121 HA ASN 121 -0.148 -7.367 13.064 933 1HB ASN 121 1HB ASN 121 0.021 -5.744 14.829 934 2HB ASN 121 2HB ASN 121 -1.420 -4.890 14.299 935 1HD2 ASN 121 1HD2 ASN 121 -0.290 -7.864 15.877 936 2HD2 ASN 121 2HD2 ASN 121 -1.878 -8.535 16.217 937 H LYS 122 H LYS 122 -2.718 -5.112 12.134 938 HA LYS 122 HA LYS 122 -4.935 -6.822 12.245 939 1HB LYS 122 1HB LYS 122 -4.291 -4.253 11.121 940 2HB LYS 122 2HB LYS 122 -5.222 -5.152 9.934 941 1HG LYS 122 1HG LYS 122 -7.064 -5.368 11.334 942 2HG LYS 122 2HG LYS 122 -6.144 -5.033 12.816 943 1HD LYS 122 1HD LYS 122 -6.406 -2.938 10.641 944 2HD LYS 122 2HD LYS 122 -7.694 -3.179 11.801 945 1HE LYS 122 1HE LYS 122 -4.793 -2.618 12.602 946 2HE LYS 122 2HE LYS 122 -6.004 -1.357 12.374 947 1HZ LYS 122 1HZ LYS 122 -6.054 -1.765 14.586 948 2HZ LYS 122 2HZ LYS 122 -7.351 -2.622 14.082 949 3HZ LYS 122 3HZ LYS 122 -5.927 -3.400 14.487 950 H ILE 123 H ILE 123 -3.048 -6.206 9.178 951 HA ILE 123 HA ILE 123 -4.469 -8.414 7.964 952 HB ILE 123 HB ILE 123 -2.863 -8.169 6.081 953 1HG1 ILE 123 1HG1 ILE 123 -1.651 -6.039 7.878 954 2HG1 ILE 123 2HG1 ILE 123 -0.854 -7.455 7.219 955 1HG2 ILE 123 1HG2 ILE 123 -5.037 -6.953 6.313 956 2HG2 ILE 123 2HG2 ILE 123 -4.137 -5.570 7.003 957 3HG2 ILE 123 3HG2 ILE 123 -3.834 -6.113 5.346 958 1HD1 ILE 123 1HD1 ILE 123 -1.910 -5.084 5.613 959 2HD1 ILE 123 2HD1 ILE 123 -0.263 -5.385 6.130 960 3HD1 ILE 123 3HD1 ILE 123 -1.030 -6.509 4.975 961 H PHE 124 H PHE 124 -1.443 -8.317 9.768 962 HA PHE 124 HA PHE 124 -0.366 -10.809 8.986 963 1HB PHE 124 1HB PHE 124 -0.369 -9.366 11.650 964 2HB PHE 124 2HB PHE 124 0.530 -10.830 11.345 965 HD1 PHE 124 1HD PHE 124 1.022 -9.243 8.287 966 HD2 PHE 124 2HD PHE 124 2.025 -8.795 12.458 967 HE1 PHE 124 1HE PHE 124 3.087 -8.089 7.657 968 HE2 PHE 124 2HE PHE 124 4.107 -7.610 11.812 969 HZ PHE 124 HZ PHE 124 4.657 -7.270 9.419 970 H GLU 125 H GLU 125 -2.615 -10.063 11.729 971 HA GLU 125 HA GLU 125 -3.022 -12.940 12.062 972 1HB GLU 125 1HB GLU 125 -4.249 -10.592 13.530 973 2HB GLU 125 2HB GLU 125 -4.358 -12.302 13.986 974 1HG GLU 125 1HG GLU 125 -1.760 -12.310 13.918 975 2HG GLU 125 2HG GLU 125 -1.855 -10.550 13.870 976 H LYS 126 H LYS 126 -4.902 -10.273 10.685 977 HA LYS 126 HA LYS 126 -7.399 -11.630 10.415 978 1HB LYS 126 1HB LYS 126 -7.161 -9.182 10.259 979 2HB LYS 126 2HB LYS 126 -6.195 -9.368 8.793 980 1HG LYS 126 1HG LYS 126 -8.261 -10.515 7.773 981 2HG LYS 126 2HG LYS 126 -9.154 -9.875 9.144 982 1HD LYS 126 1HD LYS 126 -8.711 -7.603 8.488 983 2HD LYS 126 2HD LYS 126 -7.432 -8.098 7.373 984 1HE LYS 126 1HE LYS 126 -9.366 -7.509 6.074 985 2HE LYS 126 2HE LYS 126 -9.064 -9.244 5.924 986 1HZ LYS 126 1HZ LYS 126 -11.364 -8.782 6.203 987 2HZ LYS 126 2HZ LYS 126 -10.843 -9.627 7.511 988 3HZ LYS 126 3HZ LYS 126 -11.114 -7.997 7.632 989 H LEU 127 H LEU 127 -5.229 -10.787 7.652 990 HA LEU 127 HA LEU 127 -6.342 -12.804 5.986 991 1HB LEU 127 1HB LEU 127 -3.683 -11.470 5.519 992 2HB LEU 127 2HB LEU 127 -4.839 -12.041 4.332 993 HG LEU 127 HG LEU 127 -5.007 -9.512 6.031 994 1HD1 LEU 127 1HD1 LEU 127 -4.961 -8.369 3.853 995 2HD1 LEU 127 2HD1 LEU 127 -3.524 -9.372 4.082 996 3HD1 LEU 127 3HD1 LEU 127 -4.822 -9.931 3.019 997 1HD2 LEU 127 1HD2 LEU 127 -7.240 -10.514 5.855 998 2HD2 LEU 127 2HD2 LEU 127 -7.111 -9.034 4.888 999 3HD2 LEU 127 3HD2 LEU 127 -7.064 -10.646 4.110 1000 H GLY 128 H GLY 128 -3.337 -12.572 7.924 1001 1HA GLY 128 1HA GLY 128 -2.154 -14.649 8.581 1002 2HA GLY 128 2HA GLY 128 -2.498 -15.293 6.988 1003 H MET 129 H MET 129 -1.545 -11.840 7.389 1004 HA MET 129 HA MET 129 0.592 -12.404 5.458 1005 1HB MET 129 2HB MET 129 -0.401 -9.786 6.636 1006 2HB MET 129 3HB MET 129 0.947 -9.899 5.501 1007 1HG MET 129 2HG MET 129 -1.896 -10.714 5.013 1008 2HG MET 129 3HG MET 129 -1.087 -9.316 4.329 1009 1HE MET 129 1HE MET 129 -2.780 -12.072 3.229 1010 2HE MET 129 2HE MET 129 -2.555 -10.673 2.150 1011 3HE MET 129 3HE MET 129 -2.052 -12.298 1.639 Start of MODEL 12 1 1H MET 1 H MET 1 22.725 -19.017 2.899 2 2H MET 1 2HN MET 1 21.497 -18.896 1.833 3 3H MET 1 3HN MET 1 22.982 -18.358 1.389 4 HA MET 1 HA MET 1 21.239 -17.256 3.469 5 1HB MET 1 2HB MET 1 22.849 -15.354 3.511 6 2HB MET 1 3HB MET 1 23.435 -16.843 4.251 7 1HG MET 1 2HG MET 1 25.071 -17.159 2.663 8 2HG MET 1 3HG MET 1 24.151 -16.417 1.373 9 1HE MET 1 1HE MET 1 26.887 -13.970 0.878 10 2HE MET 1 2HE MET 1 26.698 -15.737 0.792 11 3HE MET 1 3HE MET 1 25.417 -14.675 0.174 12 H ALA 2 H ALA 2 19.439 -16.974 2.068 13 HA ALA 2 HA ALA 2 19.481 -14.677 0.367 14 1HB ALA 2 1HB ALA 2 18.842 -15.850 -1.717 15 2HB ALA 2 2HB ALA 2 20.470 -16.336 -1.237 16 3HB ALA 2 3HB ALA 2 19.093 -17.422 -0.930 17 H ASP 3 H ASP 3 17.282 -14.114 -0.107 18 HA ASP 3 HA ASP 3 15.360 -15.475 1.721 19 1HB ASP 3 1HB ASP 3 16.307 -12.611 1.516 20 2HB ASP 3 2HB ASP 3 14.651 -12.915 2.008 21 H LYS 4 H LYS 4 13.150 -14.888 1.498 22 HA LYS 4 HA LYS 4 12.058 -15.402 -1.032 23 1HB LYS 4 1HB LYS 4 10.825 -14.125 1.440 24 2HB LYS 4 2HB LYS 4 9.883 -14.698 0.053 25 1HG LYS 4 1HG LYS 4 10.526 -16.989 0.413 26 2HG LYS 4 2HG LYS 4 11.780 -16.535 1.554 27 1HD LYS 4 1HD LYS 4 10.348 -17.108 3.115 28 2HD LYS 4 2HD LYS 4 9.654 -15.515 2.904 29 1HE LYS 4 1HE LYS 4 8.666 -18.058 1.490 30 2HE LYS 4 2HE LYS 4 8.079 -17.496 3.058 31 1HZ LYS 4 1HZ LYS 4 7.567 -15.340 1.768 32 2HZ LYS 4 2HZ LYS 4 7.569 -16.341 0.440 33 3HZ LYS 4 3HZ LYS 4 6.565 -16.646 1.700 34 H GLU 5 H GLU 5 13.416 -12.466 -0.091 35 HA GLU 5 HA GLU 5 13.551 -10.433 -1.017 36 1HB GLU 5 1HB GLU 5 13.466 -12.426 -3.146 37 2HB GLU 5 2HB GLU 5 12.939 -10.880 -3.758 38 1HG GLU 5 1HG GLU 5 15.498 -11.229 -2.143 39 2HG GLU 5 2HG GLU 5 15.404 -11.416 -3.891 40 H LEU 6 H LEU 6 10.982 -11.069 0.138 41 HA LEU 6 HA LEU 6 8.763 -10.062 -1.320 42 1HB LEU 6 1HB LEU 6 8.504 -11.252 0.789 43 2HB LEU 6 2HB LEU 6 9.320 -9.967 1.671 44 HG LEU 6 HG LEU 6 7.109 -8.854 0.081 45 1HD1 LEU 6 1HD1 LEU 6 6.329 -11.075 1.982 46 2HD1 LEU 6 2HD1 LEU 6 5.225 -9.863 1.286 47 3HD1 LEU 6 3HD1 LEU 6 6.074 -11.008 0.235 48 1HD2 LEU 6 1HD2 LEU 6 7.553 -8.997 3.095 49 2HD2 LEU 6 2HD2 LEU 6 8.135 -7.717 2.014 50 3HD2 LEU 6 3HD2 LEU 6 6.397 -7.938 2.236 51 H LYS 7 H LYS 7 8.593 -8.124 -2.248 52 HA LYS 7 HA LYS 7 10.084 -5.804 -1.236 53 1HB LYS 7 1HB LYS 7 8.685 -6.593 -3.711 54 2HB LYS 7 2HB LYS 7 8.275 -4.963 -3.244 55 1HG LYS 7 1HG LYS 7 10.133 -4.788 -4.656 56 2HG LYS 7 2HG LYS 7 10.744 -4.457 -3.030 57 1HD LYS 7 1HD LYS 7 11.654 -6.769 -2.895 58 2HD LYS 7 2HD LYS 7 10.924 -7.152 -4.470 59 1HE LYS 7 1HE LYS 7 12.314 -5.350 -5.512 60 2HE LYS 7 2HE LYS 7 13.078 -5.068 -3.940 61 1HZ LYS 7 1HZ LYS 7 13.937 -7.336 -4.023 62 2HZ LYS 7 2HZ LYS 7 13.191 -7.604 -5.439 63 3HZ LYS 7 3HZ LYS 7 14.420 -6.498 -5.364 64 H PHE 8 H PHE 8 9.010 -3.750 -0.906 65 HA PHE 8 HA PHE 8 6.110 -3.911 -0.165 66 1HB PHE 8 1HB PHE 8 8.415 -2.739 1.331 67 2HB PHE 8 2HB PHE 8 7.047 -1.659 1.104 68 HD1 PHE 8 1HD PHE 8 7.681 -5.231 2.163 69 HD2 PHE 8 2HD PHE 8 5.358 -1.636 2.622 70 HE1 PHE 8 1HE PHE 8 6.415 -6.261 4.031 71 HE2 PHE 8 2HE PHE 8 4.125 -2.652 4.508 72 HZ PHE 8 HZ PHE 8 4.701 -4.967 5.257 73 H LEU 9 H LEU 9 5.382 -3.319 -2.253 74 HA LEU 9 HA LEU 9 6.745 -1.130 -3.679 75 1HB LEU 9 1HB LEU 9 5.462 -2.974 -4.885 76 2HB LEU 9 2HB LEU 9 3.983 -2.297 -4.202 77 HG LEU 9 HG LEU 9 4.698 -0.036 -5.260 78 1HD1 LEU 9 1HD1 LEU 9 6.654 -1.898 -6.678 79 2HD1 LEU 9 2HD1 LEU 9 6.196 -0.301 -7.292 80 3HD1 LEU 9 3HD1 LEU 9 7.020 -0.432 -5.748 81 1HD2 LEU 9 1HD2 LEU 9 4.112 -2.282 -7.196 82 2HD2 LEU 9 2HD2 LEU 9 2.909 -1.459 -6.164 83 3HD2 LEU 9 3HD2 LEU 9 3.793 -0.540 -7.384 84 H VAL 10 H VAL 10 6.268 1.030 -3.361 85 HA VAL 10 HA VAL 10 3.744 1.725 -1.947 86 HB VAL 10 HB VAL 10 6.500 2.694 -1.251 87 1HG1 VAL 10 1HG1 VAL 10 3.892 3.393 0.143 88 2HG1 VAL 10 2HG1 VAL 10 5.505 4.034 0.517 89 3HG1 VAL 10 3HG1 VAL 10 4.713 4.454 -0.992 90 1HG2 VAL 10 1HG2 VAL 10 6.446 0.612 -0.239 91 2HG2 VAL 10 2HG2 VAL 10 6.155 1.788 1.029 92 3HG2 VAL 10 3HG2 VAL 10 4.802 0.851 0.365 93 H VAL 11 H VAL 11 2.675 3.227 -3.146 94 HA VAL 11 HA VAL 11 4.172 4.986 -5.040 95 HB VAL 11 HB VAL 11 1.531 3.723 -5.851 96 1HG1 VAL 11 1HG1 VAL 11 3.895 4.808 -7.423 97 2HG1 VAL 11 2HG1 VAL 11 2.355 4.206 -8.066 98 3HG1 VAL 11 3HG1 VAL 11 2.388 5.677 -7.092 99 1HG2 VAL 11 1HG2 VAL 11 2.887 1.769 -5.363 100 2HG2 VAL 11 2HG2 VAL 11 2.807 2.018 -7.092 101 3HG2 VAL 11 3HG2 VAL 11 4.283 2.476 -6.219 102 H ASP 12 H ASP 12 3.808 6.389 -2.960 103 HA ASP 12 HA ASP 12 1.069 6.931 -2.163 104 1HB ASP 12 1HB ASP 12 3.672 8.211 -1.266 105 2HB ASP 12 2HB ASP 12 2.096 8.439 -0.506 106 H ASP 13 H ASP 13 0.284 9.245 -1.845 107 HA ASP 13 HA ASP 13 0.051 10.390 -4.364 108 1HB ASP 13 1HB ASP 13 -1.569 11.764 -3.570 109 2HB ASP 13 2HB ASP 13 -1.569 10.510 -2.346 110 H PHE 14 H PHE 14 2.455 10.998 -2.101 111 HA PHE 14 HA PHE 14 3.482 13.414 -3.475 112 1HB PHE 14 1HB PHE 14 2.041 14.070 -1.562 113 2HB PHE 14 2HB PHE 14 2.910 12.982 -0.499 114 HD1 PHE 14 1HD PHE 14 2.946 14.917 1.005 115 HD2 PHE 14 2HD PHE 14 4.924 15.077 -2.837 116 HE1 PHE 14 1HE PHE 14 4.157 16.953 1.698 117 HE2 PHE 14 2HE PHE 14 6.166 17.057 -2.103 118 HZ PHE 14 HZ PHE 14 5.752 18.036 0.154 119 H SER 15 H SER 15 5.702 13.029 -3.810 120 HA SER 15 HA SER 15 6.974 10.668 -3.190 121 1HB SER 15 1HB SER 15 8.308 13.386 -3.448 122 2HB SER 15 2HB SER 15 9.118 11.816 -3.618 123 HG SER 15 HG SER 15 8.073 11.432 -5.491 124 H THR 16 H THR 16 6.949 13.636 -1.129 125 HA THR 16 HA THR 16 8.661 12.795 0.886 126 HB THR 16 HB THR 16 6.067 14.359 1.192 127 HG1 THR 16 1HG THR 16 7.082 15.857 0.191 128 1HG2 THR 16 1HG2 THR 16 8.564 14.108 2.927 129 2HG2 THR 16 2HG2 THR 16 7.399 15.435 3.092 130 3HG2 THR 16 3HG2 THR 16 6.884 13.770 3.383 131 H MET 17 H MET 17 5.124 11.862 0.444 132 HA MET 17 HA MET 17 5.081 10.515 2.955 133 1HB MET 17 1HB MET 17 3.238 10.886 0.686 134 2HB MET 17 2HB MET 17 3.192 9.255 1.369 135 1HG MET 17 1HG MET 17 3.007 10.153 3.631 136 2HG MET 17 2HG MET 17 3.061 11.804 3.000 137 1HE MET 17 1HE MET 17 1.354 12.911 1.633 138 2HE MET 17 2HE MET 17 0.973 11.638 0.444 139 3HE MET 17 3HE MET 17 -0.318 12.367 1.418 140 H ARG 18 H ARG 18 6.295 9.573 -0.288 141 HA ARG 18 HA ARG 18 6.259 6.751 0.430 142 1HB ARG 18 1HB ARG 18 6.091 7.288 -1.847 143 2HB ARG 18 2HB ARG 18 7.435 8.416 -1.817 144 1HG ARG 18 1HG ARG 18 8.005 6.403 -3.030 145 2HG ARG 18 2HG ARG 18 9.027 6.599 -1.588 146 1HD ARG 18 1HD ARG 18 7.475 4.964 -0.400 147 2HD ARG 18 2HD ARG 18 6.598 4.842 -1.929 148 HE ARG 18 HE ARG 18 8.019 3.272 -2.572 149 1HH1 ARG 18 2HH2 ARG 18 9.807 5.237 -0.240 150 2HH1 ARG 18 1HH2 ARG 18 11.329 4.812 -0.960 151 1HH2 ARG 18 2HH1 ARG 18 9.833 2.102 -2.743 152 2HH2 ARG 18 1HH1 ARG 18 11.387 2.571 -2.126 153 H ARG 19 H ARG 19 8.395 9.453 0.938 154 HA ARG 19 HA ARG 19 10.724 7.884 1.727 155 1HB ARG 19 1HB ARG 19 10.041 10.834 1.969 156 2HB ARG 19 2HB ARG 19 11.331 10.117 2.912 157 1HG ARG 19 1HG ARG 19 12.368 10.984 0.949 158 2HG ARG 19 2HG ARG 19 12.368 9.221 0.810 159 1HD ARG 19 1HD ARG 19 10.156 9.520 -0.467 160 2HD ARG 19 2HD ARG 19 10.598 11.225 -0.614 161 HE ARG 19 HE ARG 19 12.793 9.936 -1.582 162 1HH1 ARG 19 2HH2 ARG 19 9.325 9.562 -2.287 163 2HH1 ARG 19 1HH2 ARG 19 9.591 8.676 -3.765 164 1HH2 ARG 19 2HH1 ARG 19 13.126 8.654 -3.400 165 2HH2 ARG 19 1HH1 ARG 19 11.805 8.014 -4.327 166 H ILE 20 H ILE 20 8.111 9.679 3.380 167 HA ILE 20 HA ILE 20 8.733 8.993 6.023 168 HB ILE 20 HB ILE 20 6.330 10.008 4.576 169 1HG1 ILE 20 1HG1 ILE 20 6.459 11.827 6.129 170 2HG1 ILE 20 2HG1 ILE 20 7.610 10.977 7.158 171 1HG2 ILE 20 1HG2 ILE 20 4.974 10.022 6.675 172 2HG2 ILE 20 2HG2 ILE 20 5.198 8.420 5.997 173 3HG2 ILE 20 3HG2 ILE 20 6.159 8.917 7.407 174 1HD1 ILE 20 1HD1 ILE 20 8.169 12.041 4.365 175 2HD1 ILE 20 2HD1 ILE 20 8.635 12.808 5.863 176 3HD1 ILE 20 3HD1 ILE 20 9.355 11.250 5.426 177 H VAL 21 H VAL 21 6.225 7.315 3.954 178 HA VAL 21 HA VAL 21 5.720 5.209 5.665 179 HB VAL 21 HB VAL 21 5.714 5.322 2.621 180 1HG1 VAL 21 1HG1 VAL 21 4.556 3.173 4.458 181 2HG1 VAL 21 2HG1 VAL 21 4.148 3.362 2.738 182 3HG1 VAL 21 3HG1 VAL 21 5.797 2.962 3.201 183 1HG2 VAL 21 1HG2 VAL 21 3.415 5.473 4.643 184 2HG2 VAL 21 2HG2 VAL 21 4.088 6.854 3.728 185 3HG2 VAL 21 3HG2 VAL 21 3.285 5.550 2.879 186 H ARG 22 H ARG 22 8.339 5.308 3.077 187 HA ARG 22 HA ARG 22 9.308 2.729 3.668 188 1HB ARG 22 1HB ARG 22 10.131 3.984 1.762 189 2HB ARG 22 2HB ARG 22 10.807 5.242 2.810 190 1HG ARG 22 1HG ARG 22 12.329 3.431 3.802 191 2HG ARG 22 2HG ARG 22 11.767 2.356 2.569 192 1HD ARG 22 1HD ARG 22 12.883 3.667 0.852 193 2HD ARG 22 2HD ARG 22 12.888 5.100 1.866 194 HE ARG 22 HE ARG 22 14.625 4.335 3.159 195 1HH1 ARG 22 2HH2 ARG 22 14.218 2.323 0.294 196 2HH1 ARG 22 1HH2 ARG 22 15.395 1.146 0.681 197 1HH2 ARG 22 2HH1 ARG 22 16.576 3.105 3.467 198 2HH2 ARG 22 1HH1 ARG 22 17.001 1.889 2.296 199 H ASN 23 H ASN 23 10.183 5.877 5.212 200 HA ASN 23 HA ASN 23 12.162 4.886 6.955 201 1HB ASN 23 1HB ASN 23 10.645 7.383 6.641 202 2HB ASN 23 2HB ASN 23 10.807 6.965 8.334 203 1HD2 ASN 23 1HD2 ASN 23 12.744 7.457 9.354 204 2HD2 ASN 23 2HD2 ASN 23 14.197 7.922 8.498 205 H LEU 24 H LEU 24 8.654 5.313 7.504 206 HA LEU 24 HA LEU 24 8.612 4.453 10.218 207 1HB LEU 24 1HB LEU 24 6.438 4.204 8.096 208 2HB LEU 24 2HB LEU 24 6.182 4.034 9.828 209 HG LEU 24 HG LEU 24 7.152 6.584 8.486 210 1HD1 LEU 24 1HD1 LEU 24 4.952 6.088 7.710 211 2HD1 LEU 24 2HD1 LEU 24 4.368 5.823 9.361 212 3HD1 LEU 24 3HD1 LEU 24 4.887 7.447 8.829 213 1HD2 LEU 24 1HD2 LEU 24 6.477 6.038 11.349 214 2HD2 LEU 24 2HD2 LEU 24 7.931 6.739 10.668 215 3HD2 LEU 24 3HD2 LEU 24 6.422 7.660 10.635 216 H LEU 25 H LEU 25 8.220 2.602 7.177 217 HA LEU 25 HA LEU 25 7.795 0.039 8.350 218 1HB LEU 25 1HB LEU 25 8.853 1.057 5.702 219 2HB LEU 25 2HB LEU 25 8.964 -0.656 6.052 220 HG LEU 25 HG LEU 25 6.326 0.798 6.429 221 1HD1 LEU 25 1HD1 LEU 25 7.289 -0.429 3.819 222 2HD1 LEU 25 2HD1 LEU 25 5.673 0.247 4.158 223 3HD1 LEU 25 3HD1 LEU 25 7.088 1.306 4.139 224 1HD2 LEU 25 1HD2 LEU 25 5.396 -1.428 6.033 225 2HD2 LEU 25 2HD2 LEU 25 6.999 -2.085 5.670 226 3HD2 LEU 25 3HD2 LEU 25 6.610 -1.545 7.312 227 H LYS 26 H LYS 26 10.851 1.690 7.386 228 HA LYS 26 HA LYS 26 12.501 -0.485 8.296 229 1HB LYS 26 1HB LYS 26 13.010 2.351 7.406 230 2HB LYS 26 2HB LYS 26 14.265 1.503 8.330 231 1HG LYS 26 1HG LYS 26 14.132 -0.426 6.816 232 2HG LYS 26 2HG LYS 26 12.928 0.400 5.817 233 1HD LYS 26 1HD LYS 26 14.487 1.910 4.961 234 2HD LYS 26 2HD LYS 26 15.618 1.711 6.310 235 1HE LYS 26 1HE LYS 26 14.948 -0.648 4.535 236 2HE LYS 26 2HE LYS 26 16.159 0.538 4.015 237 1HZ LYS 26 1HZ LYS 26 16.305 -0.944 6.568 238 2HZ LYS 26 2HZ LYS 26 17.157 -1.318 5.209 239 3HZ LYS 26 3HZ LYS 26 17.431 0.094 5.966 240 H GLU 27 H GLU 27 11.249 2.389 10.032 241 HA GLU 27 HA GLU 27 12.811 1.939 12.375 242 1HB GLU 27 1HB GLU 27 9.915 2.941 12.256 243 2HB GLU 27 2HB GLU 27 10.997 3.034 13.636 244 1HG GLU 27 1HG GLU 27 11.084 4.632 11.091 245 2HG GLU 27 2HG GLU 27 11.029 5.179 12.749 246 H LEU 28 H LEU 28 9.675 0.558 11.356 247 HA LEU 28 HA LEU 28 9.358 -1.026 13.719 248 1HB LEU 28 1HB LEU 28 8.138 -1.160 10.949 249 2HB LEU 28 2HB LEU 28 7.709 -2.320 12.208 250 HG LEU 28 HG LEU 28 7.551 0.685 12.702 251 1HD1 LEU 28 1HD1 LEU 28 6.169 0.195 10.757 252 2HD1 LEU 28 2HD1 LEU 28 5.353 -1.121 11.643 253 3HD1 LEU 28 3HD1 LEU 28 5.168 0.570 12.168 254 1HD2 LEU 28 1HD2 LEU 28 7.506 -0.770 14.720 255 2HD2 LEU 28 2HD2 LEU 28 5.959 0.012 14.452 256 3HD2 LEU 28 3HD2 LEU 28 6.167 -1.700 14.022 257 H GLY 29 H GLY 29 10.759 -1.743 10.538 258 1HA GLY 29 1HA GLY 29 12.941 -2.981 11.070 259 2HA GLY 29 2HA GLY 29 11.889 -4.305 11.578 260 H PHE 30 H PHE 30 10.317 -2.841 9.021 261 HA PHE 30 HA PHE 30 10.861 -5.098 7.257 262 1HB PHE 30 1HB PHE 30 9.058 -2.661 7.162 263 2HB PHE 30 2HB PHE 30 9.213 -3.766 5.807 264 HD1 PHE 30 1HD PHE 30 8.330 -3.731 9.496 265 HD2 PHE 30 2HD PHE 30 7.911 -5.693 5.685 266 HE1 PHE 30 1HE PHE 30 6.647 -5.255 10.464 267 HE2 PHE 30 2HE PHE 30 6.098 -7.120 6.619 268 HZ PHE 30 HZ PHE 30 5.506 -6.935 9.034 269 H ASN 31 H ASN 31 11.661 -4.841 5.023 270 HA ASN 31 HA ASN 31 13.009 -2.318 4.384 271 1HB ASN 31 1HB ASN 31 15.199 -3.189 4.148 272 2HB ASN 31 2HB ASN 31 14.672 -3.698 5.741 273 1HD2 ASN 31 1HD2 ASN 31 14.227 -6.063 6.070 274 2HD2 ASN 31 2HD2 ASN 31 14.738 -7.209 4.866 275 H ASN 32 H ASN 32 14.286 -2.799 2.179 276 HA ASN 32 HA ASN 32 13.983 -2.857 -0.030 277 1HB ASN 32 1HB ASN 32 13.075 -5.657 0.628 278 2HB ASN 32 2HB ASN 32 13.285 -5.065 -1.022 279 1HD2 ASN 32 1HD2 ASN 32 14.743 -7.218 -0.037 280 2HD2 ASN 32 2HD2 ASN 32 16.442 -6.753 -0.091 281 H VAL 33 H VAL 33 12.336 -1.223 0.754 282 HA VAL 33 HA VAL 33 9.661 -1.683 -0.270 283 HB VAL 33 HB VAL 33 9.588 0.820 -0.263 284 1HG1 VAL 33 1HG1 VAL 33 10.552 -0.393 2.375 285 2HG1 VAL 33 2HG1 VAL 33 9.655 1.126 2.169 286 3HG1 VAL 33 3HG1 VAL 33 8.892 -0.403 1.755 287 1HG2 VAL 33 1HG2 VAL 33 11.367 2.141 0.451 288 2HG2 VAL 33 2HG2 VAL 33 12.301 0.761 1.121 289 3HG2 VAL 33 3HG2 VAL 33 12.171 1.016 -0.614 290 H GLU 34 H GLU 34 8.948 -0.665 -2.334 291 HA GLU 34 HA GLU 34 11.038 -0.055 -4.316 292 1HB GLU 34 1HB GLU 34 9.223 -2.390 -4.402 293 2HB GLU 34 2HB GLU 34 9.024 -1.350 -5.801 294 1HG GLU 34 1HG GLU 34 11.694 -2.444 -4.881 295 2HG GLU 34 2HG GLU 34 10.682 -3.134 -6.153 296 H GLU 35 H GLU 35 9.903 0.927 -6.263 297 HA GLU 35 HA GLU 35 7.814 2.885 -5.383 298 1HB GLU 35 1HB GLU 35 10.356 3.371 -6.999 299 2HB GLU 35 2HB GLU 35 9.122 4.578 -6.630 300 1HG GLU 35 1HG GLU 35 9.633 4.386 -4.245 301 2HG GLU 35 2HG GLU 35 10.887 3.170 -4.604 302 H ALA 36 H ALA 36 6.387 3.407 -7.015 303 HA ALA 36 HA ALA 36 6.984 2.516 -9.766 304 1HB ALA 36 1HB ALA 36 4.987 1.271 -8.637 305 2HB ALA 36 2HB ALA 36 4.173 2.851 -8.695 306 3HB ALA 36 3HB ALA 36 4.692 2.076 -10.182 307 H GLU 37 H GLU 37 5.882 4.154 -11.280 308 HA GLU 37 HA GLU 37 6.120 6.884 -10.147 309 1HB GLU 37 1HB GLU 37 6.017 7.699 -12.323 310 2HB GLU 37 2HB GLU 37 7.077 6.324 -12.360 311 1HG GLU 37 1HG GLU 37 5.880 5.306 -13.944 312 2HG GLU 37 2HG GLU 37 4.395 5.422 -13.034 313 H ASP 38 H ASP 38 3.553 4.537 -10.815 314 HA ASP 38 HA ASP 38 1.477 6.189 -9.805 315 1HB ASP 38 1HB ASP 38 0.368 6.843 -11.694 316 2HB ASP 38 2HB ASP 38 1.997 7.028 -12.305 317 H GLY 39 H GLY 39 -0.654 4.930 -10.276 318 1HA GLY 39 1HA GLY 39 -0.575 2.287 -9.488 319 2HA GLY 39 2HA GLY 39 -1.959 3.090 -10.210 320 H VAL 40 H VAL 40 -0.670 3.494 -12.932 321 HA VAL 40 HA VAL 40 -1.238 0.887 -14.049 322 HB VAL 40 HB VAL 40 0.174 3.281 -15.301 323 1HG1 VAL 40 1HG1 VAL 40 -0.494 2.252 -17.443 324 2HG1 VAL 40 2HG1 VAL 40 0.579 1.190 -16.544 325 3HG1 VAL 40 3HG1 VAL 40 -1.167 0.852 -16.577 326 1HG2 VAL 40 1HG2 VAL 40 -2.773 2.486 -15.469 327 2HG2 VAL 40 2HG2 VAL 40 -2.138 3.857 -14.543 328 3HG2 VAL 40 3HG2 VAL 40 -1.983 3.850 -16.294 329 H ASP 41 H ASP 41 1.767 2.790 -13.450 330 HA ASP 41 HA ASP 41 3.572 0.710 -14.113 331 1HB ASP 41 1HB ASP 41 4.193 3.097 -13.793 332 2HB ASP 41 2HB ASP 41 3.929 2.933 -12.073 333 H ALA 42 H ALA 42 1.802 1.393 -11.006 334 HA ALA 42 HA ALA 42 3.199 -0.452 -9.449 335 1HB ALA 42 1HB ALA 42 1.384 -0.234 -7.878 336 2HB ALA 42 2HB ALA 42 1.538 1.343 -8.690 337 3HB ALA 42 3HB ALA 42 0.251 0.222 -9.152 338 H LEU 43 H LEU 43 0.277 -0.932 -11.478 339 HA LEU 43 HA LEU 43 -0.064 -3.688 -10.707 340 1HB LEU 43 1HB LEU 43 -1.799 -2.216 -11.888 341 2HB LEU 43 2HB LEU 43 -0.845 -2.406 -13.358 342 HG LEU 43 HG LEU 43 -1.105 -4.994 -12.929 343 1HD1 LEU 43 1HD1 LEU 43 -3.107 -5.647 -11.698 344 2HD1 LEU 43 2HD1 LEU 43 -1.993 -4.814 -10.617 345 3HD1 LEU 43 3HD1 LEU 43 -3.419 -3.956 -11.239 346 1HD2 LEU 43 1HD2 LEU 43 -2.170 -3.851 -14.796 347 2HD2 LEU 43 2HD2 LEU 43 -3.303 -5.000 -14.074 348 3HD2 LEU 43 3HD2 LEU 43 -3.468 -3.271 -13.738 349 H ASN 44 H ASN 44 1.718 -2.068 -13.363 350 HA ASN 44 HA ASN 44 2.516 -4.514 -14.615 351 1HB ASN 44 1HB ASN 44 2.571 -2.205 -15.673 352 2HB ASN 44 2HB ASN 44 4.029 -1.871 -14.723 353 1HD2 ASN 44 1HD2 ASN 44 5.625 -1.930 -16.383 354 2HD2 ASN 44 2HD2 ASN 44 5.896 -3.323 -17.408 355 H LYS 45 H LYS 45 4.103 -2.465 -12.208 356 HA LYS 45 HA LYS 45 6.502 -3.862 -11.680 357 1HB LYS 45 1HB LYS 45 4.602 -2.266 -9.911 358 2HB LYS 45 2HB LYS 45 6.088 -2.917 -9.297 359 1HG LYS 45 1HG LYS 45 6.309 -1.300 -11.788 360 2HG LYS 45 2HG LYS 45 5.797 -0.418 -10.345 361 1HD LYS 45 1HD LYS 45 7.790 -1.067 -9.131 362 2HD LYS 45 2HD LYS 45 8.324 -2.107 -10.449 363 1HE LYS 45 1HE LYS 45 8.032 0.929 -10.490 364 2HE LYS 45 2HE LYS 45 9.547 0.018 -10.490 365 1HZ LYS 45 1HZ LYS 45 8.791 -0.908 -12.670 366 2HZ LYS 45 2HZ LYS 45 7.521 0.142 -12.628 367 3HZ LYS 45 3HZ LYS 45 9.012 0.750 -12.717 368 H LEU 46 H LEU 46 3.200 -4.283 -10.192 369 HA LEU 46 HA LEU 46 3.991 -6.457 -8.632 370 1HB LEU 46 1HB LEU 46 1.412 -5.217 -9.459 371 2HB LEU 46 2HB LEU 46 1.271 -6.947 -9.251 372 HG LEU 46 HG LEU 46 0.711 -5.821 -7.195 373 1HD1 LEU 46 1HD1 LEU 46 1.734 -8.039 -7.091 374 2HD1 LEU 46 2HD1 LEU 46 3.342 -7.342 -6.914 375 3HD1 LEU 46 3HD1 LEU 46 2.143 -7.076 -5.663 376 1HD2 LEU 46 1HD2 LEU 46 2.513 -4.592 -5.907 377 2HD2 LEU 46 2HD2 LEU 46 3.482 -4.576 -7.368 378 3HD2 LEU 46 3HD2 LEU 46 1.902 -3.770 -7.343 379 H GLN 47 H GLN 47 2.536 -6.519 -11.918 380 HA GLN 47 HA GLN 47 2.696 -9.401 -12.059 381 1HB GLN 47 1HB GLN 47 2.392 -7.266 -14.205 382 2HB GLN 47 2HB GLN 47 2.401 -9.004 -14.519 383 1HG GLN 47 1HG GLN 47 0.522 -9.125 -12.703 384 2HG GLN 47 2HG GLN 47 0.342 -7.391 -12.999 385 1HE2 GLN 47 1HE2 GLN 47 -1.163 -10.112 -13.722 386 2HE2 GLN 47 2HE2 GLN 47 -1.521 -9.982 -15.428 387 H ALA 48 H ALA 48 5.176 -7.128 -12.088 388 HA ALA 48 HA ALA 48 7.126 -9.006 -13.320 389 1HB ALA 48 1HB ALA 48 8.525 -6.983 -13.639 390 2HB ALA 48 2HB ALA 48 7.000 -6.876 -14.526 391 3HB ALA 48 3HB ALA 48 7.202 -5.977 -13.009 392 H GLY 49 H GLY 49 5.912 -8.962 -10.466 393 1HA GLY 49 1HA GLY 49 8.471 -8.958 -8.998 394 2HA GLY 49 2HA GLY 49 7.162 -7.877 -8.493 395 H GLY 50 H GLY 50 8.287 -10.067 -6.975 396 1HA GLY 50 1HA GLY 50 5.814 -11.709 -6.539 397 2HA GLY 50 2HA GLY 50 7.396 -11.967 -5.788 398 H TYR 51 H TYR 51 5.837 -8.791 -6.222 399 HA TYR 51 HA TYR 51 6.827 -7.983 -3.688 400 1HB TYR 51 1HB TYR 51 4.887 -6.531 -5.519 401 2HB TYR 51 2HB TYR 51 5.797 -5.828 -4.205 402 HD1 TYR 51 1HD TYR 51 8.273 -7.873 -5.666 403 HD2 TYR 51 2HD TYR 51 5.867 -4.388 -6.527 404 HE1 TYR 51 1HE TYR 51 9.982 -7.086 -7.230 405 HE2 TYR 51 2HE TYR 51 7.657 -3.554 -8.030 406 HH TYR 51 HH TYR 51 10.692 -5.334 -8.598 407 H GLY 52 H GLY 52 5.873 -9.287 -2.141 408 1HA GLY 52 1HA GLY 52 3.157 -9.953 -2.021 409 2HA GLY 52 2HA GLY 52 4.301 -10.173 -0.719 410 H PHE 53 H PHE 53 4.358 -6.881 -1.309 411 HA PHE 53 HA PHE 53 1.951 -6.270 0.256 412 1HB PHE 53 1HB PHE 53 4.170 -6.606 1.678 413 2HB PHE 53 2HB PHE 53 4.538 -4.994 1.094 414 HD1 PHE 53 1HD PHE 53 2.463 -3.241 1.336 415 HD2 PHE 53 2HD PHE 53 2.972 -6.856 3.639 416 HE1 PHE 53 1HE PHE 53 1.036 -2.308 3.138 417 HE2 PHE 53 2HE PHE 53 1.664 -5.875 5.464 418 HZ PHE 53 HZ PHE 53 0.718 -3.535 5.223 419 H VAL 54 H VAL 54 0.972 -4.566 -0.576 420 HA VAL 54 HA VAL 54 2.351 -2.801 -2.526 421 HB VAL 54 HB VAL 54 -0.375 -4.161 -2.778 422 1HG1 VAL 54 1HG1 VAL 54 1.318 -2.888 -4.974 423 2HG1 VAL 54 2HG1 VAL 54 -0.203 -3.747 -5.195 424 3HG1 VAL 54 3HG1 VAL 54 -0.205 -2.219 -4.320 425 1HG2 VAL 54 1HG2 VAL 54 2.385 -5.031 -3.686 426 2HG2 VAL 54 2HG2 VAL 54 1.114 -5.964 -2.875 427 3HG2 VAL 54 3HG2 VAL 54 0.945 -5.500 -4.566 428 H ILE 55 H ILE 55 2.044 -0.691 -2.063 429 HA ILE 55 HA ILE 55 -0.216 0.222 -0.406 430 HB ILE 55 HB ILE 55 2.638 1.207 -0.176 431 1HG1 ILE 55 1HG1 ILE 55 1.332 -1.011 1.353 432 2HG1 ILE 55 2HG1 ILE 55 2.880 -1.022 0.523 433 1HG2 ILE 55 1HG2 ILE 55 0.872 2.780 0.568 434 2HG2 ILE 55 2HG2 ILE 55 0.379 1.570 1.784 435 3HG2 ILE 55 3HG2 ILE 55 1.989 2.329 1.832 436 1HD1 ILE 55 1HD1 ILE 55 3.203 -1.105 2.916 437 2HD1 ILE 55 2HD1 ILE 55 3.837 0.430 2.316 438 3HD1 ILE 55 3HD1 ILE 55 2.276 0.364 3.166 439 H SER 56 H SER 56 -1.174 2.141 -1.245 440 HA SER 56 HA SER 56 0.420 3.767 -3.032 441 1HB SER 56 1HB SER 56 -1.077 3.658 -4.964 442 2HB SER 56 2HB SER 56 -0.418 2.053 -4.624 443 HG SER 56 HG SER 56 -2.983 3.089 -4.095 444 H ASP 57 H ASP 57 -0.669 5.740 -3.626 445 HA ASP 57 HA ASP 57 -2.686 6.753 -1.781 446 1HB ASP 57 1HB ASP 57 -1.315 8.349 -2.529 447 2HB ASP 57 2HB ASP 57 -1.189 7.743 -4.184 448 H TRP 58 H TRP 58 -4.644 7.626 -2.583 449 HA TRP 58 HA TRP 58 -6.341 5.700 -3.983 450 1HB TRP 58 1HB TRP 58 -7.017 6.955 -1.887 451 2HB TRP 58 2HB TRP 58 -6.959 8.460 -2.795 452 HD1 TRP 58 HD TRP 58 -8.792 8.579 -4.946 453 HE1 TRP 58 1HE TRP 58 -11.004 7.384 -5.323 454 HE3 TRP 58 3HE TRP 58 -8.218 4.887 -1.514 455 HZ2 TRP 58 2HZ TRP 58 -12.566 5.314 -3.913 456 HZ3 TRP 58 3HZ TRP 58 -10.017 3.228 -1.147 457 HH2 TRP 58 HH TRP 58 -12.182 3.486 -2.219 458 H ASN 59 H ASN 59 -5.329 9.140 -4.255 459 HA ASN 59 HA ASN 59 -7.097 9.644 -6.459 460 1HB ASN 59 1HB ASN 59 -5.121 11.223 -4.800 461 2HB ASN 59 2HB ASN 59 -5.772 11.945 -6.258 462 1HD2 ASN 59 1HD2 ASN 59 -6.846 13.594 -5.086 463 2HD2 ASN 59 2HD2 ASN 59 -8.189 13.251 -4.021 464 H MET 60 H MET 60 -4.957 7.727 -7.036 465 HA MET 60 HA MET 60 -2.705 8.912 -8.324 466 1HB MET 60 1HB MET 60 -2.975 6.628 -7.189 467 2HB MET 60 2HB MET 60 -3.861 6.109 -8.600 468 1HG MET 60 1HG MET 60 -2.010 5.564 -9.588 469 2HG MET 60 2HG MET 60 -1.459 7.232 -9.604 470 1HE MET 60 1HE MET 60 -1.123 7.861 -6.450 471 2HE MET 60 2HE MET 60 0.606 7.500 -6.265 472 3HE MET 60 3HE MET 60 0.021 8.338 -7.717 473 HA PRO 61 HA PRO 61 -5.079 9.857 -12.026 474 1HB PRO 61 1HB PRO 61 -3.072 10.368 -13.854 475 2HB PRO 61 2HB PRO 61 -3.574 11.515 -12.569 476 1HG PRO 61 1HG PRO 61 -1.252 9.572 -12.534 477 2HG PRO 61 2HG PRO 61 -1.276 11.292 -12.046 478 1HD PRO 61 1HD PRO 61 -1.464 9.264 -10.236 479 2HD PRO 61 2HD PRO 61 -2.351 10.791 -10.006 480 H ASN 62 H ASN 62 -5.654 8.789 -13.985 481 HA ASN 62 HA ASN 62 -5.978 7.107 -15.423 482 1HB ASN 62 1HB ASN 62 -3.466 7.284 -15.851 483 2HB ASN 62 2HB ASN 62 -3.257 5.898 -14.820 484 1HD2 ASN 62 1HD2 ASN 62 -3.476 6.721 -17.954 485 2HD2 ASN 62 2HD2 ASN 62 -4.243 5.264 -18.617 486 H MET 63 H MET 63 -3.996 5.118 -13.325 487 HA MET 63 HA MET 63 -6.431 3.598 -12.526 488 1HB MET 63 1HB MET 63 -4.672 2.349 -13.652 489 2HB MET 63 2HB MET 63 -3.503 2.779 -12.398 490 1HG MET 63 1HG MET 63 -4.337 1.251 -10.942 491 2HG MET 63 2HG MET 63 -6.000 1.616 -11.335 492 1HE MET 63 1HE MET 63 -3.441 0.574 -14.123 493 2HE MET 63 2HE MET 63 -2.804 -0.320 -12.722 494 3HE MET 63 3HE MET 63 -3.544 -1.183 -14.093 495 H ASP 64 H ASP 64 -7.160 5.130 -11.018 496 HA ASP 64 HA ASP 64 -5.926 6.126 -8.722 497 1HB ASP 64 1HB ASP 64 -8.670 4.954 -9.114 498 2HB ASP 64 2HB ASP 64 -8.177 5.664 -7.607 499 H GLY 65 H GLY 65 -5.674 5.232 -6.547 500 1HA GLY 65 1HA GLY 65 -4.550 2.654 -6.363 501 2HA GLY 65 2HA GLY 65 -5.151 3.598 -4.994 502 H LEU 66 H LEU 66 -7.916 3.706 -5.957 503 HA LEU 66 HA LEU 66 -8.803 1.239 -4.796 504 1HB LEU 66 1HB LEU 66 -9.949 3.520 -4.728 505 2HB LEU 66 2HB LEU 66 -10.537 3.230 -6.356 506 HG LEU 66 HG LEU 66 -12.074 2.804 -4.395 507 1HD1 LEU 66 1HD1 LEU 66 -11.871 0.387 -6.115 508 2HD1 LEU 66 2HD1 LEU 66 -13.262 1.029 -5.197 509 3HD1 LEU 66 3HD1 LEU 66 -12.642 1.931 -6.588 510 1HD2 LEU 66 1HD2 LEU 66 -10.614 0.166 -4.139 511 2HD2 LEU 66 2HD2 LEU 66 -10.372 1.525 -3.007 512 3HD2 LEU 66 3HD2 LEU 66 -11.961 0.751 -3.175 513 H GLU 67 H GLU 67 -8.358 2.377 -8.111 514 HA GLU 67 HA GLU 67 -9.759 0.162 -9.384 515 1HB GLU 67 1HB GLU 67 -7.804 2.258 -10.427 516 2HB GLU 67 2HB GLU 67 -8.643 1.098 -11.439 517 1HG GLU 67 1HG GLU 67 -10.101 3.102 -9.653 518 2HG GLU 67 2HG GLU 67 -9.568 3.463 -11.289 519 H LEU 68 H LEU 68 -6.381 1.065 -8.598 520 HA LEU 68 HA LEU 68 -5.050 -1.202 -9.650 521 1HB LEU 68 1HB LEU 68 -3.893 0.809 -8.783 522 2HB LEU 68 2HB LEU 68 -4.466 0.452 -7.164 523 HG LEU 68 HG LEU 68 -3.142 -1.689 -7.180 524 1HD1 LEU 68 1HD1 LEU 68 -2.878 -2.084 -9.593 525 2HD1 LEU 68 2HD1 LEU 68 -2.042 -0.536 -9.776 526 3HD1 LEU 68 3HD1 LEU 68 -1.279 -1.849 -8.869 527 1HD2 LEU 68 1HD2 LEU 68 -2.320 0.381 -6.123 528 2HD2 LEU 68 2HD2 LEU 68 -0.991 -0.571 -6.802 529 3HD2 LEU 68 3HD2 LEU 68 -1.582 0.880 -7.650 530 H LEU 69 H LEU 69 -6.469 -0.663 -6.400 531 HA LEU 69 HA LEU 69 -6.068 -3.225 -5.282 532 1HB LEU 69 1HB LEU 69 -6.773 -1.669 -3.751 533 2HB LEU 69 2HB LEU 69 -7.942 -0.943 -4.840 534 HG LEU 69 HG LEU 69 -9.588 -2.469 -4.439 535 1HD1 LEU 69 1HD1 LEU 69 -8.170 -4.120 -2.349 536 2HD1 LEU 69 2HD1 LEU 69 -9.671 -4.424 -3.203 537 3HD1 LEU 69 3HD1 LEU 69 -8.131 -4.643 -4.030 538 1HD2 LEU 69 1HD2 LEU 69 -9.865 -2.197 -1.938 539 2HD2 LEU 69 2HD2 LEU 69 -8.147 -1.774 -1.860 540 3HD2 LEU 69 3HD2 LEU 69 -9.261 -0.720 -2.711 541 H LYS 70 H LYS 70 -9.042 -2.009 -7.001 542 HA LYS 70 HA LYS 70 -10.267 -4.592 -6.859 543 1HB LYS 70 1HB LYS 70 -10.755 -2.274 -8.756 544 2HB LYS 70 2HB LYS 70 -11.750 -3.742 -8.702 545 1HG LYS 70 1HG LYS 70 -12.325 -3.323 -6.350 546 2HG LYS 70 2HG LYS 70 -11.335 -1.862 -6.336 547 1HD LYS 70 1HD LYS 70 -12.695 -0.817 -8.041 548 2HD LYS 70 2HD LYS 70 -13.622 -2.294 -8.322 549 1HE LYS 70 1HE LYS 70 -14.694 -2.151 -6.153 550 2HE LYS 70 2HE LYS 70 -13.644 -0.810 -5.687 551 1HZ LYS 70 1HZ LYS 70 -15.843 -0.801 -7.603 552 2HZ LYS 70 2HZ LYS 70 -15.582 0.263 -6.385 553 3HZ LYS 70 3HZ LYS 70 -14.665 0.331 -7.737 554 H THR 71 H THR 71 -7.982 -3.315 -9.238 555 HA THR 71 HA THR 71 -8.299 -5.415 -11.164 556 HB THR 71 HB THR 71 -5.937 -3.604 -10.597 557 HG1 THR 71 1HG THR 71 -7.656 -2.370 -11.108 558 1HG2 THR 71 1HG2 THR 71 -5.387 -4.020 -12.942 559 2HG2 THR 71 2HG2 THR 71 -5.387 -5.562 -12.062 560 3HG2 THR 71 3HG2 THR 71 -6.755 -5.124 -13.106 561 H ILE 72 H ILE 72 -5.968 -4.970 -8.448 562 HA ILE 72 HA ILE 72 -4.790 -7.572 -8.625 563 HB ILE 72 HB ILE 72 -4.928 -5.272 -6.643 564 1HG1 ILE 72 1HG1 ILE 72 -2.630 -6.671 -8.087 565 2HG1 ILE 72 2HG1 ILE 72 -3.418 -5.183 -8.597 566 1HG2 ILE 72 1HG2 ILE 72 -3.412 -6.453 -5.085 567 2HG2 ILE 72 2HG2 ILE 72 -5.023 -7.150 -5.130 568 3HG2 ILE 72 3HG2 ILE 72 -3.708 -7.945 -5.998 569 1HD1 ILE 72 1HD1 ILE 72 -2.587 -4.064 -6.480 570 2HD1 ILE 72 2HD1 ILE 72 -1.649 -5.531 -6.136 571 3HD1 ILE 72 3HD1 ILE 72 -1.316 -4.595 -7.587 572 H ARG 73 H ARG 73 -7.660 -6.421 -6.906 573 HA ARG 73 HA ARG 73 -8.017 -8.862 -5.450 574 1HB ARG 73 1HB ARG 73 -9.118 -6.320 -5.342 575 2HB ARG 73 2HB ARG 73 -10.469 -7.222 -5.972 576 1HG ARG 73 1HG ARG 73 -8.859 -8.168 -3.541 577 2HG ARG 73 2HG ARG 73 -10.094 -6.947 -3.374 578 1HD ARG 73 1HD ARG 73 -11.088 -9.316 -4.836 579 2HD ARG 73 2HD ARG 73 -10.466 -9.717 -3.244 580 HE ARG 73 HE ARG 73 -12.644 -7.777 -3.857 581 1HH1 ARG 73 2HH2 ARG 73 -10.912 -9.638 -1.336 582 2HH1 ARG 73 1HH2 ARG 73 -12.042 -9.211 -0.098 583 1HH2 ARG 73 2HH1 ARG 73 -14.195 -7.399 -2.275 584 2HH2 ARG 73 1HH1 ARG 73 -13.942 -7.928 -0.634 585 H ALA 74 H ALA 74 -8.671 -8.101 -8.781 586 HA ALA 74 HA ALA 74 -10.544 -10.367 -9.074 587 1HB ALA 74 1HB ALA 74 -10.991 -8.376 -10.413 588 2HB ALA 74 2HB ALA 74 -9.362 -8.494 -11.138 589 3HB ALA 74 3HB ALA 74 -10.572 -9.752 -11.448 590 H ASP 75 H ASP 75 -8.317 -11.143 -7.871 591 HA ASP 75 HA ASP 75 -6.927 -12.845 -7.813 592 1HB ASP 75 1HB ASP 75 -8.328 -13.734 -10.349 593 2HB ASP 75 2HB ASP 75 -7.168 -14.717 -9.440 594 H GLY 76 H GLY 76 -6.201 -13.659 -11.071 595 1HA GLY 76 1HA GLY 76 -4.092 -13.674 -12.000 596 2HA GLY 76 2HA GLY 76 -3.786 -12.080 -11.282 597 H ALA 77 H ALA 77 -4.861 -14.563 -9.143 598 HA ALA 77 HA ALA 77 -4.085 -15.555 -7.323 599 1HB ALA 77 1HB ALA 77 -1.229 -15.196 -8.229 600 2HB ALA 77 2HB ALA 77 -1.854 -16.323 -7.046 601 3HB ALA 77 3HB ALA 77 -2.266 -16.547 -8.755 602 H MET 78 H MET 78 -3.854 -12.348 -7.979 603 HA MET 78 HA MET 78 -2.030 -11.590 -5.826 604 1HB MET 78 1HB MET 78 -3.469 -9.938 -7.947 605 2HB MET 78 2HB MET 78 -2.283 -9.356 -6.791 606 1HG MET 78 1HG MET 78 -0.628 -11.004 -7.662 607 2HG MET 78 2HG MET 78 -1.761 -11.377 -8.966 608 1HE MET 78 1HE MET 78 0.514 -10.898 -10.398 609 2HE MET 78 2HE MET 78 1.285 -9.298 -10.451 610 3HE MET 78 3HE MET 78 1.378 -10.264 -8.972 611 H SER 79 H SER 79 -5.328 -12.276 -5.859 612 HA SER 79 HA SER 79 -6.363 -10.055 -4.451 613 1HB SER 79 1HB SER 79 -7.695 -11.893 -5.500 614 2HB SER 79 2HB SER 79 -7.214 -12.960 -4.165 615 HG SER 79 HG SER 79 -9.173 -12.123 -3.676 616 H ALA 80 H ALA 80 -4.188 -12.507 -3.305 617 HA ALA 80 HA ALA 80 -4.661 -12.157 -0.457 618 1HB ALA 80 1HB ALA 80 -2.335 -13.364 -2.023 619 2HB ALA 80 2HB ALA 80 -2.602 -13.502 -0.278 620 3HB ALA 80 3HB ALA 80 -3.760 -14.240 -1.399 621 H LEU 81 H LEU 81 -3.362 -9.943 -2.683 622 HA LEU 81 HA LEU 81 -1.077 -9.097 -1.092 623 1HB LEU 81 1HB LEU 81 -2.556 -7.867 -3.434 624 2HB LEU 81 2HB LEU 81 -1.176 -7.093 -2.661 625 HG LEU 81 HG LEU 81 -1.077 -9.853 -3.965 626 1HD1 LEU 81 1HD1 LEU 81 -1.480 -7.856 -5.495 627 2HD1 LEU 81 2HD1 LEU 81 0.030 -7.219 -4.941 628 3HD1 LEU 81 3HD1 LEU 81 0.019 -8.754 -5.807 629 1HD2 LEU 81 1HD2 LEU 81 1.051 -8.084 -2.686 630 2HD2 LEU 81 2HD2 LEU 81 0.630 -9.744 -2.262 631 3HD2 LEU 81 3HD2 LEU 81 1.432 -9.399 -3.798 632 HA PRO 82 HA PRO 82 -3.790 -6.611 1.466 633 1HB PRO 82 1HB PRO 82 -2.022 -5.653 3.273 634 2HB PRO 82 2HB PRO 82 -2.358 -7.395 3.155 635 1HG PRO 82 1HG PRO 82 -0.064 -5.884 1.872 636 2HG PRO 82 2HG PRO 82 0.017 -7.363 2.894 637 1HD PRO 82 1HD PRO 82 -0.029 -7.464 0.154 638 2HD PRO 82 2HD PRO 82 -0.808 -8.717 1.168 639 H VAL 83 H VAL 83 -3.680 -5.406 -0.903 640 HA VAL 83 HA VAL 83 -2.348 -3.016 -1.351 641 HB VAL 83 HB VAL 83 -4.477 -2.365 -2.615 642 1HG1 VAL 83 1HG1 VAL 83 -2.522 -3.304 -3.697 643 2HG1 VAL 83 2HG1 VAL 83 -3.028 -4.958 -3.266 644 3HG1 VAL 83 3HG1 VAL 83 -3.988 -3.986 -4.404 645 1HG2 VAL 83 1HG2 VAL 83 -5.276 -5.242 -1.947 646 2HG2 VAL 83 2HG2 VAL 83 -6.105 -3.766 -1.412 647 3HG2 VAL 83 3HG2 VAL 83 -6.017 -4.171 -3.133 648 H LEU 84 H LEU 84 -2.037 -1.406 -0.044 649 HA LEU 84 HA LEU 84 -4.049 -0.718 2.028 650 1HB LEU 84 1HB LEU 84 -1.919 -1.726 2.764 651 2HB LEU 84 2HB LEU 84 -1.015 -0.486 1.912 652 HG LEU 84 HG LEU 84 -1.778 1.231 3.445 653 1HD1 LEU 84 1HD1 LEU 84 -3.140 0.643 5.470 654 2HD1 LEU 84 2HD1 LEU 84 -4.029 0.620 3.954 655 3HD1 LEU 84 3HD1 LEU 84 -3.527 -0.919 4.694 656 1HD2 LEU 84 1HD2 LEU 84 0.155 -0.166 4.094 657 2HD2 LEU 84 2HD2 LEU 84 -0.735 0.398 5.515 658 3HD2 LEU 84 3HD2 LEU 84 -0.928 -1.278 4.958 659 H MET 85 H MET 85 -5.028 1.232 1.895 660 HA MET 85 HA MET 85 -4.130 3.114 -0.198 661 1HB MET 85 1HB MET 85 -6.495 3.288 1.702 662 2HB MET 85 2HB MET 85 -6.218 4.280 0.275 663 1HG MET 85 1HG MET 85 -6.710 1.265 0.240 664 2HG MET 85 2HG MET 85 -7.929 2.498 0.023 665 1HE MET 85 1HE MET 85 -4.286 1.629 -1.718 666 2HE MET 85 2HE MET 85 -5.378 0.227 -1.610 667 3HE MET 85 3HE MET 85 -5.023 0.968 -3.184 668 H VAL 86 H VAL 86 -2.620 4.682 0.294 669 HA VAL 86 HA VAL 86 -2.600 5.861 3.023 670 HB VAL 86 HB VAL 86 -0.147 5.060 1.411 671 1HG1 VAL 86 1HG1 VAL 86 -0.460 6.299 4.189 672 2HG1 VAL 86 2HG1 VAL 86 1.063 5.700 3.493 673 3HG1 VAL 86 3HG1 VAL 86 0.252 7.077 2.751 674 1HG2 VAL 86 1HG2 VAL 86 -1.174 3.081 2.346 675 2HG2 VAL 86 2HG2 VAL 86 0.260 3.484 3.309 676 3HG2 VAL 86 3HG2 VAL 86 -1.357 3.844 3.931 677 H THR 87 H THR 87 -3.182 7.985 2.780 678 HA THR 87 HA THR 87 -2.141 9.566 0.529 679 HB THR 87 HB THR 87 -3.893 8.240 -0.525 680 HG1 THR 87 1HG THR 87 -4.235 9.960 -1.533 681 1HG2 THR 87 1HG2 THR 87 -5.269 7.539 1.329 682 2HG2 THR 87 2HG2 THR 87 -5.736 9.208 1.687 683 3HG2 THR 87 3HG2 THR 87 -6.279 8.426 0.187 684 H ALA 88 H ALA 88 -3.042 11.807 0.606 685 HA ALA 88 HA ALA 88 -3.592 12.862 3.282 686 1HB ALA 88 1HB ALA 88 -4.212 14.231 0.636 687 2HB ALA 88 2HB ALA 88 -3.763 14.968 2.190 688 3HB ALA 88 3HB ALA 88 -2.555 14.101 1.213 689 H GLU 89 H GLU 89 -5.546 11.405 0.732 690 HA GLU 89 HA GLU 89 -7.897 12.973 1.261 691 1HB GLU 89 1HB GLU 89 -7.190 10.570 -0.453 692 2HB GLU 89 2HB GLU 89 -8.858 11.129 -0.344 693 1HG GLU 89 1HG GLU 89 -6.627 13.108 -0.957 694 2HG GLU 89 2HG GLU 89 -7.290 12.067 -2.191 695 H ALA 90 H ALA 90 -9.082 12.747 3.058 696 HA ALA 90 HA ALA 90 -9.746 10.102 4.221 697 1HB ALA 90 1HB ALA 90 -9.847 12.087 5.677 698 2HB ALA 90 2HB ALA 90 -11.009 12.866 4.590 699 3HB ALA 90 3HB ALA 90 -11.460 11.384 5.470 700 H LYS 91 H LYS 91 -12.112 12.399 2.989 701 HA LYS 91 HA LYS 91 -14.063 12.027 1.955 702 1HB LYS 91 1HB LYS 91 -12.467 12.015 -0.008 703 2HB LYS 91 2HB LYS 91 -12.470 10.264 0.071 704 1HG LYS 91 1HG LYS 91 -14.109 10.466 -1.485 705 2HG LYS 91 2HG LYS 91 -15.146 10.628 -0.079 706 1HD LYS 91 1HD LYS 91 -14.063 12.822 -1.881 707 2HD LYS 91 2HD LYS 91 -15.743 12.322 -1.661 708 1HE LYS 91 1HE LYS 91 -15.545 13.072 0.763 709 2HE LYS 91 2HE LYS 91 -13.939 13.726 0.352 710 1HZ LYS 91 1HZ LYS 91 -16.554 14.592 -0.667 711 2HZ LYS 91 2HZ LYS 91 -15.466 15.448 0.236 712 3HZ LYS 91 3HZ LYS 91 -15.123 15.098 -1.340 713 H LYS 92 H LYS 92 -15.285 11.041 3.461 714 HA LYS 92 HA LYS 92 -15.412 8.444 4.340 715 1HB LYS 92 1HB LYS 92 -17.622 10.364 3.485 716 2HB LYS 92 2HB LYS 92 -18.015 8.772 4.127 717 1HG LYS 92 1HG LYS 92 -16.953 9.245 6.227 718 2HG LYS 92 2HG LYS 92 -16.350 10.814 5.664 719 1HD LYS 92 1HD LYS 92 -18.491 11.789 5.651 720 2HD LYS 92 2HD LYS 92 -19.304 10.229 5.468 721 1HE LYS 92 1HE LYS 92 -18.472 9.636 7.806 722 2HE LYS 92 2HE LYS 92 -18.020 11.339 7.992 723 1HZ LYS 92 1HZ LYS 92 -20.747 10.348 7.373 724 2HZ LYS 92 2HZ LYS 92 -20.236 10.858 8.854 725 3HZ LYS 92 3HZ LYS 92 -20.333 11.917 7.632 726 H GLU 93 H GLU 93 -16.922 9.509 1.212 727 HA GLU 93 HA GLU 93 -17.800 6.991 0.446 728 1HB GLU 93 1HB GLU 93 -18.349 9.135 -0.635 729 2HB GLU 93 2HB GLU 93 -16.720 9.252 -1.315 730 1HG GLU 93 1HG GLU 93 -17.087 7.381 -2.761 731 2HG GLU 93 2HG GLU 93 -18.521 6.869 -1.859 732 H ASN 94 H ASN 94 -14.472 8.296 0.100 733 HA ASN 94 HA ASN 94 -13.456 6.118 -1.513 734 1HB ASN 94 1HB ASN 94 -11.977 7.890 0.490 735 2HB ASN 94 2HB ASN 94 -11.261 6.618 -0.460 736 1HD2 ASN 94 1HD2 ASN 94 -9.929 8.610 -0.862 737 2HD2 ASN 94 2HD2 ASN 94 -10.208 9.299 -2.439 738 H ILE 95 H ILE 95 -13.752 6.722 2.032 739 HA ILE 95 HA ILE 95 -12.480 4.244 2.757 740 HB ILE 95 HB ILE 95 -14.498 5.948 4.288 741 1HG1 ILE 95 1HG1 ILE 95 -12.485 6.043 5.881 742 2HG1 ILE 95 2HG1 ILE 95 -11.517 5.332 4.588 743 1HG2 ILE 95 1HG2 ILE 95 -14.094 4.494 6.252 744 2HG2 ILE 95 2HG2 ILE 95 -14.873 3.579 4.974 745 3HG2 ILE 95 3HG2 ILE 95 -13.135 3.386 5.241 746 1HD1 ILE 95 1HD1 ILE 95 -11.339 7.839 4.727 747 2HD1 ILE 95 2HD1 ILE 95 -11.972 7.306 3.177 748 3HD1 ILE 95 3HD1 ILE 95 -13.069 7.967 4.420 749 H ILE 96 H ILE 96 -15.931 4.947 2.003 750 HA ILE 96 HA ILE 96 -16.908 2.291 2.414 751 HB ILE 96 HB ILE 96 -17.925 4.568 0.676 752 1HG1 ILE 96 1HG1 ILE 96 -19.997 4.091 2.174 753 2HG1 ILE 96 2HG1 ILE 96 -18.928 3.099 3.157 754 1HG2 ILE 96 1HG2 ILE 96 -19.066 1.753 0.776 755 2HG2 ILE 96 2HG2 ILE 96 -19.932 3.172 0.157 756 3HG2 ILE 96 3HG2 ILE 96 -18.488 2.627 -0.663 757 1HD1 ILE 96 1HD1 ILE 96 -19.216 5.355 4.063 758 2HD1 ILE 96 2HD1 ILE 96 -17.536 5.106 3.596 759 3HD1 ILE 96 3HD1 ILE 96 -18.621 6.071 2.551 760 H ALA 97 H ALA 97 -15.782 3.855 -0.637 761 HA ALA 97 HA ALA 97 -16.018 1.603 -2.266 762 1HB ALA 97 1HB ALA 97 -15.671 3.709 -3.282 763 2HB ALA 97 2HB ALA 97 -14.198 4.027 -2.373 764 3HB ALA 97 3HB ALA 97 -14.205 2.783 -3.645 765 H ALA 98 H ALA 98 -13.239 2.570 -0.220 766 HA ALA 98 HA ALA 98 -11.432 0.563 -1.051 767 1HB ALA 98 1HB ALA 98 -10.195 1.089 0.951 768 2HB ALA 98 2HB ALA 98 -11.026 2.606 0.540 769 3HB ALA 98 3HB ALA 98 -11.653 1.600 1.826 770 H ALA 99 H ALA 99 -13.835 0.594 1.615 771 HA ALA 99 HA ALA 99 -13.195 -2.063 2.521 772 1HB ALA 99 1HB ALA 99 -15.699 -0.360 2.963 773 2HB ALA 99 2HB ALA 99 -15.166 -1.742 3.949 774 3HB ALA 99 3HB ALA 99 -14.211 -0.253 3.929 775 H GLN 100 H GLN 100 -15.599 -0.770 0.257 776 HA GLN 100 HA GLN 100 -17.040 -3.169 -0.308 777 1HB GLN 100 1HB GLN 100 -16.443 -0.608 -1.849 778 2HB GLN 100 2HB GLN 100 -17.406 -1.887 -2.548 779 1HG GLN 100 1HG GLN 100 -18.088 -0.552 0.113 780 2HG GLN 100 2HG GLN 100 -18.705 -0.023 -1.451 781 1HE2 GLN 100 1HE2 GLN 100 -19.420 -2.105 1.232 782 2HE2 GLN 100 2HE2 GLN 100 -20.591 -3.059 0.359 783 H ALA 101 H ALA 101 -14.161 -1.674 -2.023 784 HA ALA 101 HA ALA 101 -13.812 -3.818 -3.815 785 1HB ALA 101 1HB ALA 101 -12.859 -1.543 -4.051 786 2HB ALA 101 2HB ALA 101 -11.859 -1.806 -2.630 787 3HB ALA 101 3HB ALA 101 -11.608 -2.800 -4.091 788 H GLY 102 H GLY 102 -12.755 -3.379 -0.455 789 1HA GLY 102 1HA GLY 102 -12.342 -5.240 0.974 790 2HA GLY 102 2HA GLY 102 -11.800 -6.196 -0.405 791 H ALA 103 H ALA 103 -10.720 -2.848 0.368 792 HA ALA 103 HA ALA 103 -7.975 -3.511 -0.053 793 1HB ALA 103 1HB ALA 103 -9.199 -1.149 0.011 794 2HB ALA 103 2HB ALA 103 -8.764 -1.188 1.718 795 3HB ALA 103 3HB ALA 103 -7.498 -1.295 0.469 796 H SER 104 H SER 104 -6.154 -3.396 1.624 797 HA SER 104 HA SER 104 -6.726 -5.093 3.904 798 1HB SER 104 1HB SER 104 -4.400 -4.421 4.573 799 2HB SER 104 2HB SER 104 -4.524 -5.115 2.937 800 HG SER 104 HG SER 104 -3.383 -3.325 2.543 801 H GLY 105 H GLY 105 -6.417 -1.586 3.348 802 1HA GLY 105 1HA GLY 105 -8.012 -0.787 5.518 803 2HA GLY 105 2HA GLY 105 -6.308 -0.790 6.034 804 H TYR 106 H TYR 106 -7.139 1.497 6.255 805 HA TYR 106 HA TYR 106 -6.402 3.097 3.881 806 1HB TYR 106 1HB TYR 106 -8.995 2.710 4.411 807 2HB TYR 106 2HB TYR 106 -8.715 3.895 5.671 808 HD1 TYR 106 1HD TYR 106 -7.213 6.063 4.673 809 HD2 TYR 106 2HD TYR 106 -9.857 3.492 2.423 810 HE1 TYR 106 1HE TYR 106 -7.385 7.756 2.935 811 HE2 TYR 106 2HE TYR 106 -10.111 5.248 0.723 812 HH TYR 106 HH TYR 106 -8.697 8.503 1.230 813 H VAL 107 H VAL 107 -4.942 4.641 4.487 814 HA VAL 107 HA VAL 107 -4.809 5.571 7.310 815 HB VAL 107 HB VAL 107 -2.556 4.778 5.428 816 1HG1 VAL 107 1HG1 VAL 107 -2.416 6.199 8.110 817 2HG1 VAL 107 2HG1 VAL 107 -1.016 5.526 7.226 818 3HG1 VAL 107 3HG1 VAL 107 -1.943 6.848 6.525 819 1HG2 VAL 107 1HG2 VAL 107 -1.857 3.271 7.228 820 2HG2 VAL 107 2HG2 VAL 107 -3.197 3.827 8.250 821 3HG2 VAL 107 3HG2 VAL 107 -3.518 2.895 6.759 822 H VAL 108 H VAL 108 -5.742 7.556 7.070 823 HA VAL 108 HA VAL 108 -5.038 9.242 4.752 824 HB VAL 108 HB VAL 108 -6.568 10.125 7.230 825 1HG1 VAL 108 1HG1 VAL 108 -6.571 11.006 4.312 826 2HG1 VAL 108 2HG1 VAL 108 -7.554 11.734 5.599 827 3HG1 VAL 108 3HG1 VAL 108 -5.803 11.891 5.626 828 1HG2 VAL 108 1HG2 VAL 108 -8.665 9.639 6.101 829 2HG2 VAL 108 2HG2 VAL 108 -7.807 8.912 4.734 830 3HG2 VAL 108 3HG2 VAL 108 -7.776 8.137 6.332 831 H LYS 109 H LYS 109 -3.624 11.135 5.167 832 HA LYS 109 HA LYS 109 -1.986 11.012 7.565 833 1HB LYS 109 1HB LYS 109 -2.205 12.925 5.263 834 2HB LYS 109 2HB LYS 109 -1.691 13.626 6.798 835 1HG LYS 109 1HG LYS 109 -0.054 11.638 7.001 836 2HG LYS 109 2HG LYS 109 -0.392 11.334 5.293 837 1HD LYS 109 1HD LYS 109 0.558 13.466 4.678 838 2HD LYS 109 2HD LYS 109 0.636 13.995 6.356 839 1HE LYS 109 1HE LYS 109 2.251 11.733 5.096 840 2HE LYS 109 2HE LYS 109 2.837 13.361 5.471 841 1HZ LYS 109 1HZ LYS 109 3.526 12.097 7.279 842 2HZ LYS 109 2HZ LYS 109 2.186 12.827 7.829 843 3HZ LYS 109 3HZ LYS 109 2.112 11.247 7.380 844 HA PRO 110 HA PRO 110 -0.928 12.675 8.933 845 1HB PRO 110 1HB PRO 110 -0.673 13.009 11.585 846 2HB PRO 110 2HB PRO 110 -1.165 14.368 10.547 847 1HG PRO 110 1HG PRO 110 -2.980 12.570 12.181 848 2HG PRO 110 2HG PRO 110 -2.956 14.358 12.107 849 1HD PRO 110 1HD PRO 110 -4.654 12.804 10.578 850 2HD PRO 110 2HD PRO 110 -4.026 14.375 10.011 851 H PHE 111 H PHE 111 0.498 10.940 9.751 852 HA PHE 111 HA PHE 111 -0.679 8.719 11.187 853 1HB PHE 111 1HB PHE 111 -0.233 7.051 9.481 854 2HB PHE 111 2HB PHE 111 -1.439 8.182 8.924 855 HD1 PHE 111 1HD PHE 111 2.184 7.208 8.616 856 HD2 PHE 111 2HD PHE 111 -1.211 9.127 6.774 857 HE1 PHE 111 1HE PHE 111 3.348 7.214 6.435 858 HE2 PHE 111 2HE PHE 111 -0.056 9.088 4.609 859 HZ PHE 111 HZ PHE 111 2.232 8.153 4.421 860 H THR 112 H THR 112 0.971 7.127 11.807 861 HA THR 112 HA THR 112 3.740 7.711 11.088 862 HB THR 112 HB THR 112 4.503 7.690 13.421 863 HG1 THR 112 1HG THR 112 1.842 8.196 14.237 864 1HG2 THR 112 1HG2 THR 112 4.124 9.943 13.972 865 2HG2 THR 112 2HG2 THR 112 4.112 9.838 12.210 866 3HG2 THR 112 3HG2 THR 112 2.578 9.997 13.082 867 H ALA 113 H ALA 113 5.053 5.974 12.720 868 HA ALA 113 HA ALA 113 4.437 3.426 11.668 869 1HB ALA 113 1HB ALA 113 6.116 2.604 13.298 870 2HB ALA 113 2HB ALA 113 6.705 3.949 12.324 871 3HB ALA 113 3HB ALA 113 6.204 4.220 14.007 872 H ALA 114 H ALA 114 3.380 5.104 14.632 873 HA ALA 114 HA ALA 114 2.267 2.951 16.012 874 1HB ALA 114 1HB ALA 114 0.856 4.639 17.102 875 2HB ALA 114 2HB ALA 114 2.513 5.238 16.912 876 3HB ALA 114 3HB ALA 114 1.224 5.811 15.822 877 H THR 115 H THR 115 0.991 4.391 13.021 878 HA THR 115 HA THR 115 -1.470 2.744 13.405 879 HB THR 115 HB THR 115 -1.663 5.209 12.679 880 HG1 THR 115 1HG THR 115 -3.382 3.674 12.567 881 1HG2 THR 115 1HG2 THR 115 -0.068 5.228 10.802 882 2HG2 THR 115 2HG2 THR 115 -1.052 4.020 9.945 883 3HG2 THR 115 3HG2 THR 115 -1.724 5.615 10.305 884 H LEU 116 H LEU 116 1.419 3.235 11.356 885 HA LEU 116 HA LEU 116 0.942 1.390 9.334 886 1HB LEU 116 1HB LEU 116 2.912 3.025 9.763 887 2HB LEU 116 2HB LEU 116 3.613 1.734 10.725 888 HG LEU 116 HG LEU 116 4.677 1.828 8.627 889 1HD1 LEU 116 1HD1 LEU 116 2.903 -0.611 8.424 890 2HD1 LEU 116 2HD1 LEU 116 4.568 -0.406 7.886 891 3HD1 LEU 116 3HD1 LEU 116 4.208 -0.446 9.611 892 1HD2 LEU 116 1HD2 LEU 116 2.944 2.904 7.257 893 2HD2 LEU 116 2HD2 LEU 116 3.620 1.476 6.467 894 3HD2 LEU 116 3HD2 LEU 116 2.017 1.386 7.219 895 H GLU 117 H GLU 117 2.400 0.746 12.556 896 HA GLU 117 HA GLU 117 2.757 -2.046 12.257 897 1HB GLU 117 1HB GLU 117 3.345 -2.006 14.542 898 2HB GLU 117 2HB GLU 117 3.914 -0.527 13.810 899 1HG GLU 117 1HG GLU 117 3.085 0.492 15.616 900 2HG GLU 117 2HG GLU 117 1.520 0.368 14.821 901 H GLU 118 H GLU 118 -0.057 -0.148 13.232 902 HA GLU 118 HA GLU 118 -1.383 -2.373 14.527 903 1HB GLU 118 1HB GLU 118 -1.737 0.104 15.030 904 2HB GLU 118 2HB GLU 118 -2.614 0.205 13.493 905 1HG GLU 118 1HG GLU 118 -3.974 -1.856 14.447 906 2HG GLU 118 2HG GLU 118 -3.294 -1.405 15.987 907 H LYS 119 H LYS 119 -1.669 -0.658 11.360 908 HA LYS 119 HA LYS 119 -3.704 -2.457 10.350 909 1HB LYS 119 1HB LYS 119 -1.692 -1.148 8.552 910 2HB LYS 119 2HB LYS 119 -3.350 -1.616 8.199 911 1HG LYS 119 1HG LYS 119 -2.428 0.776 9.829 912 2HG LYS 119 2HG LYS 119 -3.044 0.776 8.189 913 1HD LYS 119 1HD LYS 119 -5.235 -0.063 9.020 914 2HD LYS 119 2HD LYS 119 -4.626 0.065 10.694 915 1HE LYS 119 1HE LYS 119 -4.241 2.453 10.443 916 2HE LYS 119 2HE LYS 119 -4.591 2.375 8.704 917 1HZ LYS 119 1HZ LYS 119 -6.553 1.856 10.827 918 2HZ LYS 119 2HZ LYS 119 -6.463 3.229 9.926 919 3HZ LYS 119 3HZ LYS 119 -6.838 1.798 9.203 920 H LEU 120 H LEU 120 -0.130 -2.553 10.337 921 HA LEU 120 HA LEU 120 0.212 -4.890 8.787 922 1HB LEU 120 1HB LEU 120 1.767 -3.737 11.106 923 2HB LEU 120 2HB LEU 120 2.165 -5.323 10.498 924 HG LEU 120 HG LEU 120 2.193 -2.818 8.792 925 1HD1 LEU 120 1HD1 LEU 120 3.906 -2.669 10.509 926 2HD1 LEU 120 2HD1 LEU 120 4.431 -4.327 10.190 927 3HD1 LEU 120 3HD1 LEU 120 4.685 -3.058 8.971 928 1HD2 LEU 120 1HD2 LEU 120 3.334 -5.576 8.225 929 2HD2 LEU 120 2HD2 LEU 120 1.886 -4.888 7.468 930 3HD2 LEU 120 3HD2 LEU 120 3.461 -4.146 7.184 931 H ASN 121 H ASN 121 -0.348 -4.662 12.370 932 HA ASN 121 HA ASN 121 -0.422 -7.442 12.765 933 1HB ASN 121 1HB ASN 121 -0.460 -5.570 14.519 934 2HB ASN 121 2HB ASN 121 -2.216 -5.545 14.319 935 1HD2 ASN 121 1HD2 ASN 121 0.573 -7.326 15.477 936 2HD2 ASN 121 2HD2 ASN 121 -0.286 -8.641 16.238 937 H LYS 122 H LYS 122 -3.084 -5.260 11.891 938 HA LYS 122 HA LYS 122 -5.211 -7.138 11.961 939 1HB LYS 122 1HB LYS 122 -4.831 -4.791 10.057 940 2HB LYS 122 2HB LYS 122 -6.332 -5.683 10.260 941 1HG LYS 122 1HG LYS 122 -6.588 -4.976 12.539 942 2HG LYS 122 2HG LYS 122 -4.947 -4.347 12.606 943 1HD LYS 122 1HD LYS 122 -5.815 -2.816 10.575 944 2HD LYS 122 2HD LYS 122 -7.376 -3.156 11.309 945 1HE LYS 122 1HE LYS 122 -4.945 -2.083 12.806 946 2HE LYS 122 2HE LYS 122 -6.169 -1.051 12.087 947 1HZ LYS 122 1HZ LYS 122 -6.569 -2.940 14.332 948 2HZ LYS 122 2HZ LYS 122 -6.811 -1.301 14.320 949 3HZ LYS 122 3HZ LYS 122 -7.827 -2.257 13.493 950 H ILE 123 H ILE 123 -3.048 -6.351 9.142 951 HA ILE 123 HA ILE 123 -4.206 -8.605 7.687 952 HB ILE 123 HB ILE 123 -2.464 -8.161 5.982 953 1HG1 ILE 123 1HG1 ILE 123 -1.629 -6.050 7.961 954 2HG1 ILE 123 2HG1 ILE 123 -0.635 -7.269 7.201 955 1HG2 ILE 123 1HG2 ILE 123 -3.616 -6.305 5.128 956 2HG2 ILE 123 2HG2 ILE 123 -4.801 -7.177 6.084 957 3HG2 ILE 123 3HG2 ILE 123 -4.064 -5.696 6.746 958 1HD1 ILE 123 1HD1 ILE 123 -1.911 -4.865 5.808 959 2HD1 ILE 123 2HD1 ILE 123 -0.276 -4.979 6.431 960 3HD1 ILE 123 3HD1 ILE 123 -0.777 -6.052 5.097 961 H PHE 124 H PHE 124 -1.480 -8.405 9.939 962 HA PHE 124 HA PHE 124 -0.203 -10.827 9.181 963 1HB PHE 124 1HB PHE 124 -0.776 -9.808 11.978 964 2HB PHE 124 2HB PHE 124 0.255 -11.151 11.561 965 HD1 PHE 124 1HD PHE 124 1.216 -9.074 9.006 966 HD2 PHE 124 2HD PHE 124 1.374 -9.263 13.316 967 HE1 PHE 124 1HE PHE 124 3.221 -7.691 8.981 968 HE2 PHE 124 2HE PHE 124 3.376 -7.813 13.287 969 HZ PHE 124 HZ PHE 124 4.306 -7.006 11.130 970 H GLU 125 H GLU 125 -3.019 -10.245 11.367 971 HA GLU 125 HA GLU 125 -3.494 -13.124 11.488 972 1HB GLU 125 1HB GLU 125 -5.214 -10.749 12.337 973 2HB GLU 125 2HB GLU 125 -5.588 -12.450 12.701 974 1HG GLU 125 1HG GLU 125 -3.384 -12.667 13.829 975 2HG GLU 125 2HG GLU 125 -3.081 -10.938 13.573 976 H LYS 126 H LYS 126 -4.920 -10.438 9.734 977 HA LYS 126 HA LYS 126 -7.159 -11.986 8.773 978 1HB LYS 126 1HB LYS 126 -7.277 -9.529 9.069 979 2HB LYS 126 2HB LYS 126 -6.176 -9.322 7.702 980 1HG LYS 126 1HG LYS 126 -7.901 -10.599 6.286 981 2HG LYS 126 2HG LYS 126 -8.988 -10.459 7.674 982 1HD LYS 126 1HD LYS 126 -8.923 -8.002 7.522 983 2HD LYS 126 2HD LYS 126 -7.641 -8.087 6.308 984 1HE LYS 126 1HE LYS 126 -9.497 -7.720 4.986 985 2HE LYS 126 2HE LYS 126 -9.281 -9.466 4.862 986 1HZ LYS 126 1HZ LYS 126 -11.217 -8.025 6.573 987 2HZ LYS 126 2HZ LYS 126 -11.589 -8.874 5.245 988 3HZ LYS 126 3HZ LYS 126 -11.050 -9.664 6.593 989 H LEU 127 H LEU 127 -4.371 -10.642 6.896 990 HA LEU 127 HA LEU 127 -5.071 -12.304 4.581 991 1HB LEU 127 1HB LEU 127 -2.803 -10.363 5.118 992 2HB LEU 127 2HB LEU 127 -2.994 -11.256 3.638 993 HG LEU 127 HG LEU 127 -3.976 -8.702 4.277 994 1HD1 LEU 127 1HD1 LEU 127 -4.751 -8.656 1.973 995 2HD1 LEU 127 2HD1 LEU 127 -3.164 -9.423 2.116 996 3HD1 LEU 127 3HD1 LEU 127 -4.608 -10.426 1.877 997 1HD2 LEU 127 1HD2 LEU 127 -6.359 -10.537 3.895 998 2HD2 LEU 127 2HD2 LEU 127 -6.005 -9.472 5.283 999 3HD2 LEU 127 3HD2 LEU 127 -6.374 -8.772 3.716 1000 H GLY 128 H GLY 128 -2.951 -12.491 7.395 1001 1HA GLY 128 1HA GLY 128 -1.655 -14.368 8.032 1002 2HA GLY 128 2HA GLY 128 -1.772 -15.021 6.404 1003 H MET 129 H MET 129 -0.897 -11.693 7.370 1004 HA MET 129 HA MET 129 1.648 -11.866 5.817 1005 1HB MET 129 2HB MET 129 0.159 -9.548 7.109 1006 2HB MET 129 3HB MET 129 1.772 -9.383 6.416 1007 1HG MET 129 2HG MET 129 -0.646 -10.328 4.850 1008 2HG MET 129 3HG MET 129 -0.076 -8.668 4.924 1009 1HE MET 129 1HE MET 129 1.365 -11.940 2.165 1010 2HE MET 129 2HE MET 129 0.782 -12.341 3.795 1011 3HE MET 129 3HE MET 129 -0.282 -11.485 2.654 Start of MODEL 13 1 1H MET 1 H MET 1 23.630 -14.956 2.987 2 2H MET 1 2HN MET 1 22.290 -15.256 3.866 3 3H MET 1 3HN MET 1 23.364 -16.480 3.560 4 HA MET 1 HA MET 1 21.734 -15.078 1.571 5 1HB MET 1 2HB MET 1 23.492 -17.530 1.207 6 2HB MET 1 3HB MET 1 22.477 -16.781 -0.021 7 1HG MET 1 2HG MET 1 23.851 -14.739 0.067 8 2HG MET 1 3HG MET 1 24.877 -15.468 1.308 9 1HE MET 1 1HE MET 1 26.461 -17.460 0.981 10 2HE MET 1 2HE MET 1 25.256 -18.550 0.253 11 3HE MET 1 3HE MET 1 26.809 -18.274 -0.550 12 H ALA 2 H ALA 2 19.911 -15.488 3.127 13 HA ALA 2 HA ALA 2 18.465 -17.636 2.013 14 1HB ALA 2 1HB ALA 2 18.835 -17.913 5.038 15 2HB ALA 2 2HB ALA 2 17.832 -18.912 3.978 16 3HB ALA 2 3HB ALA 2 19.600 -18.970 3.854 17 H ASP 3 H ASP 3 17.683 -15.254 1.537 18 HA ASP 3 HA ASP 3 15.766 -14.448 3.723 19 1HB ASP 3 1HB ASP 3 17.289 -12.739 1.771 20 2HB ASP 3 2HB ASP 3 15.751 -12.211 2.444 21 H LYS 4 H LYS 4 13.788 -13.635 3.074 22 HA LYS 4 HA LYS 4 12.513 -15.028 0.870 23 1HB LYS 4 1HB LYS 4 10.483 -13.829 1.705 24 2HB LYS 4 2HB LYS 4 11.321 -14.745 2.948 25 1HG LYS 4 1HG LYS 4 12.439 -12.564 3.686 26 2HG LYS 4 2HG LYS 4 11.402 -11.727 2.546 27 1HD LYS 4 1HD LYS 4 9.395 -12.598 3.786 28 2HD LYS 4 2HD LYS 4 10.510 -13.447 4.887 29 1HE LYS 4 1HE LYS 4 11.621 -11.196 5.317 30 2HE LYS 4 2HE LYS 4 10.260 -10.432 4.496 31 1HZ LYS 4 1HZ LYS 4 10.092 -10.558 6.916 32 2HZ LYS 4 2HZ LYS 4 8.803 -11.305 6.185 33 3HZ LYS 4 3HZ LYS 4 10.045 -12.180 6.871 34 H GLU 5 H GLU 5 14.214 -12.042 1.085 35 HA GLU 5 HA GLU 5 14.312 -10.155 -0.081 36 1HB GLU 5 1HB GLU 5 15.042 -12.007 -1.709 37 2HB GLU 5 2HB GLU 5 13.511 -11.726 -2.542 38 1HG GLU 5 1HG GLU 5 14.158 -9.296 -2.792 39 2HG GLU 5 2HG GLU 5 15.680 -9.632 -1.983 40 H LEU 6 H LEU 6 11.885 -10.589 1.209 41 HA LEU 6 HA LEU 6 9.625 -10.140 -0.570 42 1HB LEU 6 1HB LEU 6 9.266 -11.396 1.416 43 2HB LEU 6 2HB LEU 6 9.734 -10.055 2.453 44 HG LEU 6 HG LEU 6 7.616 -9.216 0.593 45 1HD1 LEU 6 1HD1 LEU 6 5.813 -10.617 1.645 46 2HD1 LEU 6 2HD1 LEU 6 6.900 -11.469 0.545 47 3HD1 LEU 6 3HD1 LEU 6 7.088 -11.644 2.316 48 1HD2 LEU 6 1HD2 LEU 6 7.666 -9.415 3.631 49 2HD2 LEU 6 2HD2 LEU 6 8.193 -8.011 2.681 50 3HD2 LEU 6 3HD2 LEU 6 6.497 -8.506 2.647 51 H LYS 7 H LYS 7 9.381 -8.342 -1.593 52 HA LYS 7 HA LYS 7 10.427 -5.809 -0.542 53 1HB LYS 7 1HB LYS 7 10.954 -6.880 -2.872 54 2HB LYS 7 2HB LYS 7 9.396 -6.207 -3.366 55 1HG LYS 7 1HG LYS 7 10.185 -3.946 -2.661 56 2HG LYS 7 2HG LYS 7 11.707 -4.641 -2.112 57 1HD LYS 7 1HD LYS 7 10.749 -4.442 -4.980 58 2HD LYS 7 2HD LYS 7 12.068 -3.559 -4.190 59 1HE LYS 7 1HE LYS 7 13.211 -5.784 -3.864 60 2HE LYS 7 2HE LYS 7 11.970 -6.503 -4.897 61 1HZ LYS 7 1HZ LYS 7 13.790 -4.308 -5.725 62 2HZ LYS 7 2HZ LYS 7 13.972 -5.881 -6.132 63 3HZ LYS 7 3HZ LYS 7 12.692 -5.026 -6.692 64 H PHE 8 H PHE 8 9.238 -4.135 -0.010 65 HA PHE 8 HA PHE 8 6.270 -4.218 -0.063 66 1HB PHE 8 1HB PHE 8 8.425 -2.640 1.392 67 2HB PHE 8 2HB PHE 8 6.848 -1.921 1.158 68 HD1 PHE 8 1HD PHE 8 8.283 -5.208 2.430 69 HD2 PHE 8 2HD PHE 8 5.332 -2.104 2.838 70 HE1 PHE 8 1HE PHE 8 7.363 -6.316 4.438 71 HE2 PHE 8 2HE PHE 8 4.343 -3.252 4.768 72 HZ PHE 8 HZ PHE 8 5.381 -5.370 5.612 73 H LEU 9 H LEU 9 5.474 -3.478 -2.088 74 HA LEU 9 HA LEU 9 6.945 -1.374 -3.523 75 1HB LEU 9 1HB LEU 9 5.443 -3.268 -4.603 76 2HB LEU 9 2HB LEU 9 4.098 -2.301 -4.030 77 HG LEU 9 HG LEU 9 5.218 -0.313 -5.276 78 1HD1 LEU 9 1HD1 LEU 9 6.630 -2.589 -6.738 79 2HD1 LEU 9 2HD1 LEU 9 6.745 -0.849 -7.063 80 3HD1 LEU 9 3HD1 LEU 9 7.412 -1.522 -5.580 81 1HD2 LEU 9 1HD2 LEU 9 4.240 -0.975 -7.415 82 2HD2 LEU 9 2HD2 LEU 9 4.153 -2.671 -6.879 83 3HD2 LEU 9 3HD2 LEU 9 3.180 -1.422 -6.068 84 H VAL 10 H VAL 10 6.485 0.844 -3.272 85 HA VAL 10 HA VAL 10 4.090 1.570 -1.648 86 HB VAL 10 HB VAL 10 6.766 2.955 -1.512 87 1HG1 VAL 10 1HG1 VAL 10 5.914 3.783 0.640 88 2HG1 VAL 10 2HG1 VAL 10 4.619 3.982 -0.544 89 3HG1 VAL 10 3HG1 VAL 10 4.555 2.643 0.596 90 1HG2 VAL 10 1HG2 VAL 10 5.960 0.595 0.248 91 2HG2 VAL 10 2HG2 VAL 10 7.401 0.732 -0.785 92 3HG2 VAL 10 3HG2 VAL 10 7.255 1.748 0.645 93 H VAL 11 H VAL 11 2.767 2.594 -3.153 94 HA VAL 11 HA VAL 11 4.070 4.277 -5.252 95 HB VAL 11 HB VAL 11 1.442 2.767 -5.508 96 1HG1 VAL 11 1HG1 VAL 11 1.591 4.527 -7.156 97 2HG1 VAL 11 2HG1 VAL 11 3.266 4.108 -7.548 98 3HG1 VAL 11 3HG1 VAL 11 1.945 3.007 -7.947 99 1HG2 VAL 11 1HG2 VAL 11 2.859 1.171 -6.900 100 2HG2 VAL 11 2HG2 VAL 11 4.288 1.936 -6.220 101 3HG2 VAL 11 3HG2 VAL 11 3.128 1.072 -5.176 102 H ASP 12 H ASP 12 4.031 5.675 -3.230 103 HA ASP 12 HA ASP 12 1.452 6.837 -2.543 104 1HB ASP 12 1HB ASP 12 4.240 7.484 -1.571 105 2HB ASP 12 2HB ASP 12 2.761 8.234 -0.983 106 H ASP 13 H ASP 13 0.640 8.241 -3.975 107 HA ASP 13 HA ASP 13 1.902 9.311 -6.178 108 1HB ASP 13 1HB ASP 13 -0.535 9.203 -5.959 109 2HB ASP 13 2HB ASP 13 -0.504 10.464 -4.723 110 H PHE 14 H PHE 14 1.410 10.972 -3.062 111 HA PHE 14 HA PHE 14 3.068 13.252 -3.900 112 1HB PHE 14 1HB PHE 14 1.414 13.622 -2.133 113 2HB PHE 14 2HB PHE 14 2.094 12.319 -1.175 114 HD1 PHE 14 1HD PHE 14 2.790 13.456 0.794 115 HD2 PHE 14 2HD PHE 14 3.957 15.036 -3.052 116 HE1 PHE 14 1HE PHE 14 4.279 15.098 1.906 117 HE2 PHE 14 2HE PHE 14 5.355 16.701 -1.945 118 HZ PHE 14 HZ PHE 14 5.521 16.756 0.546 119 H SER 15 H SER 15 5.076 12.458 -4.592 120 HA SER 15 HA SER 15 6.164 10.088 -3.953 121 1HB SER 15 1HB SER 15 8.218 12.197 -4.377 122 2HB SER 15 2HB SER 15 7.909 10.711 -5.285 123 HG SER 15 HG SER 15 6.262 11.759 -6.399 124 H THR 16 H THR 16 6.854 13.160 -2.191 125 HA THR 16 HA THR 16 8.819 12.159 -0.448 126 HB THR 16 HB THR 16 6.722 14.288 0.036 127 HG1 THR 16 1HG THR 16 9.246 14.447 -1.280 128 1HG2 THR 16 1HG2 THR 16 7.878 13.905 2.091 129 2HG2 THR 16 2HG2 THR 16 9.460 13.885 1.295 130 3HG2 THR 16 3HG2 THR 16 8.517 15.394 1.408 131 H MET 17 H MET 17 5.222 11.744 -0.312 132 HA MET 17 HA MET 17 5.223 10.927 2.435 133 1HB MET 17 1HB MET 17 3.201 11.125 0.365 134 2HB MET 17 2HB MET 17 3.146 9.514 1.090 135 1HG MET 17 1HG MET 17 3.242 10.602 3.348 136 2HG MET 17 2HG MET 17 3.096 12.166 2.553 137 1HE MET 17 1HE MET 17 0.753 12.525 0.802 138 2HE MET 17 2HE MET 17 0.745 10.822 0.257 139 3HE MET 17 3HE MET 17 -0.670 11.514 1.060 140 H ARG 18 H ARG 18 6.068 9.288 -0.651 141 HA ARG 18 HA ARG 18 6.058 6.659 0.478 142 1HB ARG 18 1HB ARG 18 6.414 7.415 -2.032 143 2HB ARG 18 2HB ARG 18 8.108 7.577 -1.539 144 1HG ARG 18 1HG ARG 18 7.899 5.157 -0.601 145 2HG ARG 18 2HG ARG 18 6.334 5.154 -1.445 146 1HD ARG 18 1HD ARG 18 7.954 4.105 -2.885 147 2HD ARG 18 2HD ARG 18 7.451 5.678 -3.522 148 HE ARG 18 HE ARG 18 9.481 6.550 -3.230 149 1HH1 ARG 18 2HH2 ARG 18 9.607 3.087 -2.385 150 2HH1 ARG 18 1HH2 ARG 18 11.347 3.049 -2.377 151 1HH2 ARG 18 2HH1 ARG 18 11.677 6.422 -3.373 152 2HH2 ARG 18 1HH1 ARG 18 12.541 4.952 -3.113 153 H ARG 19 H ARG 19 8.501 9.258 0.415 154 HA ARG 19 HA ARG 19 10.602 7.676 1.643 155 1HB ARG 19 1HB ARG 19 10.161 10.591 1.057 156 2HB ARG 19 2HB ARG 19 11.188 10.223 2.434 157 1HG ARG 19 1HG ARG 19 12.540 10.500 0.472 158 2HG ARG 19 2HG ARG 19 12.654 8.842 1.063 159 1HD ARG 19 1HD ARG 19 11.201 8.048 -0.753 160 2HD ARG 19 2HD ARG 19 10.955 9.707 -1.312 161 HE ARG 19 HE ARG 19 13.750 9.167 -1.094 162 1HH1 ARG 19 2HH2 ARG 19 11.088 8.680 -3.439 163 2HH1 ARG 19 1HH2 ARG 19 12.161 8.230 -4.715 164 1HH2 ARG 19 2HH1 ARG 19 15.129 8.704 -2.843 165 2HH2 ARG 19 1HH1 ARG 19 14.447 8.144 -4.328 166 H ILE 20 H ILE 20 7.982 9.723 2.958 167 HA ILE 20 HA ILE 20 8.651 9.372 5.693 168 HB ILE 20 HB ILE 20 6.180 10.194 4.214 169 1HG1 ILE 20 1HG1 ILE 20 6.336 12.104 5.827 170 2HG1 ILE 20 2HG1 ILE 20 7.783 11.376 6.516 171 1HG2 ILE 20 1HG2 ILE 20 4.875 10.364 6.298 172 2HG2 ILE 20 2HG2 ILE 20 5.181 8.704 5.853 173 3HG2 ILE 20 3HG2 ILE 20 6.139 9.434 7.157 174 1HD1 ILE 20 1HD1 ILE 20 7.423 12.400 3.682 175 2HD1 ILE 20 2HD1 ILE 20 8.331 13.202 4.967 176 3HD1 ILE 20 3HD1 ILE 20 8.934 11.678 4.298 177 H VAL 21 H VAL 21 6.144 7.544 3.791 178 HA VAL 21 HA VAL 21 5.590 5.605 5.684 179 HB VAL 21 HB VAL 21 5.459 5.527 2.647 180 1HG1 VAL 21 1HG1 VAL 21 5.394 3.197 3.399 181 2HG1 VAL 21 2HG1 VAL 21 4.174 3.597 4.636 182 3HG1 VAL 21 3HG1 VAL 21 3.792 3.728 2.903 183 1HG2 VAL 21 1HG2 VAL 21 3.053 5.983 3.045 184 2HG2 VAL 21 2HG2 VAL 21 3.310 5.974 4.796 185 3HG2 VAL 21 3HG2 VAL 21 4.011 7.253 3.771 186 H ARG 22 H ARG 22 8.118 5.448 3.158 187 HA ARG 22 HA ARG 22 9.149 2.878 3.750 188 1HB ARG 22 1HB ARG 22 9.727 4.212 1.755 189 2HB ARG 22 2HB ARG 22 10.488 5.433 2.795 190 1HG ARG 22 1HG ARG 22 12.052 3.440 3.515 191 2HG ARG 22 2HG ARG 22 11.426 2.682 2.063 192 1HD ARG 22 1HD ARG 22 12.629 4.080 0.671 193 2HD ARG 22 2HD ARG 22 12.298 5.504 1.651 194 HE ARG 22 HE ARG 22 14.040 5.034 3.125 195 1HH1 ARG 22 2HH2 ARG 22 14.296 3.156 0.093 196 2HH1 ARG 22 1HH2 ARG 22 15.650 2.243 0.630 197 1HH2 ARG 22 2HH1 ARG 22 15.827 3.732 3.876 198 2HH2 ARG 22 1HH1 ARG 22 16.641 2.707 2.732 199 H ASN 23 H ASN 23 10.004 6.092 5.200 200 HA ASN 23 HA ASN 23 11.991 5.061 6.992 201 1HB ASN 23 1HB ASN 23 11.721 7.467 6.355 202 2HB ASN 23 2HB ASN 23 10.241 7.539 7.300 203 1HD2 ASN 23 1HD2 ASN 23 13.604 8.077 7.465 204 2HD2 ASN 23 2HD2 ASN 23 13.770 7.968 9.218 205 H LEU 24 H LEU 24 8.490 5.603 7.327 206 HA LEU 24 HA LEU 24 8.232 4.886 10.079 207 1HB LEU 24 1HB LEU 24 6.194 4.728 7.817 208 2HB LEU 24 2HB LEU 24 5.819 4.538 9.521 209 HG LEU 24 HG LEU 24 6.923 7.084 8.259 210 1HD1 LEU 24 1HD1 LEU 24 4.139 6.343 9.202 211 2HD1 LEU 24 2HD1 LEU 24 4.670 7.986 8.740 212 3HD1 LEU 24 3HD1 LEU 24 4.658 6.684 7.547 213 1HD2 LEU 24 1HD2 LEU 24 6.349 8.091 10.480 214 2HD2 LEU 24 2HD2 LEU 24 6.206 6.439 11.113 215 3HD2 LEU 24 3HD2 LEU 24 7.729 6.987 10.470 216 H LEU 25 H LEU 25 8.027 2.937 7.106 217 HA LEU 25 HA LEU 25 7.461 0.416 8.356 218 1HB LEU 25 1HB LEU 25 8.733 1.318 5.757 219 2HB LEU 25 2HB LEU 25 8.937 -0.355 6.239 220 HG LEU 25 HG LEU 25 6.164 0.870 6.297 221 1HD1 LEU 25 1HD1 LEU 25 7.482 -0.294 3.813 222 2HD1 LEU 25 2HD1 LEU 25 5.768 0.155 3.995 223 3HD1 LEU 25 3HD1 LEU 25 7.011 1.407 4.066 224 1HD2 LEU 25 1HD2 LEU 25 6.585 -1.403 7.283 225 2HD2 LEU 25 2HD2 LEU 25 5.481 -1.447 5.898 226 3HD2 LEU 25 3HD2 LEU 25 7.170 -1.956 5.706 227 H LYS 26 H LYS 26 10.569 1.895 7.336 228 HA LYS 26 HA LYS 26 12.167 -0.156 8.298 229 1HB LYS 26 1HB LYS 26 12.551 2.548 7.266 230 2HB LYS 26 2HB LYS 26 13.656 2.281 8.591 231 1HG LYS 26 1HG LYS 26 13.361 0.234 6.363 232 2HG LYS 26 2HG LYS 26 14.393 1.656 6.187 233 1HD LYS 26 1HD LYS 26 15.662 1.031 8.230 234 2HD LYS 26 2HD LYS 26 14.657 -0.425 8.405 235 1HE LYS 26 1HE LYS 26 15.450 -1.297 6.286 236 2HE LYS 26 2HE LYS 26 16.333 0.205 5.940 237 1HZ LYS 26 1HZ LYS 26 16.978 -1.679 8.139 238 2HZ LYS 26 2HZ LYS 26 17.815 -1.511 6.752 239 3HZ LYS 26 3HZ LYS 26 17.766 -0.276 7.828 240 H GLU 27 H GLU 27 10.928 2.609 10.258 241 HA GLU 27 HA GLU 27 12.701 1.950 12.452 242 1HB GLU 27 1HB GLU 27 11.351 3.346 13.852 243 2HB GLU 27 2HB GLU 27 11.742 4.148 12.331 244 1HG GLU 27 1HG GLU 27 9.500 3.915 11.536 245 2HG GLU 27 2HG GLU 27 9.056 2.858 12.892 246 H LEU 28 H LEU 28 9.785 0.463 11.317 247 HA LEU 28 HA LEU 28 9.504 -1.186 13.745 248 1HB LEU 28 1HB LEU 28 8.161 -1.484 11.040 249 2HB LEU 28 2HB LEU 28 7.800 -2.378 12.508 250 HG LEU 28 HG LEU 28 7.492 0.647 12.267 251 1HD1 LEU 28 1HD1 LEU 28 5.418 -1.527 11.855 252 2HD1 LEU 28 2HD1 LEU 28 5.101 0.231 11.953 253 3HD1 LEU 28 3HD1 LEU 28 6.079 -0.424 10.631 254 1HD2 LEU 28 1HD2 LEU 28 7.681 -0.122 14.589 255 2HD2 LEU 28 2HD2 LEU 28 6.022 0.381 14.246 256 3HD2 LEU 28 3HD2 LEU 28 6.428 -1.350 14.310 257 H GLY 29 H GLY 29 10.037 -1.923 10.224 258 1HA GLY 29 1HA GLY 29 12.492 -3.315 10.633 259 2HA GLY 29 2HA GLY 29 11.124 -4.443 10.651 260 H PHE 30 H PHE 30 12.379 -5.173 8.750 261 HA PHE 30 HA PHE 30 12.586 -5.595 6.570 262 1HB PHE 30 1HB PHE 30 10.506 -3.533 5.844 263 2HB PHE 30 2HB PHE 30 11.002 -4.937 4.934 264 HD1 PHE 30 1HD PHE 30 8.579 -3.632 7.213 265 HD2 PHE 30 2HD PHE 30 10.496 -7.307 5.996 266 HE1 PHE 30 1HE PHE 30 6.665 -4.924 8.088 267 HE2 PHE 30 2HE PHE 30 8.579 -8.593 6.906 268 HZ PHE 30 HZ PHE 30 6.659 -7.415 7.937 269 H ASN 31 H ASN 31 13.366 -4.694 4.523 270 HA ASN 31 HA ASN 31 14.316 -1.912 4.484 271 1HB ASN 31 1HB ASN 31 16.603 -2.338 4.342 272 2HB ASN 31 2HB ASN 31 16.112 -3.383 5.669 273 1HD2 ASN 31 1HD2 ASN 31 15.855 -5.756 5.125 274 2HD2 ASN 31 2HD2 ASN 31 16.761 -6.406 3.759 275 H ASN 32 H ASN 32 12.903 -4.453 2.891 276 HA ASN 32 HA ASN 32 14.072 -3.899 0.216 277 1HB ASN 32 1HB ASN 32 12.241 -6.095 1.241 278 2HB ASN 32 2HB ASN 32 12.695 -5.881 -0.452 279 1HD2 ASN 32 1HD2 ASN 32 15.230 -5.712 -0.807 280 2HD2 ASN 32 2HD2 ASN 32 16.144 -6.874 0.144 281 H VAL 33 H VAL 33 13.103 -1.983 -0.387 282 HA VAL 33 HA VAL 33 10.147 -1.824 -0.268 283 HB VAL 33 HB VAL 33 10.513 0.680 -0.070 284 1HG1 VAL 33 1HG1 VAL 33 9.688 -0.659 1.817 285 2HG1 VAL 33 2HG1 VAL 33 11.348 -1.025 2.320 286 3HG1 VAL 33 3HG1 VAL 33 10.731 0.635 2.399 287 1HG2 VAL 33 1HG2 VAL 33 13.263 -0.030 1.045 288 2HG2 VAL 33 2HG2 VAL 33 13.017 0.555 -0.614 289 3HG2 VAL 33 3HG2 VAL 33 12.581 1.573 0.738 290 H GLU 34 H GLU 34 9.283 -0.611 -2.120 291 HA GLU 34 HA GLU 34 11.079 0.450 -4.027 292 1HB GLU 34 1HB GLU 34 10.256 -2.247 -4.515 293 2HB GLU 34 2HB GLU 34 9.453 -1.284 -5.710 294 1HG GLU 34 1HG GLU 34 12.416 -1.289 -5.217 295 2HG GLU 34 2HG GLU 34 11.541 -2.029 -6.561 296 H GLU 35 H GLU 35 9.014 0.501 -6.152 297 HA GLU 35 HA GLU 35 6.932 2.253 -5.227 298 1HB GLU 35 1HB GLU 35 9.191 3.379 -4.725 299 2HB GLU 35 2HB GLU 35 9.616 3.126 -6.403 300 1HG GLU 35 1HG GLU 35 7.767 4.681 -7.042 301 2HG GLU 35 2HG GLU 35 7.383 4.893 -5.348 302 H ALA 36 H ALA 36 6.049 3.289 -7.151 303 HA ALA 36 HA ALA 36 6.901 2.429 -9.782 304 1HB ALA 36 1HB ALA 36 4.008 2.167 -8.838 305 2HB ALA 36 2HB ALA 36 4.677 1.757 -10.413 306 3HB ALA 36 3HB ALA 36 5.113 0.781 -9.005 307 H GLU 37 H GLU 37 5.952 4.070 -11.395 308 HA GLU 37 HA GLU 37 5.938 6.666 -10.373 309 1HB GLU 37 1HB GLU 37 4.935 5.322 -12.918 310 2HB GLU 37 2HB GLU 37 5.129 7.063 -12.763 311 1HG GLU 37 1HG GLU 37 7.444 5.137 -12.139 312 2HG GLU 37 2HG GLU 37 7.061 5.585 -13.734 313 H ASP 38 H ASP 38 3.262 4.353 -10.747 314 HA ASP 38 HA ASP 38 1.294 5.917 -9.503 315 1HB ASP 38 1HB ASP 38 -0.027 6.655 -11.230 316 2HB ASP 38 2HB ASP 38 1.504 6.813 -12.072 317 H GLY 39 H GLY 39 -0.811 4.501 -9.708 318 1HA GLY 39 1HA GLY 39 -0.330 1.868 -9.044 319 2HA GLY 39 2HA GLY 39 -1.885 2.506 -9.554 320 H VAL 40 H VAL 40 -1.001 3.138 -12.408 321 HA VAL 40 HA VAL 40 -1.420 0.462 -13.448 322 HB VAL 40 HB VAL 40 -0.560 3.012 -14.888 323 1HG1 VAL 40 1HG1 VAL 40 -1.626 0.338 -15.897 324 2HG1 VAL 40 2HG1 VAL 40 -1.412 1.792 -16.891 325 3HG1 VAL 40 3HG1 VAL 40 -0.008 1.005 -16.190 326 1HG2 VAL 40 1HG2 VAL 40 -2.966 3.106 -15.576 327 2HG2 VAL 40 2HG2 VAL 40 -3.319 1.740 -14.495 328 3HG2 VAL 40 3HG2 VAL 40 -2.777 3.302 -13.834 329 H ASP 41 H ASP 41 1.452 2.643 -13.095 330 HA ASP 41 HA ASP 41 3.312 0.654 -14.027 331 1HB ASP 41 1HB ASP 41 3.817 3.098 -13.826 332 2HB ASP 41 2HB ASP 41 3.833 2.924 -12.088 333 H ALA 42 H ALA 42 1.683 1.085 -10.851 334 HA ALA 42 HA ALA 42 3.355 -0.700 -9.413 335 1HB ALA 42 1HB ALA 42 0.370 -0.430 -8.913 336 2HB ALA 42 2HB ALA 42 1.653 -0.756 -7.763 337 3HB ALA 42 3HB ALA 42 1.506 0.860 -8.500 338 H LEU 43 H LEU 43 0.356 -1.200 -11.272 339 HA LEU 43 HA LEU 43 0.109 -3.996 -10.954 340 1HB LEU 43 1HB LEU 43 -1.457 -2.171 -12.083 341 2HB LEU 43 2HB LEU 43 -0.527 -2.521 -13.534 342 HG LEU 43 HG LEU 43 -1.123 -5.042 -12.924 343 1HD1 LEU 43 1HD1 LEU 43 -2.184 -4.455 -10.752 344 2HD1 LEU 43 2HD1 LEU 43 -3.435 -3.554 -11.628 345 3HD1 LEU 43 3HD1 LEU 43 -3.283 -5.310 -11.847 346 1HD2 LEU 43 1HD2 LEU 43 -3.122 -3.073 -14.122 347 2HD2 LEU 43 2HD2 LEU 43 -1.841 -3.934 -14.991 348 3HD2 LEU 43 3HD2 LEU 43 -3.197 -4.839 -14.306 349 H ASN 44 H ASN 44 1.949 -2.049 -13.267 350 HA ASN 44 HA ASN 44 3.119 -4.150 -14.788 351 1HB ASN 44 1HB ASN 44 3.025 -1.529 -15.106 352 2HB ASN 44 2HB ASN 44 4.565 -1.546 -14.243 353 1HD2 ASN 44 1HD2 ASN 44 4.021 -0.765 -16.992 354 2HD2 ASN 44 2HD2 ASN 44 4.943 -1.855 -18.029 355 H LYS 45 H LYS 45 4.295 -2.475 -11.821 356 HA LYS 45 HA LYS 45 6.719 -4.017 -11.549 357 1HB LYS 45 1HB LYS 45 5.109 -2.213 -9.739 358 2HB LYS 45 2HB LYS 45 6.135 -3.409 -8.973 359 1HG LYS 45 1HG LYS 45 7.454 -1.510 -9.073 360 2HG LYS 45 2HG LYS 45 8.084 -2.572 -10.312 361 1HD LYS 45 1HD LYS 45 6.930 -1.196 -12.058 362 2HD LYS 45 2HD LYS 45 6.206 -0.230 -10.773 363 1HE LYS 45 1HE LYS 45 7.963 1.138 -11.238 364 2HE LYS 45 2HE LYS 45 8.668 0.152 -9.961 365 1HZ LYS 45 1HZ LYS 45 10.254 0.178 -11.568 366 2HZ LYS 45 2HZ LYS 45 9.515 -1.250 -11.970 367 3HZ LYS 45 3HZ LYS 45 9.195 0.141 -12.819 368 H LEU 46 H LEU 46 3.368 -4.568 -10.378 369 HA LEU 46 HA LEU 46 4.006 -6.794 -8.767 370 1HB LEU 46 1HB LEU 46 1.490 -5.833 -10.140 371 2HB LEU 46 2HB LEU 46 1.529 -7.512 -9.652 372 HG LEU 46 HG LEU 46 0.423 -6.190 -7.983 373 1HD1 LEU 46 1HD1 LEU 46 3.103 -7.164 -6.959 374 2HD1 LEU 46 2HD1 LEU 46 1.661 -6.906 -5.995 375 3HD1 LEU 46 3HD1 LEU 46 1.672 -8.159 -7.241 376 1HD2 LEU 46 1HD2 LEU 46 1.366 -4.011 -8.144 377 2HD2 LEU 46 2HD2 LEU 46 1.720 -4.600 -6.530 378 3HD2 LEU 46 3HD2 LEU 46 3.002 -4.598 -7.740 379 H GLN 47 H GLN 47 3.028 -6.655 -12.222 380 HA GLN 47 HA GLN 47 3.546 -9.446 -12.684 381 1HB GLN 47 1HB GLN 47 3.225 -7.084 -14.571 382 2HB GLN 47 2HB GLN 47 3.384 -8.768 -15.099 383 1HG GLN 47 1HG GLN 47 1.401 -9.375 -13.679 384 2HG GLN 47 2HG GLN 47 1.160 -7.652 -13.346 385 1HE2 GLN 47 1HE2 GLN 47 0.248 -10.148 -15.439 386 2HE2 GLN 47 2HE2 GLN 47 -0.267 -9.200 -16.813 387 H ALA 48 H ALA 48 5.877 -7.262 -11.822 388 HA ALA 48 HA ALA 48 7.894 -8.325 -13.710 389 1HB ALA 48 1HB ALA 48 8.271 -6.229 -11.551 390 2HB ALA 48 2HB ALA 48 9.383 -6.658 -12.858 391 3HB ALA 48 3HB ALA 48 7.840 -5.880 -13.245 392 H GLY 49 H GLY 49 6.516 -9.554 -10.872 393 1HA GLY 49 1HA GLY 49 8.541 -11.468 -10.664 394 2HA GLY 49 2HA GLY 49 8.963 -10.252 -9.469 395 H GLY 50 H GLY 50 7.308 -9.768 -7.761 396 1HA GLY 50 1HA GLY 50 5.290 -11.515 -6.849 397 2HA GLY 50 2HA GLY 50 6.836 -12.284 -6.511 398 H TYR 51 H TYR 51 4.899 -9.351 -5.961 399 HA TYR 51 HA TYR 51 6.817 -8.367 -3.906 400 1HB TYR 51 1HB TYR 51 4.409 -7.173 -5.269 401 2HB TYR 51 2HB TYR 51 5.031 -6.499 -3.784 402 HD1 TYR 51 1HD TYR 51 6.095 -7.351 -7.303 403 HD2 TYR 51 2HD TYR 51 6.882 -5.092 -3.712 404 HE1 TYR 51 1HE TYR 51 7.886 -6.112 -8.475 405 HE2 TYR 51 2HE TYR 51 8.592 -3.782 -4.902 406 HH TYR 51 HH TYR 51 9.444 -4.461 -8.326 407 H GLY 52 H GLY 52 6.174 -7.914 -1.772 408 1HA GLY 52 1HA GLY 52 4.168 -9.839 -0.728 409 2HA GLY 52 2HA GLY 52 5.464 -9.048 0.160 410 H PHE 53 H PHE 53 4.581 -6.368 -1.159 411 HA PHE 53 HA PHE 53 2.022 -5.861 0.152 412 1HB PHE 53 1HB PHE 53 4.640 -4.995 1.256 413 2HB PHE 53 2HB PHE 53 3.528 -3.666 0.976 414 HD1 PHE 53 1HD PHE 53 4.068 -6.799 2.855 415 HD2 PHE 53 2HD PHE 53 1.477 -3.414 2.254 416 HE1 PHE 53 1HE PHE 53 2.825 -7.387 4.923 417 HE2 PHE 53 2HE PHE 53 0.293 -3.941 4.340 418 HZ PHE 53 HZ PHE 53 0.939 -5.975 5.675 419 H VAL 54 H VAL 54 0.972 -4.044 -0.688 420 HA VAL 54 HA VAL 54 2.273 -2.638 -2.944 421 HB VAL 54 HB VAL 54 -0.480 -3.940 -3.052 422 1HG1 VAL 54 1HG1 VAL 54 -0.214 -2.021 -4.600 423 2HG1 VAL 54 2HG1 VAL 54 1.280 -2.741 -5.242 424 3HG1 VAL 54 3HG1 VAL 54 -0.279 -3.544 -5.488 425 1HG2 VAL 54 1HG2 VAL 54 2.170 -4.954 -4.159 426 2HG2 VAL 54 2HG2 VAL 54 1.080 -5.775 -3.023 427 3HG2 VAL 54 3HG2 VAL 54 0.583 -5.516 -4.685 428 H ILE 55 H ILE 55 2.496 -1.060 -1.164 429 HA ILE 55 HA ILE 55 0.018 0.079 -0.015 430 HB ILE 55 HB ILE 55 3.026 0.553 0.273 431 1HG1 ILE 55 1HG1 ILE 55 1.117 0.209 2.597 432 2HG1 ILE 55 2HG1 ILE 55 1.327 -1.206 1.564 433 1HG2 ILE 55 1HG2 ILE 55 2.090 2.799 0.371 434 2HG2 ILE 55 2HG2 ILE 55 0.721 2.239 1.341 435 3HG2 ILE 55 3HG2 ILE 55 2.349 2.272 2.040 436 1HD1 ILE 55 1HD1 ILE 55 3.754 -1.115 1.852 437 2HD1 ILE 55 2HD1 ILE 55 3.583 0.251 2.982 438 3HD1 ILE 55 3HD1 ILE 55 2.904 -1.340 3.392 439 H SER 56 H SER 56 -0.797 2.189 -0.734 440 HA SER 56 HA SER 56 0.579 3.561 -2.885 441 1HB SER 56 1HB SER 56 -1.753 3.337 -4.219 442 2HB SER 56 2HB SER 56 -0.408 2.222 -4.458 443 HG SER 56 HG SER 56 -1.390 0.843 -2.898 444 H ASP 57 H ASP 57 -0.341 5.625 -3.311 445 HA ASP 57 HA ASP 57 -2.084 6.713 -1.182 446 1HB ASP 57 1HB ASP 57 -0.250 8.071 -2.234 447 2HB ASP 57 2HB ASP 57 -1.179 8.068 -3.740 448 H TRP 58 H TRP 58 -4.140 7.536 -1.675 449 HA TRP 58 HA TRP 58 -5.863 5.946 -3.426 450 1HB TRP 58 1HB TRP 58 -6.699 6.872 -1.291 451 2HB TRP 58 2HB TRP 58 -6.286 8.508 -1.798 452 HD1 TRP 58 HD TRP 58 -7.812 9.614 -3.768 453 HE1 TRP 58 1HE TRP 58 -10.043 9.035 -4.761 454 HE3 TRP 58 3HE TRP 58 -8.492 5.132 -1.443 455 HZ2 TRP 58 2HZ TRP 58 -11.961 6.740 -4.618 456 HZ3 TRP 58 3HZ TRP 58 -10.637 3.908 -1.705 457 HH2 TRP 58 HH TRP 58 -12.333 4.720 -3.348 458 H ASN 59 H ASN 59 -4.677 9.290 -3.219 459 HA ASN 59 HA ASN 59 -6.233 10.069 -5.528 460 1HB ASN 59 1HB ASN 59 -5.479 12.362 -5.024 461 2HB ASN 59 2HB ASN 59 -6.204 11.545 -3.655 462 1HD2 ASN 59 1HD2 ASN 59 -2.773 11.594 -4.955 463 2HD2 ASN 59 2HD2 ASN 59 -2.150 11.558 -3.320 464 H MET 60 H MET 60 -4.014 8.271 -6.186 465 HA MET 60 HA MET 60 -2.068 9.787 -7.722 466 1HB MET 60 1HB MET 60 -1.807 7.538 -8.903 467 2HB MET 60 2HB MET 60 -1.373 7.599 -7.207 468 1HG MET 60 1HG MET 60 -3.272 6.437 -6.499 469 2HG MET 60 2HG MET 60 -4.137 6.739 -7.998 470 1HE MET 60 1HE MET 60 -3.822 5.635 -10.140 471 2HE MET 60 2HE MET 60 -2.094 5.943 -10.339 472 3HE MET 60 3HE MET 60 -2.745 4.309 -10.549 473 HA PRO 61 HA PRO 61 -4.606 10.574 -11.390 474 1HB PRO 61 1HB PRO 61 -2.716 10.487 -13.381 475 2HB PRO 61 2HB PRO 61 -2.763 11.783 -12.156 476 1HG PRO 61 1HG PRO 61 -1.081 9.244 -12.114 477 2HG PRO 61 2HG PRO 61 -0.525 10.936 -11.912 478 1HD PRO 61 1HD PRO 61 -1.024 9.362 -9.800 479 2HD PRO 61 2HD PRO 61 -1.481 11.088 -9.767 480 H ASN 62 H ASN 62 -4.570 9.448 -13.858 481 HA ASN 62 HA ASN 62 -5.036 7.667 -15.144 482 1HB ASN 62 1HB ASN 62 -3.004 6.200 -13.420 483 2HB ASN 62 2HB ASN 62 -3.537 5.716 -15.025 484 1HD2 ASN 62 1HD2 ASN 62 -2.890 7.090 -16.923 485 2HD2 ASN 62 2HD2 ASN 62 -1.491 8.133 -16.723 486 H MET 63 H MET 63 -4.921 4.771 -14.005 487 HA MET 63 HA MET 63 -7.647 4.614 -12.914 488 1HB MET 63 1HB MET 63 -5.557 2.653 -13.813 489 2HB MET 63 2HB MET 63 -6.419 2.196 -12.355 490 1HG MET 63 1HG MET 63 -7.787 1.232 -13.791 491 2HG MET 63 2HG MET 63 -8.578 2.788 -13.645 492 1HE MET 63 1HE MET 63 -6.439 0.946 -17.293 493 2HE MET 63 2HE MET 63 -5.536 1.225 -15.789 494 3HE MET 63 3HE MET 63 -6.949 0.147 -15.797 495 H ASP 64 H ASP 64 -7.607 5.847 -11.079 496 HA ASP 64 HA ASP 64 -5.613 6.248 -9.276 497 1HB ASP 64 1HB ASP 64 -7.256 7.152 -7.781 498 2HB ASP 64 2HB ASP 64 -7.669 7.561 -9.436 499 H GLY 65 H GLY 65 -5.907 5.742 -6.703 500 1HA GLY 65 1HA GLY 65 -4.793 3.208 -6.480 501 2HA GLY 65 2HA GLY 65 -5.417 4.167 -5.137 502 H LEU 66 H LEU 66 -8.234 4.046 -6.316 503 HA LEU 66 HA LEU 66 -9.058 1.581 -5.001 504 1HB LEU 66 1HB LEU 66 -10.246 3.971 -5.237 505 2HB LEU 66 2HB LEU 66 -10.837 3.312 -6.754 506 HG LEU 66 HG LEU 66 -12.401 3.179 -4.923 507 1HD1 LEU 66 1HD1 LEU 66 -11.671 0.356 -5.678 508 2HD1 LEU 66 2HD1 LEU 66 -13.253 1.022 -5.187 509 3HD1 LEU 66 3HD1 LEU 66 -12.519 1.506 -6.744 510 1HD2 LEU 66 1HD2 LEU 66 -11.960 2.440 -2.914 511 2HD2 LEU 66 2HD2 LEU 66 -11.244 0.920 -3.487 512 3HD2 LEU 66 3HD2 LEU 66 -10.258 2.387 -3.344 513 H GLU 67 H GLU 67 -8.725 2.825 -8.302 514 HA GLU 67 HA GLU 67 -9.968 0.525 -9.570 515 1HB GLU 67 1HB GLU 67 -8.235 2.784 -10.652 516 2HB GLU 67 2HB GLU 67 -8.973 1.528 -11.644 517 1HG GLU 67 1HG GLU 67 -10.550 3.455 -9.872 518 2HG GLU 67 2HG GLU 67 -10.265 3.667 -11.600 519 H LEU 68 H LEU 68 -6.577 1.558 -8.923 520 HA LEU 68 HA LEU 68 -5.242 -0.714 -9.924 521 1HB LEU 68 1HB LEU 68 -3.956 1.122 -8.940 522 2HB LEU 68 2HB LEU 68 -4.647 0.803 -7.354 523 HG LEU 68 HG LEU 68 -3.543 -1.463 -7.316 524 1HD1 LEU 68 1HD1 LEU 68 -1.645 -1.776 -9.058 525 2HD1 LEU 68 2HD1 LEU 68 -3.296 -2.106 -9.589 526 3HD1 LEU 68 3HD1 LEU 68 -2.540 -0.592 -10.034 527 1HD2 LEU 68 1HD2 LEU 68 -1.274 -0.649 -6.948 528 2HD2 LEU 68 2HD2 LEU 68 -1.706 0.893 -7.726 529 3HD2 LEU 68 3HD2 LEU 68 -2.496 0.407 -6.226 530 H LEU 69 H LEU 69 -6.620 -0.290 -6.624 531 HA LEU 69 HA LEU 69 -6.146 -2.877 -5.623 532 1HB LEU 69 1HB LEU 69 -6.911 -1.450 -4.022 533 2HB LEU 69 2HB LEU 69 -8.095 -0.691 -5.071 534 HG LEU 69 HG LEU 69 -9.701 -2.385 -4.771 535 1HD1 LEU 69 1HD1 LEU 69 -8.046 -4.416 -4.330 536 2HD1 LEU 69 2HD1 LEU 69 -8.163 -3.883 -2.649 537 3HD1 LEU 69 3HD1 LEU 69 -9.612 -4.341 -3.533 538 1HD2 LEU 69 1HD2 LEU 69 -9.980 -2.111 -2.253 539 2HD2 LEU 69 2HD2 LEU 69 -8.330 -1.457 -2.231 540 3HD2 LEU 69 3HD2 LEU 69 -9.597 -0.604 -3.111 541 H LYS 70 H LYS 70 -9.108 -1.713 -7.346 542 HA LYS 70 HA LYS 70 -10.342 -4.286 -7.326 543 1HB LYS 70 1HB LYS 70 -10.734 -1.893 -9.158 544 2HB LYS 70 2HB LYS 70 -11.732 -3.358 -9.206 545 1HG LYS 70 1HG LYS 70 -12.395 -3.057 -6.868 546 2HG LYS 70 2HG LYS 70 -11.370 -1.635 -6.711 547 1HD LYS 70 1HD LYS 70 -12.684 -0.366 -8.267 548 2HD LYS 70 2HD LYS 70 -13.564 -1.795 -8.819 549 1HE LYS 70 1HE LYS 70 -14.734 -2.032 -6.716 550 2HE LYS 70 2HE LYS 70 -13.767 -0.738 -5.998 551 1HZ LYS 70 1HZ LYS 70 -14.744 0.674 -7.893 552 2HZ LYS 70 2HZ LYS 70 -15.911 -0.494 -7.983 553 3HZ LYS 70 3HZ LYS 70 -15.662 0.385 -6.608 554 H THR 71 H THR 71 -8.200 -2.796 -9.775 555 HA THR 71 HA THR 71 -8.367 -4.851 -11.719 556 HB THR 71 HB THR 71 -6.042 -3.004 -11.011 557 HG1 THR 71 1HG THR 71 -7.679 -1.724 -11.442 558 1HG2 THR 71 1HG2 THR 71 -5.390 -4.824 -12.586 559 2HG2 THR 71 2HG2 THR 71 -6.700 -4.323 -13.671 560 3HG2 THR 71 3HG2 THR 71 -5.358 -3.217 -13.323 561 H ILE 72 H ILE 72 -6.053 -4.434 -8.966 562 HA ILE 72 HA ILE 72 -4.706 -6.908 -9.343 563 HB ILE 72 HB ILE 72 -5.070 -4.967 -7.020 564 1HG1 ILE 72 1HG1 ILE 72 -2.756 -5.921 -8.778 565 2HG1 ILE 72 2HG1 ILE 72 -3.582 -4.368 -8.861 566 1HG2 ILE 72 1HG2 ILE 72 -4.958 -7.215 -5.945 567 2HG2 ILE 72 2HG2 ILE 72 -3.520 -7.558 -6.911 568 3HG2 ILE 72 3HG2 ILE 72 -3.491 -6.300 -5.660 569 1HD1 ILE 72 1HD1 ILE 72 -2.645 -3.802 -6.602 570 2HD1 ILE 72 2HD1 ILE 72 -1.706 -5.318 -6.663 571 3HD1 ILE 72 3HD1 ILE 72 -1.421 -4.060 -7.860 572 H ARG 73 H ARG 73 -7.591 -6.071 -7.451 573 HA ARG 73 HA ARG 73 -7.900 -8.492 -6.109 574 1HB ARG 73 1HB ARG 73 -9.014 -6.250 -5.620 575 2HB ARG 73 2HB ARG 73 -10.125 -6.590 -6.944 576 1HG ARG 73 1HG ARG 73 -11.227 -7.118 -4.921 577 2HG ARG 73 2HG ARG 73 -10.870 -8.661 -5.690 578 1HD ARG 73 1HD ARG 73 -8.774 -8.749 -4.192 579 2HD ARG 73 2HD ARG 73 -9.441 -7.338 -3.349 580 HE ARG 73 HE ARG 73 -11.076 -9.800 -3.672 581 1HH1 ARG 73 2HH2 ARG 73 -8.969 -7.964 -1.420 582 2HH1 ARG 73 1HH2 ARG 73 -9.662 -8.726 -0.026 583 1HH2 ARG 73 2HH1 ARG 73 -12.090 -10.588 -1.744 584 2HH2 ARG 73 1HH1 ARG 73 -11.467 -10.148 -0.200 585 H ALA 74 H ALA 74 -8.787 -7.682 -9.397 586 HA ALA 74 HA ALA 74 -10.913 -9.491 -9.743 587 1HB ALA 74 1HB ALA 74 -10.751 -8.913 -12.088 588 2HB ALA 74 2HB ALA 74 -10.448 -7.460 -11.133 589 3HB ALA 74 3HB ALA 74 -9.095 -8.324 -11.875 590 H ASP 75 H ASP 75 -8.089 -10.641 -8.926 591 HA ASP 75 HA ASP 75 -8.251 -12.916 -8.514 592 1HB ASP 75 1HB ASP 75 -8.390 -13.405 -11.499 593 2HB ASP 75 2HB ASP 75 -8.036 -14.624 -10.286 594 H GLY 76 H GLY 76 -6.330 -13.467 -11.371 595 1HA GLY 76 1HA GLY 76 -4.083 -13.423 -11.774 596 2HA GLY 76 2HA GLY 76 -3.996 -12.048 -10.690 597 H ALA 77 H ALA 77 -5.228 -14.664 -8.917 598 HA ALA 77 HA ALA 77 -4.486 -15.522 -6.999 599 1HB ALA 77 1HB ALA 77 -3.123 -16.989 -8.470 600 2HB ALA 77 2HB ALA 77 -1.752 -15.892 -8.209 601 3HB ALA 77 3HB ALA 77 -2.461 -16.751 -6.839 602 H MET 78 H MET 78 -4.333 -12.688 -7.700 603 HA MET 78 HA MET 78 -2.366 -11.586 -5.769 604 1HB MET 78 1HB MET 78 -3.827 -10.460 -8.199 605 2HB MET 78 2HB MET 78 -2.828 -9.497 -7.123 606 1HG MET 78 1HG MET 78 -1.619 -11.938 -8.386 607 2HG MET 78 2HG MET 78 -1.795 -10.462 -9.329 608 1HE MET 78 1HE MET 78 0.803 -12.017 -8.733 609 2HE MET 78 2HE MET 78 0.889 -10.494 -9.651 610 3HE MET 78 3HE MET 78 1.970 -10.767 -8.265 611 H SER 79 H SER 79 -5.624 -12.326 -6.238 612 HA SER 79 HA SER 79 -7.084 -10.193 -5.338 613 1HB SER 79 1HB SER 79 -8.675 -12.080 -4.532 614 2HB SER 79 2HB SER 79 -8.234 -11.987 -6.245 615 HG SER 79 HG SER 79 -7.910 -14.013 -4.593 616 H ALA 80 H ALA 80 -5.294 -12.535 -3.317 617 HA ALA 80 HA ALA 80 -6.370 -11.633 -0.826 618 1HB ALA 80 1HB ALA 80 -5.205 -13.823 -1.301 619 2HB ALA 80 2HB ALA 80 -3.669 -12.927 -1.331 620 3HB ALA 80 3HB ALA 80 -4.628 -12.981 0.160 621 H LEU 81 H LEU 81 -4.068 -10.044 -2.903 622 HA LEU 81 HA LEU 81 -1.977 -9.464 -1.296 623 1HB LEU 81 1HB LEU 81 -3.241 -8.000 -3.598 624 2HB LEU 81 2HB LEU 81 -2.102 -7.086 -2.658 625 HG LEU 81 HG LEU 81 -1.392 -9.727 -3.980 626 1HD1 LEU 81 1HD1 LEU 81 -0.071 -8.131 -5.452 627 2HD1 LEU 81 2HD1 LEU 81 -1.808 -8.125 -5.665 628 3HD1 LEU 81 3HD1 LEU 81 -1.061 -6.813 -4.762 629 1HD2 LEU 81 1HD2 LEU 81 0.235 -7.698 -2.392 630 2HD2 LEU 81 2HD2 LEU 81 0.079 -9.444 -2.115 631 3HD2 LEU 81 3HD2 LEU 81 0.971 -8.865 -3.511 632 HA PRO 82 HA PRO 82 -3.374 -6.176 1.453 633 1HB PRO 82 1HB PRO 82 -1.045 -5.458 2.621 634 2HB PRO 82 2HB PRO 82 -1.922 -6.959 3.042 635 1HG PRO 82 1HG PRO 82 0.395 -6.640 1.137 636 2HG PRO 82 2HG PRO 82 0.205 -7.858 2.425 637 1HD PRO 82 1HD PRO 82 -0.401 -8.332 -0.210 638 2HD PRO 82 2HD PRO 82 -1.317 -9.109 1.112 639 H VAL 83 H VAL 83 -3.868 -5.271 -0.742 640 HA VAL 83 HA VAL 83 -2.214 -3.009 -1.588 641 HB VAL 83 HB VAL 83 -4.457 -2.248 -2.608 642 1HG1 VAL 83 1HG1 VAL 83 -4.181 -3.683 -4.579 643 2HG1 VAL 83 2HG1 VAL 83 -2.634 -3.101 -3.969 644 3HG1 VAL 83 3HG1 VAL 83 -3.139 -4.784 -3.651 645 1HG2 VAL 83 1HG2 VAL 83 -6.003 -3.756 -1.416 646 2HG2 VAL 83 2HG2 VAL 83 -6.033 -4.010 -3.167 647 3HG2 VAL 83 3HG2 VAL 83 -5.206 -5.176 -2.140 648 H LEU 84 H LEU 84 -1.997 -1.257 -0.282 649 HA LEU 84 HA LEU 84 -3.939 -0.912 1.976 650 1HB LEU 84 1HB LEU 84 -1.901 -2.025 2.742 651 2HB LEU 84 2HB LEU 84 -0.910 -0.791 1.972 652 HG LEU 84 HG LEU 84 -1.527 0.886 3.536 653 1HD1 LEU 84 1HD1 LEU 84 -3.654 -1.029 4.566 654 2HD1 LEU 84 2HD1 LEU 84 -3.113 0.427 5.444 655 3HD1 LEU 84 3HD1 LEU 84 -3.875 0.603 3.873 656 1HD2 LEU 84 1HD2 LEU 84 -1.210 -1.700 5.118 657 2HD2 LEU 84 2HD2 LEU 84 0.115 -0.846 4.311 658 3HD2 LEU 84 3HD2 LEU 84 -0.758 -0.059 5.628 659 H MET 85 H MET 85 -4.955 0.993 1.748 660 HA MET 85 HA MET 85 -3.853 3.051 -0.024 661 1HB MET 85 1HB MET 85 -6.321 3.040 1.755 662 2HB MET 85 2HB MET 85 -5.957 4.253 0.538 663 1HG MET 85 1HG MET 85 -6.299 1.315 -0.209 664 2HG MET 85 2HG MET 85 -7.673 2.351 0.069 665 1HE MET 85 1HE MET 85 -4.807 2.675 -3.552 666 2HE MET 85 2HE MET 85 -4.259 3.474 -2.079 667 3HE MET 85 3HE MET 85 -4.517 1.710 -2.101 668 H VAL 86 H VAL 86 -2.514 4.677 0.701 669 HA VAL 86 HA VAL 86 -2.659 5.518 3.545 670 HB VAL 86 HB VAL 86 -0.106 5.086 1.919 671 1HG1 VAL 86 1HG1 VAL 86 1.002 5.627 4.117 672 2HG1 VAL 86 2HG1 VAL 86 0.151 6.987 3.389 673 3HG1 VAL 86 3HG1 VAL 86 -0.579 6.116 4.759 674 1HG2 VAL 86 1HG2 VAL 86 -1.108 3.554 4.358 675 2HG2 VAL 86 2HG2 VAL 86 -0.969 2.938 2.699 676 3HG2 VAL 86 3HG2 VAL 86 0.486 3.386 3.590 677 H THR 87 H THR 87 -3.703 7.483 3.267 678 HA THR 87 HA THR 87 -2.604 9.301 1.191 679 HB THR 87 HB THR 87 -4.381 7.906 0.207 680 HG1 THR 87 1HG THR 87 -4.274 9.800 -0.679 681 1HG2 THR 87 1HG2 THR 87 -6.206 9.075 2.346 682 2HG2 THR 87 2HG2 THR 87 -6.740 8.209 0.897 683 3HG2 THR 87 3HG2 THR 87 -5.775 7.370 2.121 684 H ALA 88 H ALA 88 -3.614 11.487 1.368 685 HA ALA 88 HA ALA 88 -4.114 12.292 4.174 686 1HB ALA 88 1HB ALA 88 -4.102 14.565 3.269 687 2HB ALA 88 2HB ALA 88 -2.663 13.702 2.681 688 3HB ALA 88 3HB ALA 88 -4.057 13.935 1.610 689 H GLU 89 H GLU 89 -5.943 11.250 1.394 690 HA GLU 89 HA GLU 89 -8.156 13.021 1.910 691 1HB GLU 89 1HB GLU 89 -7.976 10.612 0.086 692 2HB GLU 89 2HB GLU 89 -9.291 11.807 0.200 693 1HG GLU 89 1HG GLU 89 -7.322 13.539 -0.200 694 2HG GLU 89 2HG GLU 89 -6.513 12.141 -0.913 695 H ALA 90 H ALA 90 -9.211 12.781 3.808 696 HA ALA 90 HA ALA 90 -9.847 10.170 4.931 697 1HB ALA 90 1HB ALA 90 -10.706 11.400 6.766 698 2HB ALA 90 2HB ALA 90 -9.293 12.328 6.200 699 3HB ALA 90 3HB ALA 90 -10.927 12.869 5.792 700 H LYS 91 H LYS 91 -11.175 11.038 2.241 701 HA LYS 91 HA LYS 91 -13.886 11.811 2.710 702 1HB LYS 91 1HB LYS 91 -12.768 12.106 0.541 703 2HB LYS 91 2HB LYS 91 -12.610 10.366 0.364 704 1HG LYS 91 1HG LYS 91 -14.439 11.008 -0.996 705 2HG LYS 91 2HG LYS 91 -15.153 10.202 0.402 706 1HD LYS 91 1HD LYS 91 -15.627 12.479 1.392 707 2HD LYS 91 2HD LYS 91 -14.942 13.204 -0.083 708 1HE LYS 91 1HE LYS 91 -16.667 11.780 -1.369 709 2HE LYS 91 2HE LYS 91 -17.450 11.486 0.192 710 1HZ LYS 91 1HZ LYS 91 -17.600 13.959 0.388 711 2HZ LYS 91 2HZ LYS 91 -17.007 14.083 -1.147 712 3HZ LYS 91 3HZ LYS 91 -18.439 13.373 -0.925 713 H LYS 92 H LYS 92 -15.283 10.618 3.948 714 HA LYS 92 HA LYS 92 -14.894 7.939 4.649 715 1HB LYS 92 1HB LYS 92 -17.210 9.820 4.865 716 2HB LYS 92 2HB LYS 92 -17.633 8.120 4.823 717 1HG LYS 92 1HG LYS 92 -17.448 8.655 7.081 718 2HG LYS 92 2HG LYS 92 -16.042 7.660 6.703 719 1HD LYS 92 1HD LYS 92 -14.581 9.640 6.741 720 2HD LYS 92 2HD LYS 92 -15.993 10.700 6.805 721 1HE LYS 92 1HE LYS 92 -15.340 10.705 9.023 722 2HE LYS 92 2HE LYS 92 -16.634 9.510 8.998 723 1HZ LYS 92 1HZ LYS 92 -14.878 8.621 10.253 724 2HZ LYS 92 2HZ LYS 92 -14.734 7.797 8.859 725 3HZ LYS 92 3HZ LYS 92 -13.725 9.046 9.229 726 H GLU 93 H GLU 93 -17.115 9.123 2.033 727 HA GLU 93 HA GLU 93 -17.958 6.710 1.142 728 1HB GLU 93 1HB GLU 93 -18.434 9.073 0.207 729 2HB GLU 93 2HB GLU 93 -16.984 8.919 -0.756 730 1HG GLU 93 1HG GLU 93 -17.891 7.073 -2.020 731 2HG GLU 93 2HG GLU 93 -19.217 6.853 -0.867 732 H ASN 94 H ASN 94 -14.666 7.959 0.637 733 HA ASN 94 HA ASN 94 -14.055 5.876 -1.350 734 1HB ASN 94 1HB ASN 94 -12.468 8.170 -0.171 735 2HB ASN 94 2HB ASN 94 -11.763 6.969 -1.222 736 1HD2 ASN 94 1HD2 ASN 94 -11.859 9.687 -1.969 737 2HD2 ASN 94 2HD2 ASN 94 -13.056 9.943 -3.237 738 H ILE 95 H ILE 95 -13.532 6.552 2.098 739 HA ILE 95 HA ILE 95 -11.988 4.174 2.638 740 HB ILE 95 HB ILE 95 -13.869 5.866 4.322 741 1HG1 ILE 95 1HG1 ILE 95 -11.702 5.822 5.797 742 2HG1 ILE 95 2HG1 ILE 95 -10.892 5.306 4.331 743 1HG2 ILE 95 1HG2 ILE 95 -14.294 3.529 5.006 744 2HG2 ILE 95 2HG2 ILE 95 -12.548 3.296 5.244 745 3HG2 ILE 95 3HG2 ILE 95 -13.486 4.467 6.230 746 1HD1 ILE 95 1HD1 ILE 95 -11.521 7.452 3.249 747 2HD1 ILE 95 2HD1 ILE 95 -12.468 7.905 4.692 748 3HD1 ILE 95 3HD1 ILE 95 -10.715 7.751 4.791 749 H ILE 96 H ILE 96 -15.543 4.742 2.237 750 HA ILE 96 HA ILE 96 -16.289 2.010 2.642 751 HB ILE 96 HB ILE 96 -17.708 4.324 1.290 752 1HG1 ILE 96 1HG1 ILE 96 -19.489 3.566 3.023 753 2HG1 ILE 96 2HG1 ILE 96 -18.211 2.595 3.754 754 1HG2 ILE 96 1HG2 ILE 96 -18.328 2.400 -0.113 755 2HG2 ILE 96 2HG2 ILE 96 -18.739 1.467 1.352 756 3HG2 ILE 96 3HG2 ILE 96 -19.668 2.903 0.888 757 1HD1 ILE 96 1HD1 ILE 96 -18.107 5.597 3.252 758 2HD1 ILE 96 2HD1 ILE 96 -18.587 4.849 4.777 759 3HD1 ILE 96 3HD1 ILE 96 -16.927 4.641 4.196 760 H ALA 97 H ALA 97 -15.690 3.804 -0.469 761 HA ALA 97 HA ALA 97 -16.020 1.662 -2.189 762 1HB ALA 97 1HB ALA 97 -15.611 3.946 -3.004 763 2HB ALA 97 2HB ALA 97 -13.961 3.889 -2.351 764 3HB ALA 97 3HB ALA 97 -14.411 2.841 -3.704 765 H ALA 98 H ALA 98 -13.058 2.507 -0.368 766 HA ALA 98 HA ALA 98 -11.414 0.390 -1.355 767 1HB ALA 98 1HB ALA 98 -11.412 1.988 1.229 768 2HB ALA 98 2HB ALA 98 -10.156 0.818 0.817 769 3HB ALA 98 3HB ALA 98 -10.404 2.231 -0.216 770 H ALA 99 H ALA 99 -13.488 0.579 1.579 771 HA ALA 99 HA ALA 99 -12.894 -2.039 2.513 772 1HB ALA 99 1HB ALA 99 -15.356 -0.254 2.910 773 2HB ALA 99 2HB ALA 99 -14.979 -1.696 3.859 774 3HB ALA 99 3HB ALA 99 -13.903 -0.291 3.922 775 H GLN 100 H GLN 100 -15.519 -0.864 0.409 776 HA GLN 100 HA GLN 100 -16.907 -3.284 -0.071 777 1HB GLN 100 1HB GLN 100 -16.494 -0.761 -1.746 778 2HB GLN 100 2HB GLN 100 -17.553 -2.066 -2.241 779 1HG GLN 100 1HG GLN 100 -17.859 -0.415 0.295 780 2HG GLN 100 2HG GLN 100 -18.805 -0.233 -1.182 781 1HE2 GLN 100 1HE2 GLN 100 -19.495 -1.080 1.768 782 2HE2 GLN 100 2HE2 GLN 100 -20.304 -2.609 1.550 783 H ALA 101 H ALA 101 -14.247 -1.733 -1.977 784 HA ALA 101 HA ALA 101 -13.995 -3.867 -3.837 785 1HB ALA 101 1HB ALA 101 -11.836 -2.761 -4.357 786 2HB ALA 101 2HB ALA 101 -13.169 -1.595 -4.246 787 3HB ALA 101 3HB ALA 101 -12.026 -1.737 -2.912 788 H GLY 102 H GLY 102 -12.929 -3.656 -0.524 789 1HA GLY 102 1HA GLY 102 -12.175 -5.504 0.715 790 2HA GLY 102 2HA GLY 102 -11.628 -6.305 -0.758 791 H ALA 103 H ALA 103 -10.817 -2.906 0.006 792 HA ALA 103 HA ALA 103 -8.013 -3.355 -0.382 793 1HB ALA 103 1HB ALA 103 -9.369 -1.035 -0.345 794 2HB ALA 103 2HB ALA 103 -8.897 -1.056 1.352 795 3HB ALA 103 3HB ALA 103 -7.654 -1.124 0.091 796 H SER 104 H SER 104 -6.365 -3.656 1.110 797 HA SER 104 HA SER 104 -7.189 -5.195 3.364 798 1HB SER 104 1HB SER 104 -4.911 -5.707 3.603 799 2HB SER 104 2HB SER 104 -5.239 -5.565 1.888 800 HG SER 104 HG SER 104 -4.313 -3.486 1.918 801 H GLY 105 H GLY 105 -6.673 -1.773 3.027 802 1HA GLY 105 1HA GLY 105 -7.637 -1.159 5.538 803 2HA GLY 105 2HA GLY 105 -5.865 -1.183 5.702 804 H TYR 106 H TYR 106 -6.995 1.131 6.170 805 HA TYR 106 HA TYR 106 -6.264 2.868 3.908 806 1HB TYR 106 1HB TYR 106 -8.872 2.255 4.333 807 2HB TYR 106 2HB TYR 106 -8.730 3.521 5.519 808 HD1 TYR 106 1HD TYR 106 -7.605 5.816 4.566 809 HD2 TYR 106 2HD TYR 106 -9.456 2.752 2.191 810 HE1 TYR 106 1HE TYR 106 -8.223 7.508 2.857 811 HE2 TYR 106 2HE TYR 106 -10.036 4.425 0.463 812 HH TYR 106 HH TYR 106 -9.779 6.629 -0.238 813 H VAL 107 H VAL 107 -4.519 3.856 4.875 814 HA VAL 107 HA VAL 107 -4.683 4.851 7.682 815 HB VAL 107 HB VAL 107 -2.469 4.838 5.591 816 1HG1 VAL 107 1HG1 VAL 107 -2.451 6.030 8.391 817 2HG1 VAL 107 2HG1 VAL 107 -1.013 5.795 7.362 818 3HG1 VAL 107 3HG1 VAL 107 -2.279 6.909 6.856 819 1HG2 VAL 107 1HG2 VAL 107 -2.677 3.470 8.303 820 2HG2 VAL 107 2HG2 VAL 107 -2.757 2.671 6.706 821 3HG2 VAL 107 3HG2 VAL 107 -1.259 3.443 7.234 822 H VAL 108 H VAL 108 -4.816 7.135 7.991 823 HA VAL 108 HA VAL 108 -5.189 8.803 5.603 824 HB VAL 108 HB VAL 108 -7.005 8.819 8.044 825 1HG1 VAL 108 1HG1 VAL 108 -6.575 11.115 7.195 826 2HG1 VAL 108 2HG1 VAL 108 -7.078 10.602 5.566 827 3HG1 VAL 108 3HG1 VAL 108 -8.220 10.578 6.935 828 1HG2 VAL 108 1HG2 VAL 108 -7.528 8.128 5.124 829 2HG2 VAL 108 2HG2 VAL 108 -7.665 7.029 6.516 830 3HG2 VAL 108 3HG2 VAL 108 -8.803 8.375 6.318 831 H LYS 109 H LYS 109 -4.165 10.731 5.866 832 HA LYS 109 HA LYS 109 -2.091 11.114 7.721 833 1HB LYS 109 1HB LYS 109 -2.378 12.106 5.461 834 2HB LYS 109 2HB LYS 109 -3.637 13.179 6.113 835 1HG LYS 109 1HG LYS 109 -1.942 14.302 7.522 836 2HG LYS 109 2HG LYS 109 -0.707 13.164 6.913 837 1HD LYS 109 1HD LYS 109 -1.197 13.943 4.586 838 2HD LYS 109 2HD LYS 109 -2.350 15.114 5.235 839 1HE LYS 109 1HE LYS 109 -0.228 16.155 4.679 840 2HE LYS 109 2HE LYS 109 -0.549 16.295 6.409 841 1HZ LYS 109 1HZ LYS 109 1.028 14.005 5.548 842 2HZ LYS 109 2HZ LYS 109 1.743 15.481 5.429 843 3HZ LYS 109 3HZ LYS 109 1.172 14.943 6.893 844 HA PRO 110 HA PRO 110 -0.848 12.546 8.980 845 1HB PRO 110 1HB PRO 110 -0.146 12.925 11.563 846 2HB PRO 110 2HB PRO 110 -0.666 14.285 10.525 847 1HG PRO 110 1HG PRO 110 -2.332 12.727 12.520 848 2HG PRO 110 2HG PRO 110 -2.194 14.509 12.344 849 1HD PRO 110 1HD PRO 110 -4.223 13.036 11.219 850 2HD PRO 110 2HD PRO 110 -3.581 14.511 10.445 851 H PHE 111 H PHE 111 0.698 10.926 10.181 852 HA PHE 111 HA PHE 111 -0.423 8.527 11.288 853 1HB PHE 111 1HB PHE 111 -0.192 7.133 9.333 854 2HB PHE 111 2HB PHE 111 -1.459 8.302 9.101 855 HD1 PHE 111 1HD PHE 111 -1.570 9.247 6.949 856 HD2 PHE 111 2HD PHE 111 2.176 7.620 8.303 857 HE1 PHE 111 1HE PHE 111 -0.620 9.553 4.693 858 HE2 PHE 111 2HE PHE 111 3.114 7.937 6.060 859 HZ PHE 111 HZ PHE 111 1.738 8.862 4.237 860 H THR 112 H THR 112 1.196 7.002 11.636 861 HA THR 112 HA THR 112 3.993 7.644 11.116 862 HB THR 112 HB THR 112 4.415 7.561 13.604 863 HG1 THR 112 1HG THR 112 1.577 7.968 13.678 864 1HG2 THR 112 1HG2 THR 112 2.834 9.973 12.815 865 2HG2 THR 112 2HG2 THR 112 4.178 9.846 13.978 866 3HG2 THR 112 3HG2 THR 112 4.490 9.640 12.253 867 H ALA 113 H ALA 113 5.189 5.861 12.847 868 HA ALA 113 HA ALA 113 4.567 3.361 11.611 869 1HB ALA 113 1HB ALA 113 6.839 3.983 12.293 870 2HB ALA 113 2HB ALA 113 6.340 3.963 14.002 871 3HB ALA 113 3HB ALA 113 6.308 2.477 13.050 872 H ALA 114 H ALA 114 3.613 5.008 14.607 873 HA ALA 114 HA ALA 114 2.467 2.920 16.049 874 1HB ALA 114 1HB ALA 114 1.045 4.634 17.061 875 2HB ALA 114 2HB ALA 114 2.668 5.299 16.795 876 3HB ALA 114 3HB ALA 114 1.338 5.735 15.703 877 H THR 115 H THR 115 1.174 4.403 13.073 878 HA THR 115 HA THR 115 -1.286 2.761 13.399 879 HB THR 115 HB THR 115 -1.343 5.305 13.006 880 HG1 THR 115 1HG THR 115 -3.182 4.210 13.006 881 1HG2 THR 115 1HG2 THR 115 0.090 5.385 10.975 882 2HG2 THR 115 2HG2 THR 115 -1.113 4.411 10.106 883 3HG2 THR 115 3HG2 THR 115 -1.536 6.020 10.718 884 H LEU 116 H LEU 116 1.628 3.184 11.419 885 HA LEU 116 HA LEU 116 1.030 1.431 9.288 886 1HB LEU 116 1HB LEU 116 3.090 2.967 9.748 887 2HB LEU 116 2HB LEU 116 3.718 1.617 10.679 888 HG LEU 116 HG LEU 116 4.780 1.614 8.595 889 1HD1 LEU 116 1HD1 LEU 116 4.342 -0.556 7.711 890 2HD1 LEU 116 2HD1 LEU 116 4.046 -0.632 9.451 891 3HD1 LEU 116 3HD1 LEU 116 2.685 -0.544 8.307 892 1HD2 LEU 116 1HD2 LEU 116 2.087 1.589 7.171 893 2HD2 LEU 116 2HD2 LEU 116 3.207 2.969 7.279 894 3HD2 LEU 116 3HD2 LEU 116 3.691 1.506 6.418 895 H GLU 117 H GLU 117 2.554 0.696 12.489 896 HA GLU 117 HA GLU 117 2.680 -2.098 12.133 897 1HB GLU 117 1HB GLU 117 3.228 -2.205 14.481 898 2HB GLU 117 2HB GLU 117 4.043 -0.866 13.719 899 1HG GLU 117 1HG GLU 117 3.414 0.328 15.496 900 2HG GLU 117 2HG GLU 117 1.833 0.428 14.717 901 H GLU 118 H GLU 118 0.060 -0.057 13.236 902 HA GLU 118 HA GLU 118 -1.563 -2.092 14.470 903 1HB GLU 118 1HB GLU 118 -2.026 0.108 15.101 904 2HB GLU 118 2HB GLU 118 -2.008 0.722 13.452 905 1HG GLU 118 1HG GLU 118 -4.121 -0.278 12.928 906 2HG GLU 118 2HG GLU 118 -4.116 -1.201 14.442 907 H LYS 119 H LYS 119 -1.665 -0.493 11.228 908 HA LYS 119 HA LYS 119 -3.792 -2.211 10.301 909 1HB LYS 119 1HB LYS 119 -1.764 -0.681 8.681 910 2HB LYS 119 2HB LYS 119 -3.272 -1.374 8.070 911 1HG LYS 119 1HG LYS 119 -3.089 0.858 10.143 912 2HG LYS 119 2HG LYS 119 -3.223 1.103 8.409 913 1HD LYS 119 1HD LYS 119 -5.423 -0.005 8.387 914 2HD LYS 119 2HD LYS 119 -5.301 -0.268 10.148 915 1HE LYS 119 1HE LYS 119 -5.056 2.173 10.506 916 2HE LYS 119 2HE LYS 119 -5.156 2.459 8.762 917 1HZ LYS 119 1HZ LYS 119 -7.236 2.847 9.924 918 2HZ LYS 119 2HZ LYS 119 -7.433 1.660 8.811 919 3HZ LYS 119 3HZ LYS 119 -7.300 1.289 10.413 920 H LEU 120 H LEU 120 -0.239 -2.496 10.289 921 HA LEU 120 HA LEU 120 -0.021 -4.841 8.691 922 1HB LEU 120 1HB LEU 120 1.650 -3.834 11.009 923 2HB LEU 120 2HB LEU 120 1.969 -5.371 10.241 924 HG LEU 120 HG LEU 120 2.154 -2.656 8.932 925 1HD1 LEU 120 1HD1 LEU 120 4.544 -3.132 8.816 926 2HD1 LEU 120 2HD1 LEU 120 3.988 -3.235 10.490 927 3HD1 LEU 120 3HD1 LEU 120 4.288 -4.716 9.563 928 1HD2 LEU 120 1HD2 LEU 120 3.144 -3.875 6.983 929 2HD2 LEU 120 2HD2 LEU 120 2.604 -5.401 7.712 930 3HD2 LEU 120 3HD2 LEU 120 1.421 -4.172 7.200 931 H ASN 121 H ASN 121 -0.319 -4.645 12.336 932 HA ASN 121 HA ASN 121 -0.566 -7.473 12.548 933 1HB ASN 121 1HB ASN 121 -0.062 -6.081 14.498 934 2HB ASN 121 2HB ASN 121 -1.707 -5.403 14.457 935 1HD2 ASN 121 1HD2 ASN 121 -3.047 -6.456 15.986 936 2HD2 ASN 121 2HD2 ASN 121 -2.961 -8.183 16.312 937 H LYS 122 H LYS 122 -3.025 -5.056 11.808 938 HA LYS 122 HA LYS 122 -5.332 -6.762 11.965 939 1HB LYS 122 1HB LYS 122 -4.632 -4.175 10.815 940 2HB LYS 122 2HB LYS 122 -5.654 -5.068 9.700 941 1HG LYS 122 1HG LYS 122 -7.462 -5.126 11.139 942 2HG LYS 122 2HG LYS 122 -6.481 -4.935 12.602 943 1HD LYS 122 1HD LYS 122 -6.562 -2.716 10.540 944 2HD LYS 122 2HD LYS 122 -7.878 -2.873 11.702 945 1HE LYS 122 1HE LYS 122 -4.979 -2.873 12.610 946 2HE LYS 122 2HE LYS 122 -5.798 -1.360 12.241 947 1HZ LYS 122 1HZ LYS 122 -7.475 -1.870 13.888 948 2HZ LYS 122 2HZ LYS 122 -6.814 -3.342 14.216 949 3HZ LYS 122 3HZ LYS 122 -6.024 -1.986 14.627 950 H ILE 123 H ILE 123 -3.223 -6.122 9.067 951 HA ILE 123 HA ILE 123 -4.693 -8.212 7.674 952 HB ILE 123 HB ILE 123 -3.214 -7.644 5.761 953 1HG1 ILE 123 1HG1 ILE 123 -1.761 -6.021 7.807 954 2HG1 ILE 123 2HG1 ILE 123 -1.151 -6.952 6.468 955 1HG2 ILE 123 1HG2 ILE 123 -4.693 -5.414 7.215 956 2HG2 ILE 123 2HG2 ILE 123 -4.296 -5.424 5.505 957 3HG2 ILE 123 3HG2 ILE 123 -5.389 -6.650 6.142 958 1HD1 ILE 123 1HD1 ILE 123 -1.879 -5.136 4.922 959 2HD1 ILE 123 2HD1 ILE 123 -2.519 -4.221 6.314 960 3HD1 ILE 123 3HD1 ILE 123 -0.799 -4.533 6.207 961 H PHE 124 H PHE 124 -1.683 -8.187 9.472 962 HA PHE 124 HA PHE 124 -0.720 -10.756 8.684 963 1HB PHE 124 1HB PHE 124 -0.763 -9.385 11.376 964 2HB PHE 124 2HB PHE 124 0.110 -10.858 11.006 965 HD1 PHE 124 1HD PHE 124 1.522 -8.679 12.271 966 HD2 PHE 124 2HD PHE 124 0.886 -9.385 8.072 967 HE1 PHE 124 1HE PHE 124 3.569 -7.437 11.748 968 HE2 PHE 124 2HE PHE 124 2.907 -8.090 7.538 969 HZ PHE 124 HZ PHE 124 4.284 -7.115 9.378 970 H GLU 125 H GLU 125 -3.010 -9.841 11.379 971 HA GLU 125 HA GLU 125 -3.539 -12.616 11.832 972 1HB GLU 125 1HB GLU 125 -4.972 -10.089 12.751 973 2HB GLU 125 2HB GLU 125 -5.278 -11.678 13.433 974 1HG GLU 125 1HG GLU 125 -2.454 -10.552 13.500 975 2HG GLU 125 2HG GLU 125 -3.666 -9.985 14.635 976 H LYS 126 H LYS 126 -5.226 -10.190 9.849 977 HA LYS 126 HA LYS 126 -7.638 -11.817 9.761 978 1HB LYS 126 1HB LYS 126 -7.548 -9.281 9.852 979 2HB LYS 126 2HB LYS 126 -7.093 -9.284 8.148 980 1HG LYS 126 1HG LYS 126 -9.601 -10.586 9.316 981 2HG LYS 126 2HG LYS 126 -9.561 -8.938 8.711 982 1HD LYS 126 1HD LYS 126 -8.534 -10.903 6.763 983 2HD LYS 126 2HD LYS 126 -10.174 -11.232 7.251 984 1HE LYS 126 1HE LYS 126 -9.309 -8.439 6.411 985 2HE LYS 126 2HE LYS 126 -9.649 -9.660 5.184 986 1HZ LYS 126 1HZ LYS 126 -11.630 -8.990 7.257 987 2HZ LYS 126 2HZ LYS 126 -11.531 -8.181 5.821 988 3HZ LYS 126 3HZ LYS 126 -11.860 -9.789 5.833 989 H LEU 127 H LEU 127 -5.451 -10.514 7.159 990 HA LEU 127 HA LEU 127 -6.374 -12.400 5.232 991 1HB LEU 127 1HB LEU 127 -3.666 -11.073 5.135 992 2HB LEU 127 2HB LEU 127 -4.687 -11.571 3.808 993 HG LEU 127 HG LEU 127 -5.035 -9.126 5.602 994 1HD1 LEU 127 1HD1 LEU 127 -3.376 -8.923 3.795 995 2HD1 LEU 127 2HD1 LEU 127 -4.571 -9.468 2.618 996 3HD1 LEU 127 3HD1 LEU 127 -4.799 -7.925 3.455 997 1HD2 LEU 127 1HD2 LEU 127 -6.933 -10.228 3.510 998 2HD2 LEU 127 2HD2 LEU 127 -7.244 -10.016 5.239 999 3HD2 LEU 127 3HD2 LEU 127 -7.014 -8.592 4.229 1000 H GLY 128 H GLY 128 -3.867 -12.545 7.732 1001 1HA GLY 128 1HA GLY 128 -2.703 -14.476 8.393 1002 2HA GLY 128 2HA GLY 128 -3.037 -15.239 6.840 1003 H MET 129 H MET 129 -1.905 -11.816 7.089 1004 HA MET 129 HA MET 129 0.162 -12.512 5.129 1005 1HB MET 129 2HB MET 129 -0.551 -9.945 6.551 1006 2HB MET 129 3HB MET 129 0.978 -10.097 5.684 1007 1HG MET 129 2HG MET 129 -1.773 -10.487 4.485 1008 2HG MET 129 3HG MET 129 -0.775 -9.053 4.336 1009 1HE MET 129 1HE MET 129 -2.176 -11.570 2.292 1010 2HE MET 129 2HE MET 129 -0.898 -12.570 1.569 1011 3HE MET 129 3HE MET 129 -1.328 -12.782 3.281 Start of MODEL 14 1 1H MET 1 H MET 1 19.331 -11.863 3.636 2 2H MET 1 2HN MET 1 20.598 -10.795 3.501 3 3H MET 1 3HN MET 1 19.564 -11.054 2.237 4 HA MET 1 HA MET 1 21.666 -12.126 1.912 5 1HB MET 1 2HB MET 1 22.135 -12.477 4.277 6 2HB MET 1 3HB MET 1 20.879 -13.682 4.394 7 1HG MET 1 2HG MET 1 22.133 -15.263 3.203 8 2HG MET 1 3HG MET 1 23.025 -14.034 2.309 9 1HE MET 1 1HE MET 1 24.525 -12.159 4.009 10 2HE MET 1 2HE MET 1 26.010 -13.084 4.334 11 3HE MET 1 3HE MET 1 25.237 -13.179 2.740 12 H ALA 2 H ALA 2 20.194 -15.152 2.779 13 HA ALA 2 HA ALA 2 19.314 -15.436 -0.026 14 1HB ALA 2 1HB ALA 2 20.948 -17.062 0.904 15 2HB ALA 2 2HB ALA 2 19.783 -17.513 2.161 16 3HB ALA 2 3HB ALA 2 19.419 -17.817 0.446 17 H ASP 3 H ASP 3 17.509 -14.012 0.463 18 HA ASP 3 HA ASP 3 15.591 -15.025 2.502 19 1HB ASP 3 1HB ASP 3 16.435 -12.251 1.638 20 2HB ASP 3 2HB ASP 3 14.900 -12.505 2.466 21 H LYS 4 H LYS 4 13.397 -14.650 2.291 22 HA LYS 4 HA LYS 4 12.077 -15.082 -0.168 23 1HB LYS 4 1HB LYS 4 10.070 -14.436 0.942 24 2HB LYS 4 2HB LYS 4 11.080 -15.407 2.016 25 1HG LYS 4 1HG LYS 4 11.894 -13.196 3.042 26 2HG LYS 4 2HG LYS 4 10.590 -12.406 2.155 27 1HD LYS 4 1HD LYS 4 10.349 -14.632 4.197 28 2HD LYS 4 2HD LYS 4 9.983 -12.935 4.492 29 1HE LYS 4 1HE LYS 4 7.979 -13.007 3.310 30 2HE LYS 4 2HE LYS 4 8.477 -14.391 2.314 31 1HZ LYS 4 1HZ LYS 4 8.193 -15.838 4.118 32 2HZ LYS 4 2HZ LYS 4 7.961 -14.605 5.207 33 3HZ LYS 4 3HZ LYS 4 6.827 -14.890 4.074 34 H GLU 5 H GLU 5 13.436 -12.193 1.136 35 HA GLU 5 HA GLU 5 13.346 -10.004 0.663 36 1HB GLU 5 1HB GLU 5 14.994 -11.041 -0.936 37 2HB GLU 5 2HB GLU 5 13.762 -10.913 -2.201 38 1HG GLU 5 1HG GLU 5 13.647 -8.431 -1.758 39 2HG GLU 5 2HG GLU 5 14.852 -8.629 -0.486 40 H LEU 6 H LEU 6 11.039 -10.503 1.297 41 HA LEU 6 HA LEU 6 8.945 -10.490 -0.653 42 1HB LEU 6 1HB LEU 6 8.673 -11.406 1.611 43 2HB LEU 6 2HB LEU 6 8.901 -9.803 2.316 44 HG LEU 6 HG LEU 6 6.872 -9.606 0.245 45 1HD1 LEU 6 1HD1 LEU 6 6.589 -12.001 0.446 46 2HD1 LEU 6 2HD1 LEU 6 6.340 -11.850 2.207 47 3HD1 LEU 6 3HD1 LEU 6 5.173 -11.154 1.071 48 1HD2 LEU 6 1HD2 LEU 6 7.033 -8.112 2.146 49 2HD2 LEU 6 2HD2 LEU 6 5.449 -8.905 2.119 50 3HD2 LEU 6 3HD2 LEU 6 6.695 -9.445 3.272 51 H LYS 7 H LYS 7 8.739 -8.852 -1.989 52 HA LYS 7 HA LYS 7 10.046 -6.382 -1.291 53 1HB LYS 7 1HB LYS 7 9.918 -7.609 -3.635 54 2HB LYS 7 2HB LYS 7 8.439 -6.680 -3.843 55 1HG LYS 7 1HG LYS 7 10.022 -5.224 -4.747 56 2HG LYS 7 2HG LYS 7 9.916 -4.628 -3.096 57 1HD LYS 7 1HD LYS 7 12.210 -4.763 -3.292 58 2HD LYS 7 2HD LYS 7 11.901 -6.399 -2.692 59 1HE LYS 7 1HE LYS 7 11.974 -7.296 -4.985 60 2HE LYS 7 2HE LYS 7 12.129 -5.657 -5.631 61 1HZ LYS 7 1HZ LYS 7 14.228 -5.475 -4.375 62 2HZ LYS 7 2HZ LYS 7 14.167 -7.105 -4.034 63 3HZ LYS 7 3HZ LYS 7 14.280 -6.543 -5.569 64 H PHE 8 H PHE 8 9.165 -4.424 -0.691 65 HA PHE 8 HA PHE 8 6.215 -4.325 -0.228 66 1HB PHE 8 1HB PHE 8 8.644 -3.131 1.077 67 2HB PHE 8 2HB PHE 8 7.224 -2.105 0.967 68 HD1 PHE 8 1HD PHE 8 5.524 -2.198 2.502 69 HD2 PHE 8 2HD PHE 8 8.374 -5.426 2.281 70 HE1 PHE 8 1HE PHE 8 4.658 -3.084 4.636 71 HE2 PHE 8 2HE PHE 8 7.521 -6.298 4.435 72 HZ PHE 8 HZ PHE 8 5.722 -5.107 5.657 73 H LEU 9 H LEU 9 5.378 -3.651 -2.324 74 HA LEU 9 HA LEU 9 6.734 -1.392 -3.618 75 1HB LEU 9 1HB LEU 9 5.200 -3.130 -4.892 76 2HB LEU 9 2HB LEU 9 3.883 -2.231 -4.174 77 HG LEU 9 HG LEU 9 4.940 -0.114 -5.143 78 1HD1 LEU 9 1HD1 LEU 9 6.560 -2.101 -6.795 79 2HD1 LEU 9 2HD1 LEU 9 6.466 -0.351 -7.052 80 3HD1 LEU 9 3HD1 LEU 9 7.236 -0.976 -5.604 81 1HD2 LEU 9 1HD2 LEU 9 4.028 -0.470 -7.336 82 2HD2 LEU 9 2HD2 LEU 9 4.093 -2.234 -7.152 83 3HD2 LEU 9 3HD2 LEU 9 2.989 -1.263 -6.147 84 H VAL 10 H VAL 10 6.374 0.687 -3.084 85 HA VAL 10 HA VAL 10 3.909 1.384 -1.552 86 HB VAL 10 HB VAL 10 6.746 2.302 -1.043 87 1HG1 VAL 10 1HG1 VAL 10 4.924 4.024 -0.630 88 2HG1 VAL 10 2HG1 VAL 10 4.270 2.996 0.607 89 3HG1 VAL 10 3HG1 VAL 10 5.917 3.659 0.771 90 1HG2 VAL 10 1HG2 VAL 10 4.992 0.555 0.711 91 2HG2 VAL 10 2HG2 VAL 10 6.506 0.090 -0.089 92 3HG2 VAL 10 3HG2 VAL 10 6.533 1.285 1.208 93 H VAL 11 H VAL 11 2.777 2.743 -2.854 94 HA VAL 11 HA VAL 11 4.203 4.567 -4.735 95 HB VAL 11 HB VAL 11 1.570 3.245 -5.492 96 1HG1 VAL 11 1HG1 VAL 11 2.336 3.771 -7.732 97 2HG1 VAL 11 2HG1 VAL 11 2.361 5.236 -6.745 98 3HG1 VAL 11 3HG1 VAL 11 3.866 4.405 -7.099 99 1HG2 VAL 11 1HG2 VAL 11 2.985 1.327 -5.093 100 2HG2 VAL 11 2HG2 VAL 11 2.882 1.618 -6.816 101 3HG2 VAL 11 3HG2 VAL 11 4.349 2.101 -5.956 102 H ASP 12 H ASP 12 3.734 5.858 -2.442 103 HA ASP 12 HA ASP 12 1.089 6.943 -2.214 104 1HB ASP 12 1HB ASP 12 3.659 8.334 -1.427 105 2HB ASP 12 2HB ASP 12 2.028 8.665 -0.871 106 H ASP 13 H ASP 13 0.519 9.245 -2.847 107 HA ASP 13 HA ASP 13 1.328 9.849 -5.586 108 1HB ASP 13 1HB ASP 13 -0.962 10.261 -5.016 109 2HB ASP 13 2HB ASP 13 -0.514 11.180 -3.571 110 H PHE 14 H PHE 14 1.329 11.765 -2.595 111 HA PHE 14 HA PHE 14 3.231 13.712 -3.484 112 1HB PHE 14 1HB PHE 14 1.564 14.092 -1.700 113 2HB PHE 14 2HB PHE 14 2.258 12.820 -0.737 114 HD1 PHE 14 1HD PHE 14 4.517 15.266 -2.476 115 HD2 PHE 14 2HD PHE 14 2.359 14.351 1.153 116 HE1 PHE 14 1HE PHE 14 5.819 16.957 -1.275 117 HE2 PHE 14 2HE PHE 14 3.674 16.088 2.355 118 HZ PHE 14 HZ PHE 14 5.389 17.406 1.141 119 H SER 15 H SER 15 5.380 13.043 -3.997 120 HA SER 15 HA SER 15 6.468 10.649 -3.243 121 1HB SER 15 1HB SER 15 7.933 13.252 -3.821 122 2HB SER 15 2HB SER 15 8.706 11.653 -3.784 123 HG SER 15 HG SER 15 7.367 10.967 -5.433 124 H THR 16 H THR 16 6.836 13.701 -1.292 125 HA THR 16 HA THR 16 8.564 12.586 0.615 126 HB THR 16 HB THR 16 6.457 14.717 0.981 127 HG1 THR 16 1HG THR 16 8.127 16.085 0.318 128 1HG2 THR 16 1HG2 THR 16 8.138 15.634 2.634 129 2HG2 THR 16 2HG2 THR 16 7.337 14.149 3.141 130 3HG2 THR 16 3HG2 THR 16 9.001 14.080 2.525 131 H MET 17 H MET 17 5.058 12.069 0.257 132 HA MET 17 HA MET 17 4.546 10.920 2.850 133 1HB MET 17 1HB MET 17 2.908 11.787 1.062 134 2HB MET 17 2HB MET 17 3.232 10.286 0.201 135 1HG MET 17 1HG MET 17 1.442 9.603 1.176 136 2HG MET 17 2HG MET 17 2.497 9.232 2.540 137 1HE MET 17 1HE MET 17 -1.328 10.710 3.185 138 2HE MET 17 2HE MET 17 -0.709 10.090 1.648 139 3HE MET 17 3HE MET 17 -0.414 9.185 3.146 140 H ARG 18 H ARG 18 5.795 9.685 -0.306 141 HA ARG 18 HA ARG 18 5.800 6.854 0.469 142 1HB ARG 18 1HB ARG 18 5.599 7.324 -1.832 143 2HB ARG 18 2HB ARG 18 6.843 8.541 -1.839 144 1HG ARG 18 1HG ARG 18 7.580 6.609 -3.012 145 2HG ARG 18 2HG ARG 18 8.577 6.837 -1.560 146 1HD ARG 18 1HD ARG 18 7.166 5.111 -0.398 147 2HD ARG 18 2HD ARG 18 6.209 4.994 -1.882 148 HE ARG 18 HE ARG 18 7.596 3.500 -2.643 149 1HH1 ARG 18 2HH2 ARG 18 9.540 5.504 -0.503 150 2HH1 ARG 18 1HH2 ARG 18 11.023 4.654 -0.737 151 1HH2 ARG 18 2HH1 ARG 18 9.405 2.100 -2.673 152 2HH2 ARG 18 1HH1 ARG 18 10.965 2.703 -2.181 153 H ARG 19 H ARG 19 8.107 9.586 0.629 154 HA ARG 19 HA ARG 19 10.319 7.977 1.607 155 1HB ARG 19 1HB ARG 19 9.706 10.939 1.968 156 2HB ARG 19 2HB ARG 19 11.018 10.121 2.794 157 1HG ARG 19 1HG ARG 19 11.985 11.134 0.929 158 2HG ARG 19 2HG ARG 19 11.973 9.396 0.626 159 1HD ARG 19 1HD ARG 19 10.212 9.600 -0.998 160 2HD ARG 19 2HD ARG 19 9.790 11.207 -0.408 161 HE ARG 19 HE ARG 19 11.131 12.124 -1.866 162 1HH1 ARG 19 2HH2 ARG 19 12.366 8.850 -1.513 163 2HH1 ARG 19 1HH2 ARG 19 13.930 9.129 -2.153 164 1HH2 ARG 19 2HH1 ARG 19 13.099 12.466 -3.133 165 2HH2 ARG 19 1HH1 ARG 19 14.410 11.381 -2.965 166 H ILE 20 H ILE 20 7.681 9.767 3.296 167 HA ILE 20 HA ILE 20 8.432 9.046 5.913 168 HB ILE 20 HB ILE 20 5.956 10.107 4.624 169 1HG1 ILE 20 1HG1 ILE 20 6.150 11.639 6.661 170 2HG1 ILE 20 2HG1 ILE 20 7.615 10.771 7.108 171 1HG2 ILE 20 1HG2 ILE 20 5.889 8.807 7.364 172 2HG2 ILE 20 2HG2 ILE 20 4.648 9.908 6.713 173 3HG2 ILE 20 3HG2 ILE 20 4.915 8.356 5.942 174 1HD1 ILE 20 1HD1 ILE 20 7.140 12.468 4.638 175 2HD1 ILE 20 2HD1 ILE 20 8.185 12.852 6.003 176 3HD1 ILE 20 3HD1 ILE 20 8.638 11.536 4.911 177 H VAL 21 H VAL 21 5.959 7.327 3.869 178 HA VAL 21 HA VAL 21 5.583 5.206 5.619 179 HB VAL 21 HB VAL 21 5.667 5.051 2.566 180 1HG1 VAL 21 1HG1 VAL 21 5.693 2.778 3.445 181 2HG1 VAL 21 2HG1 VAL 21 4.432 3.168 4.637 182 3HG1 VAL 21 3HG1 VAL 21 4.056 3.122 2.902 183 1HG2 VAL 21 1HG2 VAL 21 3.237 5.311 2.658 184 2HG2 VAL 21 2HG2 VAL 21 3.287 5.458 4.425 185 3HG2 VAL 21 3HG2 VAL 21 4.007 6.703 3.371 186 H ARG 22 H ARG 22 8.183 5.451 3.114 187 HA ARG 22 HA ARG 22 9.320 2.901 3.658 188 1HB ARG 22 1HB ARG 22 9.656 4.421 1.692 189 2HB ARG 22 2HB ARG 22 10.752 5.410 2.650 190 1HG ARG 22 1HG ARG 22 11.128 2.427 2.182 191 2HG ARG 22 2HG ARG 22 11.696 3.640 1.032 192 1HD ARG 22 1HD ARG 22 12.675 3.311 3.879 193 2HD ARG 22 2HD ARG 22 13.500 2.812 2.401 194 HE ARG 22 HE ARG 22 12.915 5.571 2.148 195 1HH1 ARG 22 2HH2 ARG 22 15.109 3.315 3.821 196 2HH1 ARG 22 1HH2 ARG 22 16.188 4.516 4.378 197 1HH2 ARG 22 2HH1 ARG 22 14.452 7.239 2.862 198 2HH2 ARG 22 1HH1 ARG 22 15.782 6.738 3.871 199 H ASN 23 H ASN 23 10.015 6.112 5.114 200 HA ASN 23 HA ASN 23 12.155 5.247 6.794 201 1HB ASN 23 1HB ASN 23 11.658 7.629 6.335 202 2HB ASN 23 2HB ASN 23 10.141 7.499 7.240 203 1HD2 ASN 23 1HD2 ASN 23 10.283 8.037 9.446 204 2HD2 ASN 23 2HD2 ASN 23 11.785 7.874 10.372 205 H LEU 24 H LEU 24 8.619 5.414 7.363 206 HA LEU 24 HA LEU 24 8.720 4.549 10.097 207 1HB LEU 24 1HB LEU 24 6.507 4.277 8.029 208 2HB LEU 24 2HB LEU 24 6.302 4.024 9.759 209 HG LEU 24 HG LEU 24 7.154 6.687 8.525 210 1HD1 LEU 24 1HD1 LEU 24 4.422 5.649 9.339 211 2HD1 LEU 24 2HD1 LEU 24 4.796 7.353 8.952 212 3HD1 LEU 24 3HD1 LEU 24 4.995 6.112 7.723 213 1HD2 LEU 24 1HD2 LEU 24 7.925 6.730 10.717 214 2HD2 LEU 24 2HD2 LEU 24 6.373 7.577 10.774 215 3HD2 LEU 24 3HD2 LEU 24 6.527 5.902 11.356 216 H LEU 25 H LEU 25 8.473 2.739 7.027 217 HA LEU 25 HA LEU 25 8.199 0.122 8.189 218 1HB LEU 25 1HB LEU 25 9.205 1.216 5.548 219 2HB LEU 25 2HB LEU 25 9.430 -0.479 5.903 220 HG LEU 25 HG LEU 25 6.689 0.809 6.227 221 1HD1 LEU 25 1HD1 LEU 25 6.083 0.145 3.973 222 2HD1 LEU 25 2HD1 LEU 25 7.433 1.287 3.927 223 3HD1 LEU 25 3HD1 LEU 25 7.731 -0.447 3.664 224 1HD2 LEU 25 1HD2 LEU 25 5.873 -1.473 5.835 225 2HD2 LEU 25 2HD2 LEU 25 7.516 -2.062 5.576 226 3HD2 LEU 25 3HD2 LEU 25 7.019 -1.487 7.178 227 H LYS 26 H LYS 26 11.084 2.083 7.302 228 HA LYS 26 HA LYS 26 12.947 0.118 8.159 229 1HB LYS 26 1HB LYS 26 13.036 3.036 7.525 230 2HB LYS 26 2HB LYS 26 14.296 2.483 8.616 231 1HG LYS 26 1HG LYS 26 13.736 0.961 6.048 232 2HG LYS 26 2HG LYS 26 14.670 2.448 6.043 233 1HD LYS 26 1HD LYS 26 16.308 0.820 6.200 234 2HD LYS 26 2HD LYS 26 16.206 1.396 7.844 235 1HE LYS 26 1HE LYS 26 14.494 -0.960 7.048 236 2HE LYS 26 2HE LYS 26 16.228 -1.217 7.086 237 1HZ LYS 26 1HZ LYS 26 15.129 -1.801 9.150 238 2HZ LYS 26 2HZ LYS 26 16.310 -0.741 9.380 239 3HZ LYS 26 3HZ LYS 26 14.733 -0.237 9.453 240 H GLU 27 H GLU 27 11.396 2.793 10.003 241 HA GLU 27 HA GLU 27 12.732 2.365 12.447 242 1HB GLU 27 1HB GLU 27 9.892 3.279 11.831 243 2HB GLU 27 2HB GLU 27 10.482 3.152 13.478 244 1HG GLU 27 1HG GLU 27 11.777 4.881 11.338 245 2HG GLU 27 2HG GLU 27 10.602 5.446 12.527 246 H LEU 28 H LEU 28 9.816 0.692 11.167 247 HA LEU 28 HA LEU 28 9.570 -0.863 13.585 248 1HB LEU 28 1HB LEU 28 8.296 -1.116 10.856 249 2HB LEU 28 2HB LEU 28 7.961 -2.256 12.173 250 HG LEU 28 HG LEU 28 7.626 0.748 12.470 251 1HD1 LEU 28 1HD1 LEU 28 6.169 -0.009 10.720 252 2HD1 LEU 28 2HD1 LEU 28 5.582 -1.369 11.721 253 3HD1 LEU 28 3HD1 LEU 28 5.219 0.308 12.188 254 1HD2 LEU 28 1HD2 LEU 28 6.582 -1.594 14.138 255 2HD2 LEU 28 2HD2 LEU 28 7.804 -0.414 14.645 256 3HD2 LEU 28 3HD2 LEU 28 6.156 0.115 14.382 257 H GLY 29 H GLY 29 11.153 -1.484 10.489 258 1HA GLY 29 1HA GLY 29 13.189 -2.892 10.637 259 2HA GLY 29 2HA GLY 29 12.291 -4.002 11.677 260 H PHE 30 H PHE 30 11.715 -2.349 8.523 261 HA PHE 30 HA PHE 30 11.413 -4.987 7.226 262 1HB PHE 30 1HB PHE 30 9.683 -2.525 6.812 263 2HB PHE 30 2HB PHE 30 9.687 -3.934 5.756 264 HD1 PHE 30 1HD PHE 30 8.785 -2.695 9.146 265 HD2 PHE 30 2HD PHE 30 8.645 -6.035 6.425 266 HE1 PHE 30 1HE PHE 30 7.171 -3.865 10.644 267 HE2 PHE 30 2HE PHE 30 6.974 -7.143 7.873 268 HZ PHE 30 HZ PHE 30 6.266 -6.074 10.006 269 H ASN 31 H ASN 31 12.078 -4.904 4.971 270 HA ASN 31 HA ASN 31 13.654 -2.601 4.094 271 1HB ASN 31 1HB ASN 31 15.681 -3.764 3.800 272 2HB ASN 31 2HB ASN 31 15.194 -4.161 5.430 273 1HD2 ASN 31 1HD2 ASN 31 14.606 -6.391 5.889 274 2HD2 ASN 31 2HD2 ASN 31 14.948 -7.667 4.747 275 H ASN 32 H ASN 32 14.543 -3.296 1.785 276 HA ASN 32 HA ASN 32 14.008 -3.632 -0.368 277 1HB ASN 32 1HB ASN 32 13.476 -6.293 0.834 278 2HB ASN 32 2HB ASN 32 12.802 -6.026 -0.749 279 1HD2 ASN 32 1HD2 ASN 32 15.881 -5.903 1.059 280 2HD2 ASN 32 2HD2 ASN 32 16.906 -5.879 -0.367 281 H VAL 33 H VAL 33 12.569 -1.817 0.473 282 HA VAL 33 HA VAL 33 9.816 -2.202 -0.435 283 HB VAL 33 HB VAL 33 9.819 0.298 -0.540 284 1HG1 VAL 33 1HG1 VAL 33 9.051 -0.862 1.483 285 2HG1 VAL 33 2HG1 VAL 33 10.695 -0.866 2.145 286 3HG1 VAL 33 3HG1 VAL 33 9.817 0.660 1.888 287 1HG2 VAL 33 1HG2 VAL 33 11.636 1.609 0.128 288 2HG2 VAL 33 2HG2 VAL 33 12.506 0.254 0.879 289 3HG2 VAL 33 3HG2 VAL 33 12.404 0.414 -0.884 290 H GLU 34 H GLU 34 9.143 -1.116 -2.446 291 HA GLU 34 HA GLU 34 11.226 -0.284 -4.278 292 1HB GLU 34 1HB GLU 34 9.245 -2.464 -4.872 293 2HB GLU 34 2HB GLU 34 9.598 -1.340 -6.170 294 1HG GLU 34 1HG GLU 34 11.652 -3.027 -4.727 295 2HG GLU 34 2HG GLU 34 10.910 -3.394 -6.284 296 H GLU 35 H GLU 35 9.947 0.821 -6.178 297 HA GLU 35 HA GLU 35 7.666 2.348 -5.088 298 1HB GLU 35 1HB GLU 35 10.099 3.327 -4.734 299 2HB GLU 35 2HB GLU 35 10.021 3.691 -6.458 300 1HG GLU 35 1HG GLU 35 8.052 5.071 -6.109 301 2HG GLU 35 2HG GLU 35 7.921 4.567 -4.438 302 H ALA 36 H ALA 36 6.421 3.253 -6.744 303 HA ALA 36 HA ALA 36 7.112 2.660 -9.526 304 1HB ALA 36 1HB ALA 36 4.717 2.329 -10.005 305 2HB ALA 36 2HB ALA 36 5.263 1.091 -8.856 306 3HB ALA 36 3HB ALA 36 4.318 2.497 -8.316 307 H GLU 37 H GLU 37 6.014 4.349 -10.865 308 HA GLU 37 HA GLU 37 6.168 6.984 -9.677 309 1HB GLU 37 1HB GLU 37 4.753 6.120 -12.236 310 2HB GLU 37 2HB GLU 37 5.280 7.744 -11.772 311 1HG GLU 37 1HG GLU 37 7.670 6.655 -11.717 312 2HG GLU 37 2HG GLU 37 6.927 5.382 -12.695 313 H ASP 38 H ASP 38 3.483 4.733 -10.492 314 HA ASP 38 HA ASP 38 1.450 6.272 -9.137 315 1HB ASP 38 1HB ASP 38 0.217 6.867 -11.137 316 2HB ASP 38 2HB ASP 38 1.820 7.569 -11.264 317 H GLY 39 H GLY 39 -0.723 5.171 -9.593 318 1HA GLY 39 1HA GLY 39 -0.765 2.516 -9.007 319 2HA GLY 39 2HA GLY 39 -2.096 3.353 -9.797 320 H VAL 40 H VAL 40 -0.695 3.753 -12.452 321 HA VAL 40 HA VAL 40 -1.348 1.096 -13.486 322 HB VAL 40 HB VAL 40 -0.035 3.400 -14.990 323 1HG1 VAL 40 1HG1 VAL 40 -1.092 2.298 -16.956 324 2HG1 VAL 40 2HG1 VAL 40 0.042 1.218 -16.139 325 3HG1 VAL 40 3HG1 VAL 40 -1.703 1.009 -15.901 326 1HG2 VAL 40 1HG2 VAL 40 -2.259 4.050 -15.775 327 2HG2 VAL 40 2HG2 VAL 40 -3.017 2.829 -14.734 328 3HG2 VAL 40 3HG2 VAL 40 -2.170 4.227 -14.020 329 H ASP 41 H ASP 41 1.551 3.124 -12.942 330 HA ASP 41 HA ASP 41 3.434 1.153 -13.849 331 1HB ASP 41 1HB ASP 41 3.968 3.564 -13.602 332 2HB ASP 41 2HB ASP 41 3.894 3.395 -11.857 333 H ALA 42 H ALA 42 1.683 1.546 -10.731 334 HA ALA 42 HA ALA 42 3.277 -0.220 -9.249 335 1HB ALA 42 1HB ALA 42 1.438 1.403 -8.422 336 2HB ALA 42 2HB ALA 42 0.275 0.167 -8.907 337 3HB ALA 42 3HB ALA 42 1.463 -0.214 -7.670 338 H LEU 43 H LEU 43 0.309 -0.759 -11.182 339 HA LEU 43 HA LEU 43 0.151 -3.578 -10.763 340 1HB LEU 43 1HB LEU 43 -1.580 -1.952 -11.782 341 2HB LEU 43 2HB LEU 43 -0.651 -2.054 -13.271 342 HG LEU 43 HG LEU 43 -0.996 -4.629 -13.103 343 1HD1 LEU 43 1HD1 LEU 43 -1.810 -4.633 -10.716 344 2HD1 LEU 43 2HD1 LEU 43 -3.263 -3.759 -11.250 345 3HD1 LEU 43 3HD1 LEU 43 -2.913 -5.403 -11.847 346 1HD2 LEU 43 1HD2 LEU 43 -3.373 -2.782 -13.534 347 2HD2 LEU 43 2HD2 LEU 43 -2.140 -3.187 -14.739 348 3HD2 LEU 43 3HD2 LEU 43 -3.230 -4.451 -14.140 349 H ASN 44 H ASN 44 1.805 -1.634 -13.224 350 HA ASN 44 HA ASN 44 2.969 -3.716 -14.770 351 1HB ASN 44 1HB ASN 44 2.801 -1.286 -15.375 352 2HB ASN 44 2HB ASN 44 4.075 -0.944 -14.201 353 1HD2 ASN 44 1HD2 ASN 44 4.976 -0.003 -16.235 354 2HD2 ASN 44 2HD2 ASN 44 5.877 -1.045 -17.319 355 H LYS 45 H LYS 45 4.313 -1.932 -11.916 356 HA LYS 45 HA LYS 45 6.709 -3.441 -11.653 357 1HB LYS 45 1HB LYS 45 5.105 -1.667 -9.850 358 2HB LYS 45 2HB LYS 45 5.998 -2.933 -9.032 359 1HG LYS 45 1HG LYS 45 7.425 -1.038 -9.068 360 2HG LYS 45 2HG LYS 45 8.091 -2.223 -10.189 361 1HD LYS 45 1HD LYS 45 6.986 -0.965 -12.070 362 2HD LYS 45 2HD LYS 45 6.463 0.251 -10.887 363 1HE LYS 45 1HE LYS 45 8.806 0.733 -10.308 364 2HE LYS 45 2HE LYS 45 9.356 -0.519 -11.448 365 1HZ LYS 45 1HZ LYS 45 9.416 1.714 -12.444 366 2HZ LYS 45 2HZ LYS 45 8.333 0.738 -13.219 367 3HZ LYS 45 3HZ LYS 45 7.786 1.875 -12.191 368 H LEU 46 H LEU 46 3.427 -4.069 -10.306 369 HA LEU 46 HA LEU 46 4.164 -6.349 -8.867 370 1HB LEU 46 1HB LEU 46 1.612 -5.193 -9.871 371 2HB LEU 46 2HB LEU 46 1.571 -6.935 -9.681 372 HG LEU 46 HG LEU 46 0.763 -5.714 -7.698 373 1HD1 LEU 46 1HD1 LEU 46 3.226 -7.442 -7.315 374 2HD1 LEU 46 2HD1 LEU 46 2.032 -7.088 -6.063 375 3HD1 LEU 46 3HD1 LEU 46 1.559 -7.990 -7.514 376 1HD2 LEU 46 1HD2 LEU 46 2.145 -3.758 -7.662 377 2HD2 LEU 46 2HD2 LEU 46 2.456 -4.653 -6.182 378 3HD2 LEU 46 3HD2 LEU 46 3.637 -4.708 -7.468 379 H GLN 47 H GLN 47 3.266 -6.128 -12.300 380 HA GLN 47 HA GLN 47 3.582 -8.945 -12.797 381 1HB GLN 47 1HB GLN 47 3.821 -6.595 -14.718 382 2HB GLN 47 2HB GLN 47 3.782 -8.299 -15.188 383 1HG GLN 47 1HG GLN 47 1.595 -8.527 -13.943 384 2HG GLN 47 2HG GLN 47 1.573 -6.765 -13.794 385 1HE2 GLN 47 1HE2 GLN 47 -0.478 -8.122 -15.058 386 2HE2 GLN 47 2HE2 GLN 47 -0.450 -7.928 -16.799 387 H ALA 48 H ALA 48 6.087 -7.091 -11.625 388 HA ALA 48 HA ALA 48 8.276 -8.363 -13.081 389 1HB ALA 48 1HB ALA 48 8.628 -6.334 -11.689 390 2HB ALA 48 2HB ALA 48 8.221 -7.290 -10.241 391 3HB ALA 48 3HB ALA 48 9.651 -7.697 -11.199 392 H GLY 49 H GLY 49 6.223 -9.138 -10.276 393 1HA GLY 49 1HA GLY 49 5.554 -11.254 -9.654 394 2HA GLY 49 2HA GLY 49 6.851 -11.995 -10.573 395 H GLY 50 H GLY 50 5.871 -10.905 -7.455 396 1HA GLY 50 1HA GLY 50 7.065 -12.430 -5.795 397 2HA GLY 50 2HA GLY 50 8.539 -11.607 -6.282 398 H TYR 51 H TYR 51 5.729 -9.527 -6.116 399 HA TYR 51 HA TYR 51 6.785 -8.120 -3.816 400 1HB TYR 51 1HB TYR 51 4.247 -7.961 -5.451 401 2HB TYR 51 2HB TYR 51 4.464 -6.961 -4.024 402 HD1 TYR 51 1HD TYR 51 5.766 -7.569 -7.472 403 HD2 TYR 51 2HD TYR 51 6.125 -5.243 -3.867 404 HE1 TYR 51 1HE TYR 51 7.346 -6.058 -8.599 405 HE2 TYR 51 2HE TYR 51 7.655 -3.718 -4.988 406 HH TYR 51 HH TYR 51 8.876 -3.276 -6.978 407 H GLY 52 H GLY 52 5.495 -7.697 -1.848 408 1HA GLY 52 1HA GLY 52 3.497 -9.825 -1.167 409 2HA GLY 52 2HA GLY 52 4.749 -9.367 -0.028 410 H PHE 53 H PHE 53 4.397 -6.387 -1.103 411 HA PHE 53 HA PHE 53 1.752 -5.810 0.094 412 1HB PHE 53 1HB PHE 53 4.397 -4.468 0.778 413 2HB PHE 53 2HB PHE 53 2.846 -3.700 1.015 414 HD1 PHE 53 1HD PHE 53 1.712 -3.932 3.033 415 HD2 PHE 53 2HD PHE 53 4.782 -6.759 1.972 416 HE1 PHE 53 1HE PHE 53 1.670 -4.836 5.319 417 HE2 PHE 53 2HE PHE 53 4.655 -7.759 4.244 418 HZ PHE 53 HZ PHE 53 3.118 -6.807 5.923 419 H VAL 54 H VAL 54 0.713 -4.196 -0.948 420 HA VAL 54 HA VAL 54 2.094 -2.777 -3.161 421 HB VAL 54 HB VAL 54 -0.602 -4.185 -3.304 422 1HG1 VAL 54 1HG1 VAL 54 -0.315 -3.932 -5.770 423 2HG1 VAL 54 2HG1 VAL 54 -0.451 -2.375 -4.952 424 3HG1 VAL 54 3HG1 VAL 54 1.142 -2.965 -5.492 425 1HG2 VAL 54 1HG2 VAL 54 2.171 -5.106 -4.084 426 2HG2 VAL 54 2HG2 VAL 54 0.897 -5.965 -3.200 427 3HG2 VAL 54 3HG2 VAL 54 0.749 -5.680 -4.937 428 H ILE 55 H ILE 55 2.237 -1.297 -1.271 429 HA ILE 55 HA ILE 55 -0.249 -0.154 -0.160 430 HB ILE 55 HB ILE 55 2.765 0.266 0.186 431 1HG1 ILE 55 1HG1 ILE 55 0.805 -0.188 2.456 432 2HG1 ILE 55 2HG1 ILE 55 1.196 -1.561 1.422 433 1HG2 ILE 55 1HG2 ILE 55 1.834 2.522 0.337 434 2HG2 ILE 55 2HG2 ILE 55 0.500 1.947 1.343 435 3HG2 ILE 55 3HG2 ILE 55 2.161 1.969 1.980 436 1HD1 ILE 55 1HD1 ILE 55 3.590 -1.313 1.904 437 2HD1 ILE 55 2HD1 ILE 55 3.258 0.060 2.982 438 3HD1 ILE 55 3HD1 ILE 55 2.656 -1.559 3.383 439 H SER 56 H SER 56 -1.169 1.821 -1.041 440 HA SER 56 HA SER 56 0.535 3.384 -2.813 441 1HB SER 56 1HB SER 56 -0.965 3.395 -4.689 442 2HB SER 56 2HB SER 56 -0.568 1.711 -4.330 443 HG SER 56 HG SER 56 -2.949 3.152 -3.786 444 H ASP 57 H ASP 57 -0.550 5.429 -3.424 445 HA ASP 57 HA ASP 57 -2.296 6.557 -1.383 446 1HB ASP 57 1HB ASP 57 -0.676 7.691 -3.165 447 2HB ASP 57 2HB ASP 57 -2.113 7.695 -4.162 448 H TRP 58 H TRP 58 -4.358 7.515 -2.193 449 HA TRP 58 HA TRP 58 -6.115 5.643 -3.656 450 1HB TRP 58 1HB TRP 58 -7.014 6.912 -1.702 451 2HB TRP 58 2HB TRP 58 -6.540 8.436 -2.445 452 HD1 TRP 58 HD TRP 58 -7.913 9.116 -4.774 453 HE1 TRP 58 1HE TRP 58 -10.162 8.338 -5.731 454 HE3 TRP 58 3HE TRP 58 -8.763 5.200 -1.639 455 HZ2 TRP 58 2HZ TRP 58 -12.069 6.175 -5.230 456 HZ3 TRP 58 3HZ TRP 58 -10.865 3.891 -1.813 457 HH2 TRP 58 HH TRP 58 -12.464 4.377 -3.677 458 H ASN 59 H ASN 59 -4.657 8.911 -3.762 459 HA ASN 59 HA ASN 59 -6.137 9.572 -6.137 460 1HB ASN 59 1HB ASN 59 -5.858 11.082 -4.201 461 2HB ASN 59 2HB ASN 59 -4.115 11.115 -4.474 462 1HD2 ASN 59 1HD2 ASN 59 -6.692 11.305 -7.085 463 2HD2 ASN 59 2HD2 ASN 59 -6.235 12.946 -7.484 464 H MET 60 H MET 60 -5.287 8.227 -7.798 465 HA MET 60 HA MET 60 -2.599 9.072 -8.756 466 1HB MET 60 1HB MET 60 -3.833 6.313 -8.527 467 2HB MET 60 2HB MET 60 -2.535 6.643 -9.686 468 1HG MET 60 1HG MET 60 -2.377 7.126 -6.688 469 2HG MET 60 2HG MET 60 -1.697 5.740 -7.544 470 1HE MET 60 1HE MET 60 0.453 6.214 -6.347 471 2HE MET 60 2HE MET 60 1.483 7.656 -6.511 472 3HE MET 60 3HE MET 60 -0.040 7.738 -5.589 473 HA PRO 61 HA PRO 61 -4.670 9.881 -12.577 474 1HB PRO 61 1HB PRO 61 -2.618 9.686 -14.391 475 2HB PRO 61 2HB PRO 61 -2.768 11.035 -13.223 476 1HG PRO 61 1HG PRO 61 -1.046 8.555 -12.961 477 2HG PRO 61 2HG PRO 61 -0.592 10.263 -12.674 478 1HD PRO 61 1HD PRO 61 -1.321 8.567 -10.661 479 2HD PRO 61 2HD PRO 61 -1.719 10.305 -10.618 480 H ASN 62 H ASN 62 -5.642 8.725 -14.203 481 HA ASN 62 HA ASN 62 -6.656 6.997 -15.182 482 1HB ASN 62 1HB ASN 62 -3.909 5.691 -15.216 483 2HB ASN 62 2HB ASN 62 -5.344 5.022 -15.969 484 1HD2 ASN 62 1HD2 ASN 62 -2.782 7.357 -16.267 485 2HD2 ASN 62 2HD2 ASN 62 -3.231 7.984 -17.835 486 H MET 63 H MET 63 -4.366 5.045 -13.271 487 HA MET 63 HA MET 63 -6.651 3.459 -12.250 488 1HB MET 63 1HB MET 63 -4.854 2.294 -13.427 489 2HB MET 63 2HB MET 63 -3.653 2.904 -12.276 490 1HG MET 63 1HG MET 63 -4.588 1.640 -10.492 491 2HG MET 63 2HG MET 63 -6.055 1.276 -11.403 492 1HE MET 63 1HE MET 63 -5.317 0.208 -14.195 493 2HE MET 63 2HE MET 63 -5.197 -1.518 -13.804 494 3HE MET 63 3HE MET 63 -6.439 -0.522 -13.020 495 H ASP 64 H ASP 64 -7.461 4.712 -10.642 496 HA ASP 64 HA ASP 64 -6.052 6.028 -8.529 497 1HB ASP 64 1HB ASP 64 -8.683 4.510 -8.338 498 2HB ASP 64 2HB ASP 64 -8.093 5.699 -7.196 499 H GLY 65 H GLY 65 -5.747 5.146 -6.294 500 1HA GLY 65 1HA GLY 65 -4.610 2.574 -5.996 501 2HA GLY 65 2HA GLY 65 -5.333 3.534 -4.695 502 H LEU 66 H LEU 66 -8.018 3.611 -5.875 503 HA LEU 66 HA LEU 66 -9.100 1.199 -4.796 504 1HB LEU 66 1HB LEU 66 -10.209 3.516 -5.084 505 2HB LEU 66 2HB LEU 66 -10.520 3.084 -6.755 506 HG LEU 66 HG LEU 66 -12.461 2.824 -5.372 507 1HD1 LEU 66 1HD1 LEU 66 -11.637 -0.005 -5.920 508 2HD1 LEU 66 2HD1 LEU 66 -13.246 0.685 -5.921 509 3HD1 LEU 66 3HD1 LEU 66 -12.115 1.127 -7.222 510 1HD2 LEU 66 1HD2 LEU 66 -10.931 0.713 -3.807 511 2HD2 LEU 66 2HD2 LEU 66 -11.377 2.314 -3.215 512 3HD2 LEU 66 3HD2 LEU 66 -12.633 1.149 -3.647 513 H GLU 67 H GLU 67 -8.250 2.246 -8.109 514 HA GLU 67 HA GLU 67 -9.580 -0.082 -9.281 515 1HB GLU 67 1HB GLU 67 -7.944 2.164 -10.514 516 2HB GLU 67 2HB GLU 67 -8.810 0.908 -11.409 517 1HG GLU 67 1HG GLU 67 -10.044 3.027 -9.586 518 2HG GLU 67 2HG GLU 67 -10.101 2.987 -11.343 519 H LEU 68 H LEU 68 -6.293 0.942 -8.445 520 HA LEU 68 HA LEU 68 -4.861 -1.271 -9.567 521 1HB LEU 68 1HB LEU 68 -3.746 0.705 -8.590 522 2HB LEU 68 2HB LEU 68 -4.426 0.334 -7.011 523 HG LEU 68 HG LEU 68 -3.112 -1.808 -6.962 524 1HD1 LEU 68 1HD1 LEU 68 -1.901 -0.689 -9.527 525 2HD1 LEU 68 2HD1 LEU 68 -1.175 -1.995 -8.574 526 3HD1 LEU 68 3HD1 LEU 68 -2.749 -2.227 -9.348 527 1HD2 LEU 68 1HD2 LEU 68 -1.543 0.771 -7.346 528 2HD2 LEU 68 2HD2 LEU 68 -2.293 0.196 -5.844 529 3HD2 LEU 68 3HD2 LEU 68 -0.938 -0.697 -6.547 530 H LEU 69 H LEU 69 -6.398 -0.776 -6.380 531 HA LEU 69 HA LEU 69 -6.149 -3.363 -5.321 532 1HB LEU 69 1HB LEU 69 -6.846 -1.765 -3.819 533 2HB LEU 69 2HB LEU 69 -7.982 -1.035 -4.925 534 HG LEU 69 HG LEU 69 -9.656 -2.611 -4.564 535 1HD1 LEU 69 1HD1 LEU 69 -8.165 -4.712 -4.076 536 2HD1 LEU 69 2HD1 LEU 69 -8.177 -4.129 -2.410 537 3HD1 LEU 69 3HD1 LEU 69 -9.693 -4.509 -3.215 538 1HD2 LEU 69 1HD2 LEU 69 -9.918 -2.256 -2.029 539 2HD2 LEU 69 2HD2 LEU 69 -8.252 -1.659 -2.049 540 3HD2 LEU 69 3HD2 LEU 69 -9.498 -0.796 -2.943 541 H LYS 70 H LYS 70 -8.964 -2.036 -7.152 542 HA LYS 70 HA LYS 70 -10.394 -4.475 -7.146 543 1HB LYS 70 1HB LYS 70 -10.384 -2.153 -9.085 544 2HB LYS 70 2HB LYS 70 -11.509 -3.496 -9.232 545 1HG LYS 70 1HG LYS 70 -11.391 -2.284 -6.489 546 2HG LYS 70 2HG LYS 70 -11.941 -1.204 -7.774 547 1HD LYS 70 1HD LYS 70 -13.570 -3.013 -8.510 548 2HD LYS 70 2HD LYS 70 -13.113 -3.896 -7.029 549 1HE LYS 70 1HE LYS 70 -13.943 -2.037 -5.666 550 2HE LYS 70 2HE LYS 70 -14.236 -1.062 -7.103 551 1HZ LYS 70 1HZ LYS 70 -15.950 -2.562 -7.730 552 2HZ LYS 70 2HZ LYS 70 -15.620 -3.614 -6.516 553 3HZ LYS 70 3HZ LYS 70 -16.208 -2.111 -6.171 554 H THR 71 H THR 71 -8.027 -3.294 -9.560 555 HA THR 71 HA THR 71 -8.382 -5.379 -11.450 556 HB THR 71 HB THR 71 -5.966 -3.643 -10.737 557 HG1 THR 71 1HG THR 71 -7.510 -2.351 -11.398 558 1HG2 THR 71 1HG2 THR 71 -5.155 -5.484 -12.091 559 2HG2 THR 71 2HG2 THR 71 -6.497 -5.307 -13.241 560 3HG2 THR 71 3HG2 THR 71 -5.269 -4.034 -13.092 561 H ILE 72 H ILE 72 -6.115 -5.090 -8.641 562 HA ILE 72 HA ILE 72 -5.001 -7.713 -9.042 563 HB ILE 72 HB ILE 72 -4.985 -5.590 -6.853 564 1HG1 ILE 72 1HG1 ILE 72 -2.761 -6.857 -8.571 565 2HG1 ILE 72 2HG1 ILE 72 -3.632 -5.395 -9.014 566 1HG2 ILE 72 1HG2 ILE 72 -3.613 -8.303 -6.735 567 2HG2 ILE 72 2HG2 ILE 72 -3.335 -6.960 -5.604 568 3HG2 ILE 72 3HG2 ILE 72 -4.900 -7.757 -5.644 569 1HD1 ILE 72 1HD1 ILE 72 -2.821 -4.285 -6.917 570 2HD1 ILE 72 2HD1 ILE 72 -1.785 -5.703 -6.625 571 3HD1 ILE 72 3HD1 ILE 72 -1.552 -4.720 -8.073 572 H ARG 73 H ARG 73 -7.692 -6.443 -7.068 573 HA ARG 73 HA ARG 73 -8.313 -8.783 -5.616 574 1HB ARG 73 1HB ARG 73 -9.123 -6.336 -5.268 575 2HB ARG 73 2HB ARG 73 -10.322 -6.680 -6.504 576 1HG ARG 73 1HG ARG 73 -11.359 -6.989 -4.406 577 2HG ARG 73 2HG ARG 73 -11.134 -8.604 -5.052 578 1HD ARG 73 1HD ARG 73 -8.956 -8.674 -3.623 579 2HD ARG 73 2HD ARG 73 -9.585 -7.228 -2.818 580 HE ARG 73 HE ARG 73 -11.706 -8.836 -2.618 581 1HH1 ARG 73 2HH2 ARG 73 -8.257 -9.639 -1.903 582 2HH1 ARG 73 1HH2 ARG 73 -8.689 -11.045 -1.031 583 1HH2 ARG 73 2HH1 ARG 73 -12.151 -10.712 -1.412 584 2HH2 ARG 73 1HH1 ARG 73 -10.900 -11.462 -0.439 585 H ALA 74 H ALA 74 -9.090 -7.898 -8.919 586 HA ALA 74 HA ALA 74 -11.168 -9.880 -9.262 587 1HB ALA 74 1HB ALA 74 -10.823 -9.404 -11.640 588 2HB ALA 74 2HB ALA 74 -10.939 -7.893 -10.718 589 3HB ALA 74 3HB ALA 74 -9.362 -8.482 -11.284 590 H ASP 75 H ASP 75 -7.664 -10.079 -9.047 591 HA ASP 75 HA ASP 75 -7.271 -12.156 -10.982 592 1HB ASP 75 1HB ASP 75 -5.558 -10.482 -10.150 593 2HB ASP 75 2HB ASP 75 -5.509 -11.398 -8.628 594 H GLY 76 H GLY 76 -6.817 -14.418 -10.601 595 1HA GLY 76 1HA GLY 76 -8.508 -15.621 -8.632 596 2HA GLY 76 2HA GLY 76 -7.366 -16.448 -9.695 597 H ALA 77 H ALA 77 -5.199 -14.537 -8.445 598 HA ALA 77 HA ALA 77 -4.749 -16.079 -5.919 599 1HB ALA 77 1HB ALA 77 -3.451 -17.058 -7.726 600 2HB ALA 77 2HB ALA 77 -2.828 -15.462 -8.205 601 3HB ALA 77 3HB ALA 77 -2.361 -16.166 -6.649 602 H MET 78 H MET 78 -3.709 -13.224 -7.875 603 HA MET 78 HA MET 78 -2.297 -12.052 -5.685 604 1HB MET 78 1HB MET 78 -3.310 -10.682 -8.221 605 2HB MET 78 2HB MET 78 -2.160 -10.030 -7.062 606 1HG MET 78 1HG MET 78 -0.876 -12.280 -7.466 607 2HG MET 78 2HG MET 78 -1.749 -12.278 -8.998 608 1HE MET 78 1HE MET 78 -0.368 -9.109 -10.782 609 2HE MET 78 2HE MET 78 -1.410 -10.542 -10.893 610 3HE MET 78 3HE MET 78 -1.862 -9.188 -9.825 611 H SER 79 H SER 79 -5.623 -12.194 -6.234 612 HA SER 79 HA SER 79 -6.599 -9.805 -5.178 613 1HB SER 79 1HB SER 79 -8.477 -11.445 -4.332 614 2HB SER 79 2HB SER 79 -8.182 -11.251 -6.066 615 HG SER 79 HG SER 79 -7.743 -13.193 -6.231 616 H ALA 80 H ALA 80 -5.062 -12.484 -3.532 617 HA ALA 80 HA ALA 80 -5.788 -11.925 -0.858 618 1HB ALA 80 1HB ALA 80 -3.747 -13.246 -0.353 619 2HB ALA 80 2HB ALA 80 -4.745 -14.024 -1.605 620 3HB ALA 80 3HB ALA 80 -3.272 -13.145 -2.058 621 H LEU 81 H LEU 81 -3.635 -10.142 -2.957 622 HA LEU 81 HA LEU 81 -1.565 -9.493 -1.207 623 1HB LEU 81 1HB LEU 81 -2.791 -8.116 -3.601 624 2HB LEU 81 2HB LEU 81 -1.571 -7.269 -2.685 625 HG LEU 81 HG LEU 81 -1.083 -10.025 -3.884 626 1HD1 LEU 81 1HD1 LEU 81 0.258 -8.652 -5.578 627 2HD1 LEU 81 2HD1 LEU 81 -1.494 -8.499 -5.692 628 3HD1 LEU 81 3HD1 LEU 81 -0.595 -7.221 -4.943 629 1HD2 LEU 81 1HD2 LEU 81 1.346 -9.233 -3.545 630 2HD2 LEU 81 2HD2 LEU 81 0.689 -7.965 -2.493 631 3HD2 LEU 81 3HD2 LEU 81 0.459 -9.662 -2.080 632 HA PRO 82 HA PRO 82 -3.577 -6.299 1.295 633 1HB PRO 82 1HB PRO 82 -1.436 -5.420 2.722 634 2HB PRO 82 2HB PRO 82 -2.271 -6.972 3.047 635 1HG PRO 82 1HG PRO 82 0.310 -6.532 1.581 636 2HG PRO 82 2HG PRO 82 -0.128 -7.836 2.724 637 1HD PRO 82 1HD PRO 82 -0.216 -8.038 -0.071 638 2HD PRO 82 2HD PRO 82 -1.111 -9.089 1.066 639 H VAL 83 H VAL 83 -4.049 -5.271 -0.674 640 HA VAL 83 HA VAL 83 -2.334 -3.049 -1.530 641 HB VAL 83 HB VAL 83 -4.497 -2.386 -2.755 642 1HG1 VAL 83 1HG1 VAL 83 -3.002 -4.920 -3.544 643 2HG1 VAL 83 2HG1 VAL 83 -4.031 -3.959 -4.628 644 3HG1 VAL 83 3HG1 VAL 83 -2.577 -3.233 -3.944 645 1HG2 VAL 83 1HG2 VAL 83 -5.220 -5.310 -2.247 646 2HG2 VAL 83 2HG2 VAL 83 -6.057 -3.901 -1.555 647 3HG2 VAL 83 3HG2 VAL 83 -6.041 -4.177 -3.305 648 H LEU 84 H LEU 84 -2.451 -1.107 -0.513 649 HA LEU 84 HA LEU 84 -4.269 -0.902 1.850 650 1HB LEU 84 1HB LEU 84 -2.309 -2.215 2.424 651 2HB LEU 84 2HB LEU 84 -1.235 -1.017 1.739 652 HG LEU 84 HG LEU 84 -1.509 0.485 3.530 653 1HD1 LEU 84 1HD1 LEU 84 -3.983 -1.076 4.358 654 2HD1 LEU 84 2HD1 LEU 84 -3.201 0.147 5.383 655 3HD1 LEU 84 3HD1 LEU 84 -3.896 0.626 3.845 656 1HD2 LEU 84 1HD2 LEU 84 -1.694 -2.345 4.659 657 2HD2 LEU 84 2HD2 LEU 84 -0.222 -1.572 4.056 658 3HD2 LEU 84 3HD2 LEU 84 -1.024 -0.954 5.507 659 H MET 85 H MET 85 -5.175 1.060 1.744 660 HA MET 85 HA MET 85 -4.071 3.057 -0.092 661 1HB MET 85 1HB MET 85 -6.527 3.207 1.686 662 2HB MET 85 2HB MET 85 -6.162 4.232 0.309 663 1HG MET 85 1HG MET 85 -6.724 1.223 0.142 664 2HG MET 85 2HG MET 85 -7.915 2.483 -0.054 665 1HE MET 85 1HE MET 85 -4.235 1.638 -1.702 666 2HE MET 85 2HE MET 85 -5.356 0.254 -1.723 667 3HE MET 85 3HE MET 85 -4.916 1.077 -3.231 668 H VAL 86 H VAL 86 -2.719 4.683 0.551 669 HA VAL 86 HA VAL 86 -2.762 5.678 3.343 670 HB VAL 86 HB VAL 86 -0.291 4.966 1.685 671 1HG1 VAL 86 1HG1 VAL 86 0.955 5.485 3.783 672 2HG1 VAL 86 2HG1 VAL 86 0.156 6.886 3.104 673 3HG1 VAL 86 3HG1 VAL 86 -0.557 6.081 4.523 674 1HG2 VAL 86 1HG2 VAL 86 -1.414 3.586 4.164 675 2HG2 VAL 86 2HG2 VAL 86 -1.278 2.906 2.537 676 3HG2 VAL 86 3HG2 VAL 86 0.192 3.273 3.424 677 H THR 87 H THR 87 -3.652 7.710 3.020 678 HA THR 87 HA THR 87 -2.735 9.289 0.683 679 HB THR 87 HB THR 87 -4.470 7.681 -0.025 680 HG1 THR 87 1HG THR 87 -4.489 9.534 -1.108 681 1HG2 THR 87 1HG2 THR 87 -6.294 9.015 2.032 682 2HG2 THR 87 2HG2 THR 87 -6.800 7.901 0.753 683 3HG2 THR 87 3HG2 THR 87 -5.741 7.333 2.050 684 H ALA 88 H ALA 88 -3.681 11.463 0.665 685 HA ALA 88 HA ALA 88 -4.277 12.708 3.267 686 1HB ALA 88 1HB ALA 88 -4.440 13.698 0.370 687 2HB ALA 88 2HB ALA 88 -4.626 14.707 1.815 688 3HB ALA 88 3HB ALA 88 -3.057 13.935 1.461 689 H GLU 89 H GLU 89 -6.015 11.055 0.714 690 HA GLU 89 HA GLU 89 -8.349 12.688 0.706 691 1HB GLU 89 1HB GLU 89 -7.812 9.898 -0.396 692 2HB GLU 89 2HB GLU 89 -9.218 10.872 -0.783 693 1HG GLU 89 1HG GLU 89 -6.328 11.716 -1.361 694 2HG GLU 89 2HG GLU 89 -7.402 10.925 -2.512 695 H ALA 90 H ALA 90 -9.062 12.777 2.907 696 HA ALA 90 HA ALA 90 -10.074 10.438 4.282 697 1HB ALA 90 1HB ALA 90 -9.397 12.726 5.291 698 2HB ALA 90 2HB ALA 90 -10.978 13.292 4.747 699 3HB ALA 90 3HB ALA 90 -10.877 11.950 5.902 700 H LYS 91 H LYS 91 -11.140 11.546 1.459 701 HA LYS 91 HA LYS 91 -13.796 12.329 1.549 702 1HB LYS 91 1HB LYS 91 -12.186 12.108 -0.447 703 2HB LYS 91 2HB LYS 91 -12.534 10.408 -0.417 704 1HG LYS 91 1HG LYS 91 -13.978 11.050 -2.041 705 2HG LYS 91 2HG LYS 91 -15.079 11.186 -0.672 706 1HD LYS 91 1HD LYS 91 -14.851 13.597 -0.656 707 2HD LYS 91 2HD LYS 91 -13.388 13.519 -1.653 708 1HE LYS 91 1HE LYS 91 -14.908 12.403 -3.450 709 2HE LYS 91 2HE LYS 91 -16.256 13.094 -2.535 710 1HZ LYS 91 1HZ LYS 91 -13.950 14.576 -3.649 711 2HZ LYS 91 2HZ LYS 91 -15.432 14.537 -4.327 712 3HZ LYS 91 3HZ LYS 91 -15.196 15.280 -2.848 713 H LYS 92 H LYS 92 -15.408 11.357 2.695 714 HA LYS 92 HA LYS 92 -15.143 8.856 3.811 715 1HB LYS 92 1HB LYS 92 -16.796 10.800 4.348 716 2HB LYS 92 2HB LYS 92 -17.897 9.989 3.217 717 1HG LYS 92 1HG LYS 92 -17.810 7.938 4.561 718 2HG LYS 92 2HG LYS 92 -16.574 8.651 5.621 719 1HD LYS 92 1HD LYS 92 -18.176 10.407 6.323 720 2HD LYS 92 2HD LYS 92 -19.428 9.674 5.282 721 1HE LYS 92 1HE LYS 92 -19.242 7.556 6.537 722 2HE LYS 92 2HE LYS 92 -17.957 8.241 7.545 723 1HZ LYS 92 1HZ LYS 92 -19.540 9.814 8.434 724 2HZ LYS 92 2HZ LYS 92 -20.724 9.276 7.431 725 3HZ LYS 92 3HZ LYS 92 -20.132 8.288 8.596 726 H GLU 93 H GLU 93 -16.993 9.640 0.823 727 HA GLU 93 HA GLU 93 -17.842 7.109 0.135 728 1HB GLU 93 1HB GLU 93 -16.873 9.505 -1.509 729 2HB GLU 93 2HB GLU 93 -17.410 8.026 -2.296 730 1HG GLU 93 1HG GLU 93 -19.241 9.506 -2.266 731 2HG GLU 93 2HG GLU 93 -19.570 8.146 -1.192 732 H ASN 94 H ASN 94 -14.559 8.433 -0.281 733 HA ASN 94 HA ASN 94 -13.580 6.230 -1.904 734 1HB ASN 94 1HB ASN 94 -12.020 8.166 -0.150 735 2HB ASN 94 2HB ASN 94 -11.328 6.971 -1.208 736 1HD2 ASN 94 1HD2 ASN 94 -10.280 9.123 -1.869 737 2HD2 ASN 94 2HD2 ASN 94 -11.067 10.060 -3.119 738 H ILE 95 H ILE 95 -13.630 6.980 1.623 739 HA ILE 95 HA ILE 95 -12.324 4.544 2.417 740 HB ILE 95 HB ILE 95 -14.285 6.342 3.897 741 1HG1 ILE 95 1HG1 ILE 95 -12.229 6.346 5.486 742 2HG1 ILE 95 2HG1 ILE 95 -11.332 5.653 4.153 743 1HG2 ILE 95 1HG2 ILE 95 -13.990 4.935 5.893 744 2HG2 ILE 95 2HG2 ILE 95 -14.827 4.053 4.649 745 3HG2 ILE 95 3HG2 ILE 95 -13.105 3.728 4.928 746 1HD1 ILE 95 1HD1 ILE 95 -11.077 8.128 4.375 747 2HD1 ILE 95 2HD1 ILE 95 -11.776 7.699 2.810 748 3HD1 ILE 95 3HD1 ILE 95 -12.811 8.330 4.118 749 H ILE 96 H ILE 96 -15.821 5.216 1.843 750 HA ILE 96 HA ILE 96 -16.795 2.599 2.374 751 HB ILE 96 HB ILE 96 -17.818 4.805 0.550 752 1HG1 ILE 96 1HG1 ILE 96 -19.884 4.445 2.039 753 2HG1 ILE 96 2HG1 ILE 96 -18.863 3.449 3.077 754 1HG2 ILE 96 1HG2 ILE 96 -19.832 3.464 0.043 755 2HG2 ILE 96 2HG2 ILE 96 -18.408 2.770 -0.694 756 3HG2 ILE 96 3HG2 ILE 96 -19.073 2.041 0.789 757 1HD1 ILE 96 1HD1 ILE 96 -17.437 5.439 3.490 758 2HD1 ILE 96 2HD1 ILE 96 -18.451 6.381 2.350 759 3HD1 ILE 96 3HD1 ILE 96 -19.133 5.787 3.867 760 H ALA 97 H ALA 97 -15.772 3.993 -0.779 761 HA ALA 97 HA ALA 97 -16.031 1.726 -2.340 762 1HB ALA 97 1HB ALA 97 -15.577 3.933 -3.260 763 2HB ALA 97 2HB ALA 97 -14.020 3.982 -2.439 764 3HB ALA 97 3HB ALA 97 -14.278 2.838 -3.778 765 H ALA 98 H ALA 98 -13.062 2.718 -0.488 766 HA ALA 98 HA ALA 98 -11.493 0.510 -1.363 767 1HB ALA 98 1HB ALA 98 -10.475 2.421 -0.239 768 2HB ALA 98 2HB ALA 98 -11.403 2.087 1.242 769 3HB ALA 98 3HB ALA 98 -10.140 0.958 0.699 770 H ALA 99 H ALA 99 -13.725 0.824 1.438 771 HA ALA 99 HA ALA 99 -13.135 -1.803 2.480 772 1HB ALA 99 1HB ALA 99 -15.592 -0.013 2.857 773 2HB ALA 99 2HB ALA 99 -15.142 -1.407 3.862 774 3HB ALA 99 3HB ALA 99 -14.117 0.037 3.841 775 H GLN 100 H GLN 100 -15.543 -0.548 0.164 776 HA GLN 100 HA GLN 100 -17.027 -2.945 -0.236 777 1HB GLN 100 1HB GLN 100 -16.491 -0.562 -2.071 778 2HB GLN 100 2HB GLN 100 -17.553 -1.884 -2.495 779 1HG GLN 100 1HG GLN 100 -17.948 -0.025 -0.119 780 2HG GLN 100 2HG GLN 100 -18.776 0.087 -1.667 781 1HE2 GLN 100 1HE2 GLN 100 -20.070 -1.909 -2.310 782 2HE2 GLN 100 2HE2 GLN 100 -20.867 -2.807 -1.028 783 H ALA 101 H ALA 101 -14.288 -1.580 -2.213 784 HA ALA 101 HA ALA 101 -13.946 -3.838 -3.843 785 1HB ALA 101 1HB ALA 101 -12.975 -1.510 -4.179 786 2HB ALA 101 2HB ALA 101 -11.856 -1.837 -2.884 787 3HB ALA 101 3HB ALA 101 -11.802 -2.834 -4.363 788 H GLY 102 H GLY 102 -12.830 -3.220 -0.524 789 1HA GLY 102 1HA GLY 102 -12.489 -4.969 1.016 790 2HA GLY 102 2HA GLY 102 -12.105 -6.086 -0.300 791 H ALA 103 H ALA 103 -10.763 -2.816 0.317 792 HA ALA 103 HA ALA 103 -8.054 -3.659 -0.136 793 1HB ALA 103 1HB ALA 103 -9.209 -1.211 -0.132 794 2HB ALA 103 2HB ALA 103 -8.660 -1.206 1.527 795 3HB ALA 103 3HB ALA 103 -7.487 -1.433 0.203 796 H SER 104 H SER 104 -6.340 -3.940 1.419 797 HA SER 104 HA SER 104 -7.115 -5.252 3.839 798 1HB SER 104 1HB SER 104 -4.724 -5.256 4.338 799 2HB SER 104 2HB SER 104 -5.084 -5.859 2.723 800 HG SER 104 HG SER 104 -4.477 -3.729 1.944 801 H GLY 105 H GLY 105 -6.751 -1.848 3.188 802 1HA GLY 105 1HA GLY 105 -7.787 -1.082 5.644 803 2HA GLY 105 2HA GLY 105 -6.017 -0.982 5.785 804 H TYR 106 H TYR 106 -7.297 1.269 6.134 805 HA TYR 106 HA TYR 106 -6.667 2.882 3.767 806 1HB TYR 106 1HB TYR 106 -9.238 2.363 4.126 807 2HB TYR 106 2HB TYR 106 -9.109 3.490 5.461 808 HD1 TYR 106 1HD TYR 106 -9.470 3.057 1.946 809 HD2 TYR 106 2HD TYR 106 -8.223 5.937 4.891 810 HE1 TYR 106 1HE TYR 106 -9.922 4.890 0.329 811 HE2 TYR 106 2HE TYR 106 -8.543 7.749 3.239 812 HH TYR 106 HH TYR 106 -9.365 8.323 1.180 813 H VAL 107 H VAL 107 -5.483 4.612 4.367 814 HA VAL 107 HA VAL 107 -5.278 5.410 7.231 815 HB VAL 107 HB VAL 107 -3.096 4.886 5.189 816 1HG1 VAL 107 1HG1 VAL 107 -2.826 5.982 8.016 817 2HG1 VAL 107 2HG1 VAL 107 -1.486 5.561 6.924 818 3HG1 VAL 107 3HG1 VAL 107 -2.543 6.915 6.536 819 1HG2 VAL 107 1HG2 VAL 107 -2.281 3.337 6.737 820 2HG2 VAL 107 2HG2 VAL 107 -3.623 3.605 7.867 821 3HG2 VAL 107 3HG2 VAL 107 -3.903 2.855 6.276 822 H VAL 108 H VAL 108 -6.379 7.319 7.103 823 HA VAL 108 HA VAL 108 -5.654 9.243 4.994 824 HB VAL 108 HB VAL 108 -7.013 9.928 7.611 825 1HG1 VAL 108 1HG1 VAL 108 -7.815 11.821 6.369 826 2HG1 VAL 108 2HG1 VAL 108 -6.101 11.744 6.034 827 3HG1 VAL 108 3HG1 VAL 108 -7.243 11.159 4.815 828 1HG2 VAL 108 1HG2 VAL 108 -9.191 9.747 6.430 829 2HG2 VAL 108 2HG2 VAL 108 -8.375 8.995 5.045 830 3HG2 VAL 108 3HG2 VAL 108 -8.432 8.170 6.617 831 H LYS 109 H LYS 109 -4.076 10.748 5.318 832 HA LYS 109 HA LYS 109 -2.057 10.589 7.334 833 1HB LYS 109 1HB LYS 109 -1.807 11.561 5.073 834 2HB LYS 109 2HB LYS 109 -3.003 12.791 5.453 835 1HG LYS 109 1HG LYS 109 -1.416 13.779 7.105 836 2HG LYS 109 2HG LYS 109 -0.202 12.556 6.638 837 1HD LYS 109 1HD LYS 109 -0.141 13.394 4.359 838 2HD LYS 109 2HD LYS 109 -1.548 14.407 4.649 839 1HE LYS 109 1HE LYS 109 0.311 15.850 4.640 840 2HE LYS 109 2HE LYS 109 -0.249 15.747 6.310 841 1HZ LYS 109 1HZ LYS 109 1.614 14.287 6.796 842 2HZ LYS 109 2HZ LYS 109 2.048 14.235 5.196 843 3HZ LYS 109 3HZ LYS 109 2.169 15.627 6.030 844 HA PRO 110 HA PRO 110 -0.706 11.942 8.634 845 1HB PRO 110 1HB PRO 110 -0.139 12.384 11.240 846 2HB PRO 110 2HB PRO 110 -0.378 13.711 10.073 847 1HG PRO 110 1HG PRO 110 -2.365 12.609 12.071 848 2HG PRO 110 2HG PRO 110 -1.976 14.320 11.698 849 1HD PRO 110 1HD PRO 110 -4.130 12.950 10.611 850 2HD PRO 110 2HD PRO 110 -3.298 14.294 9.779 851 H PHE 111 H PHE 111 0.616 10.356 10.033 852 HA PHE 111 HA PHE 111 -0.624 8.141 11.319 853 1HB PHE 111 1HB PHE 111 -0.556 6.574 9.498 854 2HB PHE 111 2HB PHE 111 -1.489 7.895 8.895 855 HD1 PHE 111 1HD PHE 111 -0.439 9.423 7.159 856 HD2 PHE 111 2HD PHE 111 1.554 5.889 8.602 857 HE1 PHE 111 1HE PHE 111 1.050 9.471 5.194 858 HE2 PHE 111 2HE PHE 111 3.035 5.934 6.608 859 HZ PHE 111 HZ PHE 111 2.772 7.750 4.901 860 H THR 112 H THR 112 1.089 6.669 11.890 861 HA THR 112 HA THR 112 3.867 7.403 11.190 862 HB THR 112 HB THR 112 4.428 7.426 13.570 863 HG1 THR 112 1HG THR 112 2.957 7.331 15.126 864 1HG2 THR 112 1HG2 THR 112 3.757 9.608 14.132 865 2HG2 THR 112 2HG2 THR 112 4.010 9.537 12.381 866 3HG2 THR 112 3HG2 THR 112 2.352 9.536 13.042 867 H ALA 113 H ALA 113 5.174 5.715 13.014 868 HA ALA 113 HA ALA 113 4.789 3.143 11.792 869 1HB ALA 113 1HB ALA 113 7.029 3.848 12.500 870 2HB ALA 113 2HB ALA 113 6.475 3.938 14.191 871 3HB ALA 113 3HB ALA 113 6.504 2.397 13.369 872 H ALA 114 H ALA 114 3.720 4.758 14.775 873 HA ALA 114 HA ALA 114 2.672 2.533 16.144 874 1HB ALA 114 1HB ALA 114 2.824 4.795 17.111 875 2HB ALA 114 2HB ALA 114 1.518 5.352 16.027 876 3HB ALA 114 3HB ALA 114 1.193 4.132 17.267 877 H THR 115 H THR 115 1.450 3.931 13.147 878 HA THR 115 HA THR 115 -0.910 2.149 13.453 879 HB THR 115 HB THR 115 -1.243 4.711 13.082 880 HG1 THR 115 1HG THR 115 -2.945 3.487 13.146 881 1HG2 THR 115 1HG2 THR 115 -0.960 3.742 10.201 882 2HG2 THR 115 2HG2 THR 115 -1.653 5.265 10.746 883 3HG2 THR 115 3HG2 THR 115 0.082 4.944 11.008 884 H LEU 116 H LEU 116 1.975 2.866 11.521 885 HA LEU 116 HA LEU 116 1.529 1.149 9.296 886 1HB LEU 116 1HB LEU 116 3.467 2.774 9.787 887 2HB LEU 116 2HB LEU 116 4.158 1.433 10.673 888 HG LEU 116 HG LEU 116 5.185 1.501 8.569 889 1HD1 LEU 116 1HD1 LEU 116 4.542 -0.773 9.356 890 2HD1 LEU 116 2HD1 LEU 116 3.133 -0.724 8.277 891 3HD1 LEU 116 3HD1 LEU 116 4.767 -0.651 7.616 892 1HD2 LEU 116 1HD2 LEU 116 3.489 2.829 7.321 893 2HD2 LEU 116 2HD2 LEU 116 4.131 1.452 6.422 894 3HD2 LEU 116 3HD2 LEU 116 2.519 1.325 7.133 895 H GLU 117 H GLU 117 2.852 0.451 12.572 896 HA GLU 117 HA GLU 117 3.006 -2.347 12.261 897 1HB GLU 117 1HB GLU 117 3.565 -2.402 14.511 898 2HB GLU 117 2HB GLU 117 4.161 -0.875 13.920 899 1HG GLU 117 1HG GLU 117 3.227 0.012 15.751 900 2HG GLU 117 2HG GLU 117 1.701 -0.071 14.884 901 H GLU 118 H GLU 118 0.271 -0.266 13.152 902 HA GLU 118 HA GLU 118 -1.327 -2.445 14.138 903 1HB GLU 118 1HB GLU 118 -1.593 -0.117 14.897 904 2HB GLU 118 2HB GLU 118 -2.174 0.352 13.285 905 1HG GLU 118 1HG GLU 118 -4.130 -1.009 13.483 906 2HG GLU 118 2HG GLU 118 -3.493 -1.853 14.897 907 H LYS 119 H LYS 119 -0.990 -0.793 11.002 908 HA LYS 119 HA LYS 119 -3.150 -2.176 9.652 909 1HB LYS 119 1HB LYS 119 -0.556 -1.062 8.519 910 2HB LYS 119 2HB LYS 119 -1.940 -1.587 7.564 911 1HG LYS 119 1HG LYS 119 -3.096 0.361 7.880 912 2HG LYS 119 2HG LYS 119 -2.629 0.493 9.573 913 1HD LYS 119 1HD LYS 119 -1.662 2.330 8.482 914 2HD LYS 119 2HD LYS 119 -0.387 1.244 8.897 915 1HE LYS 119 1HE LYS 119 -0.114 0.427 6.651 916 2HE LYS 119 2HE LYS 119 -1.565 1.291 6.113 917 1HZ LYS 119 1HZ LYS 119 0.950 2.567 7.007 918 2HZ LYS 119 2HZ LYS 119 0.394 2.472 5.457 919 3HZ LYS 119 3HZ LYS 119 -0.415 3.368 6.555 920 H LEU 120 H LEU 120 0.328 -2.811 10.101 921 HA LEU 120 HA LEU 120 0.531 -5.264 8.653 922 1HB LEU 120 1HB LEU 120 2.027 -4.066 10.993 923 2HB LEU 120 2HB LEU 120 2.459 -5.635 10.344 924 HG LEU 120 HG LEU 120 2.414 -3.111 8.645 925 1HD1 LEU 120 1HD1 LEU 120 4.931 -3.171 8.989 926 2HD1 LEU 120 2HD1 LEU 120 4.000 -2.714 10.422 927 3HD1 LEU 120 3HD1 LEU 120 4.651 -4.347 10.295 928 1HD2 LEU 120 1HD2 LEU 120 3.855 -4.354 7.150 929 2HD2 LEU 120 2HD2 LEU 120 3.907 -5.733 8.264 930 3HD2 LEU 120 3HD2 LEU 120 2.387 -5.304 7.457 931 H ASN 121 H ASN 121 0.095 -4.717 12.197 932 HA ASN 121 HA ASN 121 -0.434 -7.340 12.993 933 1HB ASN 121 1HB ASN 121 -0.099 -5.652 14.653 934 2HB ASN 121 2HB ASN 121 -1.396 -4.650 14.005 935 1HD2 ASN 121 1HD2 ASN 121 -0.705 -7.323 16.157 936 2HD2 ASN 121 2HD2 ASN 121 -2.341 -7.540 16.703 937 H LYS 122 H LYS 122 -2.778 -4.929 11.709 938 HA LYS 122 HA LYS 122 -5.087 -6.558 11.825 939 1HB LYS 122 1HB LYS 122 -4.279 -4.165 10.241 940 2HB LYS 122 2HB LYS 122 -5.536 -5.178 9.524 941 1HG LYS 122 1HG LYS 122 -6.894 -5.047 11.506 942 2HG LYS 122 2HG LYS 122 -5.648 -4.171 12.398 943 1HD LYS 122 1HD LYS 122 -6.809 -3.030 9.826 944 2HD LYS 122 2HD LYS 122 -7.686 -2.908 11.342 945 1HE LYS 122 1HE LYS 122 -4.978 -2.128 11.886 946 2HE LYS 122 2HE LYS 122 -5.475 -1.280 10.417 947 1HZ LYS 122 1HZ LYS 122 -7.416 -0.444 11.645 948 2HZ LYS 122 2HZ LYS 122 -6.933 -1.269 13.002 949 3HZ LYS 122 3HZ LYS 122 -6.054 -0.027 12.406 950 H ILE 123 H ILE 123 -2.838 -6.302 8.942 951 HA ILE 123 HA ILE 123 -4.320 -8.474 7.768 952 HB ILE 123 HB ILE 123 -2.549 -8.560 6.061 953 1HG1 ILE 123 1HG1 ILE 123 -1.203 -6.369 7.684 954 2HG1 ILE 123 2HG1 ILE 123 -0.577 -8.001 7.397 955 1HG2 ILE 123 1HG2 ILE 123 -3.123 -6.465 5.081 956 2HG2 ILE 123 2HG2 ILE 123 -4.519 -7.028 5.998 957 3HG2 ILE 123 3HG2 ILE 123 -3.480 -5.733 6.660 958 1HD1 ILE 123 1HD1 ILE 123 -0.945 -5.749 5.407 959 2HD1 ILE 123 2HD1 ILE 123 0.524 -6.622 5.899 960 3HD1 ILE 123 3HD1 ILE 123 -0.696 -7.449 4.914 961 H PHE 124 H PHE 124 -1.412 -8.513 9.800 962 HA PHE 124 HA PHE 124 -0.608 -11.182 9.293 963 1HB PHE 124 1HB PHE 124 -0.590 -9.583 11.873 964 2HB PHE 124 2HB PHE 124 0.236 -11.114 11.643 965 HD1 PHE 124 1HD PHE 124 1.595 -8.710 12.686 966 HD2 PHE 124 2HD PHE 124 1.159 -10.108 8.624 967 HE1 PHE 124 1HE PHE 124 3.700 -7.577 12.053 968 HE2 PHE 124 2HE PHE 124 3.230 -8.956 8.002 969 HZ PHE 124 HZ PHE 124 4.535 -7.705 9.717 970 H GLU 125 H GLU 125 -2.894 -9.888 11.766 971 HA GLU 125 HA GLU 125 -3.536 -12.589 12.558 972 1HB GLU 125 1HB GLU 125 -4.904 -9.994 13.294 973 2HB GLU 125 2HB GLU 125 -4.999 -11.502 14.193 974 1HG GLU 125 1HG GLU 125 -2.299 -10.133 13.796 975 2HG GLU 125 2HG GLU 125 -3.436 -9.551 14.987 976 H LYS 126 H LYS 126 -5.095 -10.130 10.546 977 HA LYS 126 HA LYS 126 -7.678 -11.454 10.367 978 1HB LYS 126 1HB LYS 126 -7.450 -8.993 10.065 979 2HB LYS 126 2HB LYS 126 -6.495 -9.261 8.605 980 1HG LYS 126 1HG LYS 126 -8.512 -10.546 7.687 981 2HG LYS 126 2HG LYS 126 -9.429 -9.914 9.050 982 1HD LYS 126 1HD LYS 126 -9.211 -7.652 8.237 983 2HD LYS 126 2HD LYS 126 -7.905 -8.107 7.142 984 1HE LYS 126 1HE LYS 126 -9.810 -7.788 5.761 985 2HE LYS 126 2HE LYS 126 -9.496 -9.526 5.821 986 1HZ LYS 126 1HZ LYS 126 -11.541 -8.156 7.469 987 2HZ LYS 126 2HZ LYS 126 -11.853 -8.908 6.043 988 3HZ LYS 126 3HZ LYS 126 -11.342 -9.768 7.341 989 H LEU 127 H LEU 127 -5.376 -10.724 7.675 990 HA LEU 127 HA LEU 127 -6.504 -12.759 6.029 991 1HB LEU 127 1HB LEU 127 -3.781 -11.618 5.573 992 2HB LEU 127 2HB LEU 127 -4.966 -12.106 4.389 993 HG LEU 127 HG LEU 127 -4.956 -9.539 6.042 994 1HD1 LEU 127 1HD1 LEU 127 -3.371 -9.512 4.172 995 2HD1 LEU 127 2HD1 LEU 127 -4.649 -9.987 3.052 996 3HD1 LEU 127 3HD1 LEU 127 -4.724 -8.418 3.864 997 1HD2 LEU 127 1HD2 LEU 127 -7.026 -10.494 4.041 998 2HD2 LEU 127 2HD2 LEU 127 -7.266 -10.336 5.782 999 3HD2 LEU 127 3HD2 LEU 127 -6.966 -8.886 4.805 1000 H GLY 128 H GLY 128 -3.887 -12.774 8.404 1001 1HA GLY 128 1HA GLY 128 -2.875 -14.735 9.273 1002 2HA GLY 128 2HA GLY 128 -3.287 -15.613 7.806 1003 H MET 129 H MET 129 -1.859 -12.290 7.787 1004 HA MET 129 HA MET 129 0.090 -13.314 5.851 1005 1HB MET 129 2HB MET 129 -0.341 -10.538 6.993 1006 2HB MET 129 3HB MET 129 0.989 -10.953 5.910 1007 1HG MET 129 2HG MET 129 -1.946 -10.961 5.335 1008 2HG MET 129 3HG MET 129 -0.719 -9.991 4.572 1009 1HE MET 129 1HE MET 129 -2.073 -10.606 2.331 1010 2HE MET 129 2HE MET 129 -2.096 -12.222 1.595 1011 3HE MET 129 3HE MET 129 -3.109 -11.885 3.005 Start of MODEL 15 1 1H MET 1 H MET 1 20.801 -19.921 -1.843 2 2H MET 1 2HN MET 1 19.803 -21.246 -2.002 3 3H MET 1 3HN MET 1 19.311 -19.759 -2.509 4 HA MET 1 HA MET 1 18.263 -20.428 -0.494 5 1HB MET 1 2HB MET 1 20.340 -21.650 0.323 6 2HB MET 1 3HB MET 1 21.003 -20.072 0.788 7 1HG MET 1 2HG MET 1 19.026 -19.697 2.252 8 2HG MET 1 3HG MET 1 18.329 -21.211 1.671 9 1HE MET 1 1HE MET 1 18.902 -22.563 5.114 10 2HE MET 1 2HE MET 1 17.970 -21.236 4.378 11 3HE MET 1 3HE MET 1 18.024 -22.830 3.591 12 H ALA 2 H ALA 2 17.114 -18.678 0.089 13 HA ALA 2 HA ALA 2 18.413 -16.108 0.554 14 1HB ALA 2 1HB ALA 2 18.028 -16.202 -1.915 15 2HB ALA 2 2HB ALA 2 16.302 -16.512 -1.627 16 3HB ALA 2 3HB ALA 2 17.038 -14.966 -1.139 17 H ASP 3 H ASP 3 15.804 -14.834 0.314 18 HA ASP 3 HA ASP 3 14.228 -15.991 2.560 19 1HB ASP 3 1HB ASP 3 14.816 -13.066 1.908 20 2HB ASP 3 2HB ASP 3 13.663 -13.611 3.120 21 H LYS 4 H LYS 4 11.851 -14.721 2.252 22 HA LYS 4 HA LYS 4 11.017 -14.924 -0.558 23 1HB LYS 4 1HB LYS 4 9.756 -13.728 1.944 24 2HB LYS 4 2HB LYS 4 9.164 -13.296 0.339 25 1HG LYS 4 1HG LYS 4 7.757 -15.025 0.831 26 2HG LYS 4 2HG LYS 4 9.011 -15.811 -0.130 27 1HD LYS 4 1HD LYS 4 8.686 -17.260 1.684 28 2HD LYS 4 2HD LYS 4 10.147 -16.358 2.121 29 1HE LYS 4 1HE LYS 4 8.424 -14.746 3.340 30 2HE LYS 4 2HE LYS 4 7.327 -16.131 3.212 31 1HZ LYS 4 1HZ LYS 4 8.433 -16.296 5.269 32 2HZ LYS 4 2HZ LYS 4 9.170 -17.421 4.309 33 3HZ LYS 4 3HZ LYS 4 9.913 -15.989 4.614 34 H GLU 5 H GLU 5 12.304 -12.492 1.596 35 HA GLU 5 HA GLU 5 12.691 -10.296 1.491 36 1HB GLU 5 1HB GLU 5 13.304 -10.587 -1.463 37 2HB GLU 5 2HB GLU 5 13.830 -9.325 -0.342 38 1HG GLU 5 1HG GLU 5 15.126 -11.043 0.920 39 2HG GLU 5 2HG GLU 5 14.695 -12.244 -0.317 40 H LEU 6 H LEU 6 10.318 -10.557 1.899 41 HA LEU 6 HA LEU 6 8.323 -10.374 -0.072 42 1HB LEU 6 1HB LEU 6 7.852 -11.031 2.222 43 2HB LEU 6 2HB LEU 6 8.317 -9.437 2.823 44 HG LEU 6 HG LEU 6 6.341 -9.081 0.718 45 1HD1 LEU 6 1HD1 LEU 6 5.450 -10.976 2.900 46 2HD1 LEU 6 2HD1 LEU 6 4.409 -10.206 1.683 47 3HD1 LEU 6 3HD1 LEU 6 5.644 -11.370 1.175 48 1HD2 LEU 6 1HD2 LEU 6 6.765 -7.468 2.492 49 2HD2 LEU 6 2HD2 LEU 6 5.064 -7.959 2.445 50 3HD2 LEU 6 3HD2 LEU 6 6.147 -8.618 3.702 51 H LYS 7 H LYS 7 8.257 -8.855 -1.573 52 HA LYS 7 HA LYS 7 9.729 -6.436 -1.065 53 1HB LYS 7 1HB LYS 7 9.542 -7.883 -3.258 54 2HB LYS 7 2HB LYS 7 8.223 -6.763 -3.661 55 1HG LYS 7 1HG LYS 7 9.673 -4.844 -3.582 56 2HG LYS 7 2HG LYS 7 10.930 -5.783 -2.769 57 1HD LYS 7 1HD LYS 7 10.888 -7.286 -4.837 58 2HD LYS 7 2HD LYS 7 10.182 -5.867 -5.640 59 1HE LYS 7 1HE LYS 7 12.172 -4.593 -5.240 60 2HE LYS 7 2HE LYS 7 12.696 -5.661 -3.944 61 1HZ LYS 7 1HZ LYS 7 12.629 -6.365 -6.801 62 2HZ LYS 7 2HZ LYS 7 13.952 -5.877 -5.968 63 3HZ LYS 7 3HZ LYS 7 13.212 -7.325 -5.579 64 H PHE 8 H PHE 8 9.060 -4.346 -0.906 65 HA PHE 8 HA PHE 8 6.154 -4.061 -0.229 66 1HB PHE 8 1HB PHE 8 8.694 -3.241 1.111 67 2HB PHE 8 2HB PHE 8 7.435 -2.019 1.055 68 HD1 PHE 8 1HD PHE 8 8.439 -5.169 2.639 69 HD2 PHE 8 2HD PHE 8 5.347 -2.209 2.163 70 HE1 PHE 8 1HE PHE 8 7.419 -5.869 4.776 71 HE2 PHE 8 2HE PHE 8 4.316 -2.903 4.290 72 HZ PHE 8 HZ PHE 8 5.373 -4.734 5.641 73 H LEU 9 H LEU 9 5.468 -3.401 -2.352 74 HA LEU 9 HA LEU 9 6.900 -1.216 -3.670 75 1HB LEU 9 1HB LEU 9 5.523 -2.966 -4.913 76 2HB LEU 9 2HB LEU 9 4.083 -2.263 -4.183 77 HG LEU 9 HG LEU 9 4.713 -0.050 -5.264 78 1HD1 LEU 9 1HD1 LEU 9 7.102 -0.388 -5.618 79 2HD1 LEU 9 2HD1 LEU 9 6.791 -1.774 -6.689 80 3HD1 LEU 9 3HD1 LEU 9 6.328 -0.139 -7.161 81 1HD2 LEU 9 1HD2 LEU 9 4.304 -2.427 -7.103 82 2HD2 LEU 9 2HD2 LEU 9 3.040 -1.493 -6.260 83 3HD2 LEU 9 3HD2 LEU 9 4.014 -0.718 -7.508 84 H VAL 10 H VAL 10 6.455 0.974 -3.458 85 HA VAL 10 HA VAL 10 3.993 1.762 -1.975 86 HB VAL 10 HB VAL 10 6.666 3.178 -1.713 87 1HG1 VAL 10 1HG1 VAL 10 5.607 4.164 0.275 88 2HG1 VAL 10 2HG1 VAL 10 4.542 4.399 -1.122 89 3HG1 VAL 10 3HG1 VAL 10 4.179 3.145 0.061 90 1HG2 VAL 10 1HG2 VAL 10 5.553 0.966 0.076 91 2HG2 VAL 10 2HG2 VAL 10 7.131 1.010 -0.742 92 3HG2 VAL 10 3HG2 VAL 10 6.798 2.112 0.597 93 H VAL 11 H VAL 11 2.716 2.986 -3.308 94 HA VAL 11 HA VAL 11 4.016 4.699 -5.372 95 HB VAL 11 HB VAL 11 1.419 3.239 -5.950 96 1HG1 VAL 11 1HG1 VAL 11 2.031 5.143 -7.406 97 2HG1 VAL 11 2HG1 VAL 11 3.598 4.382 -7.743 98 3HG1 VAL 11 3HG1 VAL 11 2.101 3.598 -8.265 99 1HG2 VAL 11 1HG2 VAL 11 2.829 1.591 -7.234 100 2HG2 VAL 11 2HG2 VAL 11 4.247 2.201 -6.378 101 3HG2 VAL 11 3HG2 VAL 11 2.910 1.416 -5.490 102 H ASP 12 H ASP 12 3.833 6.092 -3.449 103 HA ASP 12 HA ASP 12 1.128 7.078 -2.829 104 1HB ASP 12 1HB ASP 12 3.773 7.939 -1.639 105 2HB ASP 12 2HB ASP 12 2.164 8.434 -1.139 106 H ASP 13 H ASP 13 0.358 8.525 -4.321 107 HA ASP 13 HA ASP 13 1.628 9.934 -6.288 108 1HB ASP 13 1HB ASP 13 -0.747 9.911 -6.244 109 2HB ASP 13 2HB ASP 13 -0.797 10.646 -4.635 110 H PHE 14 H PHE 14 1.005 11.184 -2.994 111 HA PHE 14 HA PHE 14 2.012 13.765 -3.421 112 1HB PHE 14 1HB PHE 14 0.678 13.181 -1.473 113 2HB PHE 14 2HB PHE 14 1.960 12.124 -0.889 114 HD1 PHE 14 1HD PHE 14 2.981 13.029 1.059 115 HD2 PHE 14 2HD PHE 14 1.923 15.674 -2.187 116 HE1 PHE 14 1HE PHE 14 4.052 14.938 2.241 117 HE2 PHE 14 2HE PHE 14 3.030 17.537 -1.008 118 HZ PHE 14 HZ PHE 14 4.032 17.194 1.223 119 H SER 15 H SER 15 3.874 10.882 -3.430 120 HA SER 15 HA SER 15 6.027 10.499 -3.760 121 1HB SER 15 1HB SER 15 5.733 12.682 -5.099 122 2HB SER 15 2HB SER 15 6.605 13.476 -3.784 123 HG SER 15 HG SER 15 7.469 11.619 -5.694 124 H THR 16 H THR 16 6.128 13.388 -1.606 125 HA THR 16 HA THR 16 8.098 12.372 0.145 126 HB THR 16 HB THR 16 5.929 14.462 0.433 127 HG1 THR 16 1HG THR 16 7.310 15.139 -0.997 128 1HG2 THR 16 1HG2 THR 16 8.247 13.863 2.310 129 2HG2 THR 16 2HG2 THR 16 7.380 15.412 2.252 130 3HG2 THR 16 3HG2 THR 16 6.511 13.946 2.706 131 H MET 17 H MET 17 4.598 11.587 0.031 132 HA MET 17 HA MET 17 4.460 10.391 2.603 133 1HB MET 17 1HB MET 17 2.889 10.385 0.087 134 2HB MET 17 2HB MET 17 2.782 8.916 1.029 135 1HG MET 17 1HG MET 17 1.774 9.867 2.830 136 2HG MET 17 2HG MET 17 2.527 11.430 2.576 137 1HE MET 17 1HE MET 17 0.366 9.207 0.095 138 2HE MET 17 2HE MET 17 -0.489 9.105 1.646 139 3HE MET 17 3HE MET 17 -1.218 9.975 0.279 140 H ARG 18 H ARG 18 5.673 8.922 -0.645 141 HA ARG 18 HA ARG 18 5.934 6.473 0.752 142 1HB ARG 18 1HB ARG 18 6.967 5.629 -1.190 143 2HB ARG 18 2HB ARG 18 5.500 6.523 -1.558 144 1HG ARG 18 1HG ARG 18 7.113 6.702 -3.305 145 2HG ARG 18 2HG ARG 18 6.743 8.272 -2.639 146 1HD ARG 18 1HD ARG 18 8.920 8.337 -1.490 147 2HD ARG 18 2HD ARG 18 9.212 6.632 -1.884 148 HE ARG 18 HE ARG 18 9.834 7.187 -4.007 149 1HH1 ARG 18 2HH2 ARG 18 8.575 10.105 -2.469 150 2HH1 ARG 18 1HH2 ARG 18 8.846 11.112 -3.841 151 1HH2 ARG 18 2HH1 ARG 18 9.904 8.432 -5.914 152 2HH2 ARG 18 1HH1 ARG 18 9.357 10.063 -5.932 153 H ARG 19 H ARG 19 7.895 9.289 0.704 154 HA ARG 19 HA ARG 19 10.413 7.993 1.472 155 1HB ARG 19 1HB ARG 19 9.518 10.827 2.142 156 2HB ARG 19 2HB ARG 19 11.144 10.185 2.189 157 1HG ARG 19 1HG ARG 19 9.500 10.577 -0.350 158 2HG ARG 19 2HG ARG 19 10.703 11.686 0.299 159 1HD ARG 19 1HD ARG 19 12.360 9.700 0.156 160 2HD ARG 19 2HD ARG 19 11.164 8.942 -0.914 161 HE ARG 19 HE ARG 19 11.382 11.458 -1.941 162 1HH1 ARG 19 2HH2 ARG 19 13.807 8.844 -1.528 163 2HH1 ARG 19 1HH2 ARG 19 15.124 9.861 -2.018 164 1HH2 ARG 19 2HH1 ARG 19 13.089 12.584 -2.956 165 2HH2 ARG 19 1HH1 ARG 19 14.602 11.763 -3.267 166 H ILE 20 H ILE 20 7.740 9.661 3.177 167 HA ILE 20 HA ILE 20 8.507 9.080 5.830 168 HB ILE 20 HB ILE 20 5.988 9.905 4.424 169 1HG1 ILE 20 1HG1 ILE 20 5.986 11.621 6.241 170 2HG1 ILE 20 2HG1 ILE 20 7.429 10.884 6.924 171 1HG2 ILE 20 1HG2 ILE 20 5.965 8.800 7.246 172 2HG2 ILE 20 2HG2 ILE 20 4.664 9.781 6.521 173 3HG2 ILE 20 3HG2 ILE 20 5.031 8.202 5.852 174 1HD1 ILE 20 1HD1 ILE 20 8.666 11.496 4.813 175 2HD1 ILE 20 2HD1 ILE 20 7.166 12.256 4.222 176 3HD1 ILE 20 3HD1 ILE 20 7.975 12.893 5.652 177 H VAL 21 H VAL 21 6.163 7.216 3.794 178 HA VAL 21 HA VAL 21 5.735 5.214 5.658 179 HB VAL 21 HB VAL 21 5.589 5.187 2.613 180 1HG1 VAL 21 1HG1 VAL 21 5.685 2.841 3.305 181 2HG1 VAL 21 2HG1 VAL 21 4.454 3.128 4.560 182 3HG1 VAL 21 3HG1 VAL 21 4.050 3.263 2.832 183 1HG2 VAL 21 1HG2 VAL 21 3.200 5.535 2.964 184 2HG2 VAL 21 2HG2 VAL 21 3.397 5.429 4.731 185 3HG2 VAL 21 3HG2 VAL 21 4.069 6.796 3.817 186 H ARG 22 H ARG 22 8.305 5.103 2.969 187 HA ARG 22 HA ARG 22 9.191 2.500 3.622 188 1HB ARG 22 1HB ARG 22 10.300 4.988 2.301 189 2HB ARG 22 2HB ARG 22 11.320 3.607 2.570 190 1HG ARG 22 1HG ARG 22 10.074 2.177 1.159 191 2HG ARG 22 2HG ARG 22 8.676 3.226 1.163 192 1HD ARG 22 1HD ARG 22 9.745 3.439 -0.970 193 2HD ARG 22 2HD ARG 22 9.965 4.958 -0.119 194 HE ARG 22 HE ARG 22 11.953 3.014 -0.937 195 1HH1 ARG 22 2HH2 ARG 22 11.399 5.910 1.022 196 2HH1 ARG 22 1HH2 ARG 22 13.053 6.436 0.969 197 1HH2 ARG 22 2HH1 ARG 22 14.182 3.465 -0.636 198 2HH2 ARG 22 1HH1 ARG 22 14.708 4.839 0.273 199 H ASN 23 H ASN 23 10.205 5.770 4.795 200 HA ASN 23 HA ASN 23 12.296 4.828 6.438 201 1HB ASN 23 1HB ASN 23 11.964 7.217 5.972 202 2HB ASN 23 2HB ASN 23 10.459 7.222 6.892 203 1HD2 ASN 23 1HD2 ASN 23 10.601 7.528 9.143 204 2HD2 ASN 23 2HD2 ASN 23 12.113 7.586 9.996 205 H LEU 24 H LEU 24 8.828 5.357 7.248 206 HA LEU 24 HA LEU 24 8.984 4.506 9.958 207 1HB LEU 24 1HB LEU 24 6.677 4.327 7.987 208 2HB LEU 24 2HB LEU 24 6.519 4.084 9.717 209 HG LEU 24 HG LEU 24 7.450 6.702 8.454 210 1HD1 LEU 24 1HD1 LEU 24 5.132 7.464 8.993 211 2HD1 LEU 24 2HD1 LEU 24 5.217 6.216 7.746 212 3HD1 LEU 24 3HD1 LEU 24 4.715 5.770 9.377 213 1HD2 LEU 24 1HD2 LEU 24 6.929 7.686 10.664 214 2HD2 LEU 24 2HD2 LEU 24 6.774 6.045 11.317 215 3HD2 LEU 24 3HD2 LEU 24 8.312 6.592 10.663 216 H LEU 25 H LEU 25 8.420 2.587 6.984 217 HA LEU 25 HA LEU 25 7.995 0.071 8.264 218 1HB LEU 25 1HB LEU 25 8.946 0.981 5.546 219 2HB LEU 25 2HB LEU 25 9.126 -0.710 5.955 220 HG LEU 25 HG LEU 25 6.455 0.682 6.337 221 1HD1 LEU 25 1HD1 LEU 25 7.118 1.079 4.003 222 2HD1 LEU 25 2HD1 LEU 25 7.409 -0.663 3.780 223 3HD1 LEU 25 3HD1 LEU 25 5.770 -0.060 4.113 224 1HD2 LEU 25 1HD2 LEU 25 6.747 -1.588 7.350 225 2HD2 LEU 25 2HD2 LEU 25 5.573 -1.611 6.028 226 3HD2 LEU 25 3HD2 LEU 25 7.205 -2.227 5.760 227 H LYS 26 H LYS 26 11.046 1.678 7.194 228 HA LYS 26 HA LYS 26 12.731 -0.432 8.209 229 1HB LYS 26 1HB LYS 26 13.216 2.473 7.472 230 2HB LYS 26 2HB LYS 26 14.499 1.470 8.138 231 1HG LYS 26 1HG LYS 26 12.932 0.594 5.684 232 2HG LYS 26 2HG LYS 26 14.319 1.685 5.570 233 1HD LYS 26 1HD LYS 26 15.816 0.043 6.561 234 2HD LYS 26 2HD LYS 26 14.468 -1.026 6.946 235 1HE LYS 26 1HE LYS 26 15.517 -1.932 5.031 236 2HE LYS 26 2HE LYS 26 13.962 -1.265 4.517 237 1HZ LYS 26 1HZ LYS 26 15.136 0.601 3.548 238 2HZ LYS 26 2HZ LYS 26 16.573 0.108 4.212 239 3HZ LYS 26 3HZ LYS 26 15.884 -0.780 3.042 240 H GLU 27 H GLU 27 11.431 2.550 9.767 241 HA GLU 27 HA GLU 27 12.934 2.340 12.169 242 1HB GLU 27 1HB GLU 27 10.023 3.218 11.904 243 2HB GLU 27 2HB GLU 27 11.046 3.505 13.295 244 1HG GLU 27 1HG GLU 27 11.562 4.686 10.545 245 2HG GLU 27 2HG GLU 27 10.671 5.468 11.825 246 H LEU 28 H LEU 28 9.919 0.716 11.183 247 HA LEU 28 HA LEU 28 9.576 -0.645 13.721 248 1HB LEU 28 1HB LEU 28 8.341 -1.031 10.980 249 2HB LEU 28 2HB LEU 28 7.920 -2.034 12.374 250 HG LEU 28 HG LEU 28 7.688 1.008 12.375 251 1HD1 LEU 28 1HD1 LEU 28 6.235 0.149 10.683 252 2HD1 LEU 28 2HD1 LEU 28 5.597 -1.112 11.775 253 3HD1 LEU 28 3HD1 LEU 28 5.256 0.604 12.088 254 1HD2 LEU 28 1HD2 LEU 28 6.132 0.567 14.305 255 2HD2 LEU 28 2HD2 LEU 28 6.639 -1.137 14.267 256 3HD2 LEU 28 3HD2 LEU 28 7.809 0.144 14.639 257 H GLY 29 H GLY 29 10.660 -1.784 10.484 258 1HA GLY 29 1HA GLY 29 12.815 -3.185 10.739 259 2HA GLY 29 2HA GLY 29 11.816 -4.208 11.787 260 H PHE 30 H PHE 30 11.581 -2.632 8.535 261 HA PHE 30 HA PHE 30 10.913 -5.235 7.370 262 1HB PHE 30 1HB PHE 30 9.289 -2.709 6.969 263 2HB PHE 30 2HB PHE 30 9.146 -4.153 5.973 264 HD1 PHE 30 1HD PHE 30 8.308 -2.611 9.189 265 HD2 PHE 30 2HD PHE 30 8.304 -6.300 6.965 266 HE1 PHE 30 1HE PHE 30 6.810 -3.636 10.888 267 HE2 PHE 30 2HE PHE 30 6.790 -7.316 8.651 268 HZ PHE 30 HZ PHE 30 6.084 -5.996 10.642 269 H ASN 31 H ASN 31 11.291 -5.229 4.995 270 HA ASN 31 HA ASN 31 13.245 -3.219 4.121 271 1HB ASN 31 1HB ASN 31 15.042 -4.618 4.020 272 2HB ASN 31 2HB ASN 31 14.312 -5.158 5.515 273 1HD2 ASN 31 1HD2 ASN 31 16.202 -6.721 4.125 274 2HD2 ASN 31 2HD2 ASN 31 15.426 -7.955 3.162 275 H ASN 32 H ASN 32 14.196 -4.174 1.923 276 HA ASN 32 HA ASN 32 13.887 -4.379 -0.254 277 1HB ASN 32 1HB ASN 32 13.593 -6.787 0.598 278 2HB ASN 32 2HB ASN 32 11.873 -6.570 0.253 279 1HD2 ASN 32 1HD2 ASN 32 11.934 -8.191 -1.507 280 2HD2 ASN 32 2HD2 ASN 32 12.859 -7.924 -2.951 281 H VAL 33 H VAL 33 12.626 -2.216 0.580 282 HA VAL 33 HA VAL 33 9.853 -2.178 -0.366 283 HB VAL 33 HB VAL 33 10.108 0.314 -0.133 284 1HG1 VAL 33 1HG1 VAL 33 9.081 -0.802 1.693 285 2HG1 VAL 33 2HG1 VAL 33 10.607 -1.503 2.263 286 3HG1 VAL 33 3HG1 VAL 33 10.293 0.234 2.426 287 1HG2 VAL 33 1HG2 VAL 33 12.769 -0.372 1.175 288 2HG2 VAL 33 2HG2 VAL 33 12.596 0.386 -0.428 289 3HG2 VAL 33 3HG2 VAL 33 12.053 1.226 1.031 290 H GLU 34 H GLU 34 9.199 -0.791 -2.197 291 HA GLU 34 HA GLU 34 11.160 -0.314 -4.322 292 1HB GLU 34 1HB GLU 34 9.030 -2.422 -4.324 293 2HB GLU 34 2HB GLU 34 9.134 -1.444 -5.787 294 1HG GLU 34 1HG GLU 34 11.509 -2.856 -4.573 295 2HG GLU 34 2HG GLU 34 10.477 -3.526 -5.828 296 H GLU 35 H GLU 35 9.851 0.714 -6.211 297 HA GLU 35 HA GLU 35 7.731 2.519 -5.219 298 1HB GLU 35 1HB GLU 35 9.965 3.551 -4.756 299 2HB GLU 35 2HB GLU 35 10.377 3.383 -6.463 300 1HG GLU 35 1HG GLU 35 8.454 4.908 -7.014 301 2HG GLU 35 2HG GLU 35 8.162 5.098 -5.273 302 H ALA 36 H ALA 36 6.427 3.238 -7.006 303 HA ALA 36 HA ALA 36 7.254 2.345 -9.707 304 1HB ALA 36 1HB ALA 36 5.158 1.578 -10.288 305 2HB ALA 36 2HB ALA 36 5.206 1.020 -8.616 306 3HB ALA 36 3HB ALA 36 4.325 2.493 -9.021 307 H GLU 37 H GLU 37 6.424 3.806 -11.350 308 HA GLU 37 HA GLU 37 6.513 6.579 -10.604 309 1HB GLU 37 1HB GLU 37 5.390 5.210 -13.095 310 2HB GLU 37 2HB GLU 37 5.510 6.948 -12.856 311 1HG GLU 37 1HG GLU 37 8.100 6.057 -12.268 312 2HG GLU 37 2HG GLU 37 7.604 4.984 -13.574 313 H ASP 38 H ASP 38 3.766 4.263 -10.963 314 HA ASP 38 HA ASP 38 1.771 6.049 -9.980 315 1HB ASP 38 1HB ASP 38 2.282 7.134 -12.191 316 2HB ASP 38 2HB ASP 38 2.054 5.573 -12.984 317 H GLY 39 H GLY 39 -0.456 4.862 -10.373 318 1HA GLY 39 1HA GLY 39 -0.323 2.196 -9.570 319 2HA GLY 39 2HA GLY 39 -1.736 2.975 -10.280 320 H VAL 40 H VAL 40 -0.746 3.448 -12.905 321 HA VAL 40 HA VAL 40 -0.999 0.920 -14.194 322 HB VAL 40 HB VAL 40 0.107 3.581 -15.151 323 1HG1 VAL 40 1HG1 VAL 40 -0.190 2.775 -17.443 324 2HG1 VAL 40 2HG1 VAL 40 0.970 1.736 -16.616 325 3HG1 VAL 40 3HG1 VAL 40 -0.693 1.185 -16.845 326 1HG2 VAL 40 1HG2 VAL 40 -2.583 2.144 -15.464 327 2HG2 VAL 40 2HG2 VAL 40 -2.275 3.605 -14.515 328 3HG2 VAL 40 3HG2 VAL 40 -2.139 3.657 -16.274 329 H ASP 41 H ASP 41 1.969 2.728 -13.209 330 HA ASP 41 HA ASP 41 3.732 0.651 -14.249 331 1HB ASP 41 1HB ASP 41 4.538 2.980 -13.974 332 2HB ASP 41 2HB ASP 41 4.322 2.836 -12.238 333 H ALA 42 H ALA 42 1.934 1.264 -11.212 334 HA ALA 42 HA ALA 42 3.421 -0.405 -9.543 335 1HB ALA 42 1HB ALA 42 0.398 -0.103 -9.386 336 2HB ALA 42 2HB ALA 42 1.526 -0.420 -8.073 337 3HB ALA 42 3HB ALA 42 1.515 1.169 -8.878 338 H LEU 43 H LEU 43 0.582 -1.168 -11.602 339 HA LEU 43 HA LEU 43 0.544 -3.968 -11.109 340 1HB LEU 43 1HB LEU 43 -0.784 -2.181 -12.895 341 2HB LEU 43 2HB LEU 43 0.008 -3.357 -13.924 342 HG LEU 43 HG LEU 43 -0.996 -5.132 -12.252 343 1HD1 LEU 43 1HD1 LEU 43 -3.056 -4.500 -11.177 344 2HD1 LEU 43 2HD1 LEU 43 -1.772 -3.447 -10.592 345 3HD1 LEU 43 3HD1 LEU 43 -2.943 -2.846 -11.796 346 1HD2 LEU 43 1HD2 LEU 43 -1.650 -4.920 -14.624 347 2HD2 LEU 43 2HD2 LEU 43 -3.053 -5.258 -13.610 348 3HD2 LEU 43 3HD2 LEU 43 -2.769 -3.604 -14.211 349 H ASN 44 H ASN 44 2.463 -2.101 -13.425 350 HA ASN 44 HA ASN 44 3.787 -4.304 -14.680 351 1HB ASN 44 1HB ASN 44 3.630 -2.226 -15.837 352 2HB ASN 44 2HB ASN 44 4.435 -1.362 -14.528 353 1HD2 ASN 44 1HD2 ASN 44 6.486 -0.898 -14.913 354 2HD2 ASN 44 2HD2 ASN 44 7.578 -1.811 -15.950 355 H LYS 45 H LYS 45 4.451 -2.550 -11.664 356 HA LYS 45 HA LYS 45 7.050 -3.835 -11.214 357 1HB LYS 45 1HB LYS 45 5.143 -2.407 -9.325 358 2HB LYS 45 2HB LYS 45 6.722 -3.008 -8.874 359 1HG LYS 45 1HG LYS 45 6.437 -1.071 -11.198 360 2HG LYS 45 2HG LYS 45 6.407 -0.500 -9.537 361 1HD LYS 45 1HD LYS 45 8.577 -1.230 -9.071 362 2HD LYS 45 2HD LYS 45 8.676 -2.193 -10.560 363 1HE LYS 45 1HE LYS 45 8.477 0.850 -10.437 364 2HE LYS 45 2HE LYS 45 9.970 -0.068 -10.664 365 1HZ LYS 45 1HZ LYS 45 9.184 0.637 -12.776 366 2HZ LYS 45 2HZ LYS 45 8.958 -0.982 -12.721 367 3HZ LYS 45 3HZ LYS 45 7.688 0.070 -12.537 368 H LEU 46 H LEU 46 3.650 -4.422 -10.070 369 HA LEU 46 HA LEU 46 4.281 -6.645 -8.486 370 1HB LEU 46 1HB LEU 46 1.725 -6.547 -10.148 371 2HB LEU 46 2HB LEU 46 1.985 -7.339 -8.600 372 HG LEU 46 HG LEU 46 1.687 -4.419 -9.186 373 1HD1 LEU 46 1HD1 LEU 46 -0.322 -5.634 -9.137 374 2HD1 LEU 46 2HD1 LEU 46 0.100 -6.389 -7.586 375 3HD1 LEU 46 3HD1 LEU 46 -0.174 -4.642 -7.675 376 1HD2 LEU 46 1HD2 LEU 46 2.249 -5.522 -6.419 377 2HD2 LEU 46 2HD2 LEU 46 3.441 -4.617 -7.385 378 3HD2 LEU 46 3HD2 LEU 46 1.950 -3.837 -6.901 379 H GLN 47 H GLN 47 3.726 -6.614 -12.014 380 HA GLN 47 HA GLN 47 4.066 -9.498 -12.204 381 1HB GLN 47 1HB GLN 47 4.036 -9.214 -14.576 382 2HB GLN 47 2HB GLN 47 2.804 -8.192 -13.839 383 1HG GLN 47 1HG GLN 47 4.328 -6.248 -14.051 384 2HG GLN 47 2HG GLN 47 5.533 -7.256 -14.866 385 1HE2 GLN 47 1HE2 GLN 47 5.074 -5.335 -16.616 386 2HE2 GLN 47 2HE2 GLN 47 3.839 -5.849 -17.761 387 H ALA 48 H ALA 48 6.452 -7.574 -11.074 388 HA ALA 48 HA ALA 48 8.611 -8.949 -12.579 389 1HB ALA 48 1HB ALA 48 9.965 -6.998 -12.166 390 2HB ALA 48 2HB ALA 48 8.475 -6.520 -13.008 391 3HB ALA 48 3HB ALA 48 8.660 -6.211 -11.264 392 H GLY 49 H GLY 49 7.289 -10.233 -10.434 393 1HA GLY 49 1HA GLY 49 8.954 -11.764 -9.438 394 2HA GLY 49 2HA GLY 49 9.570 -10.398 -8.496 395 H GLY 50 H GLY 50 9.092 -12.016 -6.744 396 1HA GLY 50 1HA GLY 50 6.311 -12.365 -5.908 397 2HA GLY 50 2HA GLY 50 7.779 -12.803 -5.014 398 H TYR 51 H TYR 51 6.002 -9.945 -6.225 399 HA TYR 51 HA TYR 51 6.828 -8.221 -4.006 400 1HB TYR 51 1HB TYR 51 4.722 -8.070 -6.189 401 2HB TYR 51 2HB TYR 51 4.683 -6.976 -4.815 402 HD1 TYR 51 1HD TYR 51 6.134 -5.121 -4.622 403 HD2 TYR 51 2HD TYR 51 6.852 -8.060 -7.699 404 HE1 TYR 51 1HE TYR 51 7.747 -3.596 -5.716 405 HE2 TYR 51 2HE TYR 51 8.509 -6.554 -8.746 406 HH TYR 51 HH TYR 51 9.453 -4.373 -8.776 407 H GLY 52 H GLY 52 5.611 -7.854 -2.103 408 1HA GLY 52 1HA GLY 52 3.382 -9.780 -1.588 409 2HA GLY 52 2HA GLY 52 4.774 -9.728 -0.545 410 H PHE 53 H PHE 53 4.317 -6.519 -1.593 411 HA PHE 53 HA PHE 53 1.994 -5.927 0.047 412 1HB PHE 53 1HB PHE 53 4.550 -5.765 1.218 413 2HB PHE 53 2HB PHE 53 4.256 -4.138 0.642 414 HD1 PHE 53 1HD PHE 53 3.612 -6.460 3.274 415 HD2 PHE 53 2HD PHE 53 1.993 -3.033 1.241 416 HE1 PHE 53 1HE PHE 53 2.398 -5.840 5.316 417 HE2 PHE 53 2HE PHE 53 0.724 -2.428 3.278 418 HZ PHE 53 HZ PHE 53 0.975 -3.761 5.347 419 H VAL 54 H VAL 54 0.940 -4.141 -0.748 420 HA VAL 54 HA VAL 54 2.263 -2.536 -2.888 421 HB VAL 54 HB VAL 54 -0.578 -3.597 -3.089 422 1HG1 VAL 54 1HG1 VAL 54 -0.073 -1.874 -4.743 423 2HG1 VAL 54 2HG1 VAL 54 1.470 -2.683 -5.138 424 3HG1 VAL 54 3HG1 VAL 54 -0.056 -3.436 -5.571 425 1HG2 VAL 54 1HG2 VAL 54 0.143 -5.366 -4.512 426 2HG2 VAL 54 2HG2 VAL 54 1.865 -5.016 -4.165 427 3HG2 VAL 54 3HG2 VAL 54 0.769 -5.590 -2.888 428 H ILE 55 H ILE 55 2.522 -0.845 -1.279 429 HA ILE 55 HA ILE 55 0.048 0.203 -0.008 430 HB ILE 55 HB ILE 55 3.026 0.878 0.194 431 1HG1 ILE 55 1HG1 ILE 55 1.172 0.476 2.565 432 2HG1 ILE 55 2HG1 ILE 55 1.514 -0.943 1.595 433 1HG2 ILE 55 1HG2 ILE 55 1.869 3.038 0.231 434 2HG2 ILE 55 2HG2 ILE 55 0.572 2.376 1.226 435 3HG2 ILE 55 3HG2 ILE 55 2.183 2.609 1.916 436 1HD1 ILE 55 1HD1 ILE 55 3.953 -0.583 1.889 437 2HD1 ILE 55 2HD1 ILE 55 3.604 0.774 2.980 438 3HD1 ILE 55 3HD1 ILE 55 3.100 -0.868 3.415 439 H SER 56 H SER 56 -0.923 2.174 -0.813 440 HA SER 56 HA SER 56 0.545 3.725 -2.775 441 1HB SER 56 1HB SER 56 -1.561 3.549 -4.388 442 2HB SER 56 2HB SER 56 -0.234 2.387 -4.479 443 HG SER 56 HG SER 56 -1.526 1.120 -2.944 444 H ASP 57 H ASP 57 -0.496 5.720 -3.291 445 HA ASP 57 HA ASP 57 -2.396 6.689 -1.218 446 1HB ASP 57 1HB ASP 57 -0.613 8.249 -1.977 447 2HB ASP 57 2HB ASP 57 -1.243 8.133 -3.630 448 H TRP 58 H TRP 58 -4.335 7.919 -2.143 449 HA TRP 58 HA TRP 58 -5.835 6.214 -4.015 450 1HB TRP 58 1HB TRP 58 -6.771 7.289 -1.892 451 2HB TRP 58 2HB TRP 58 -6.689 8.838 -2.721 452 HD1 TRP 58 HD TRP 58 -8.017 8.575 -5.373 453 HE1 TRP 58 1HE TRP 58 -10.085 7.329 -5.956 454 HE3 TRP 58 3HE TRP 58 -8.393 5.637 -1.237 455 HZ2 TRP 58 2HZ TRP 58 -12.142 5.762 -4.516 456 HZ3 TRP 58 3HZ TRP 58 -10.489 4.260 -0.870 457 HH2 TRP 58 HH TRP 58 -12.271 4.307 -2.483 458 H ASN 59 H ASN 59 -4.459 9.568 -3.874 459 HA ASN 59 HA ASN 59 -6.083 10.473 -6.083 460 1HB ASN 59 1HB ASN 59 -5.595 11.928 -4.183 461 2HB ASN 59 2HB ASN 59 -3.856 11.753 -4.441 462 1HD2 ASN 59 1HD2 ASN 59 -2.828 13.334 -5.688 463 2HD2 ASN 59 2HD2 ASN 59 -3.724 14.477 -6.682 464 H MET 60 H MET 60 -5.279 8.887 -7.811 465 HA MET 60 HA MET 60 -2.954 10.209 -9.074 466 1HB MET 60 1HB MET 60 -1.960 8.135 -9.723 467 2HB MET 60 2HB MET 60 -2.033 8.299 -7.969 468 1HG MET 60 1HG MET 60 -4.010 6.736 -7.987 469 2HG MET 60 2HG MET 60 -3.771 6.577 -9.738 470 1HE MET 60 1HE MET 60 -1.038 4.857 -6.414 471 2HE MET 60 2HE MET 60 -1.541 6.561 -6.443 472 3HE MET 60 3HE MET 60 -2.752 5.276 -6.238 473 HA PRO 61 HA PRO 61 -5.531 9.980 -12.677 474 1HB PRO 61 1HB PRO 61 -3.732 10.337 -14.681 475 2HB PRO 61 2HB PRO 61 -4.037 11.615 -13.473 476 1HG PRO 61 1HG PRO 61 -1.812 9.540 -13.435 477 2HG PRO 61 2HG PRO 61 -1.649 11.321 -13.307 478 1HD PRO 61 1HD PRO 61 -1.751 9.723 -11.121 479 2HD PRO 61 2HD PRO 61 -2.517 11.336 -11.121 480 H ASN 62 H ASN 62 -5.253 8.744 -14.963 481 HA ASN 62 HA ASN 62 -5.312 6.861 -16.096 482 1HB ASN 62 1HB ASN 62 -2.837 5.956 -14.604 483 2HB ASN 62 2HB ASN 62 -3.418 5.446 -16.197 484 1HD2 ASN 62 1HD2 ASN 62 -1.135 7.309 -14.691 485 2HD2 ASN 62 2HD2 ASN 62 -0.805 8.439 -15.986 486 H MET 63 H MET 63 -3.947 4.857 -13.547 487 HA MET 63 HA MET 63 -6.623 3.733 -12.973 488 1HB MET 63 1HB MET 63 -4.252 2.393 -13.639 489 2HB MET 63 2HB MET 63 -4.265 2.296 -11.885 490 1HG MET 63 1HG MET 63 -5.469 0.395 -12.626 491 2HG MET 63 2HG MET 63 -6.714 1.523 -12.103 492 1HE MET 63 1HE MET 63 -8.457 -0.294 -15.130 493 2HE MET 63 2HE MET 63 -7.444 -0.955 -13.831 494 3HE MET 63 3HE MET 63 -8.670 0.276 -13.466 495 H ASP 64 H ASP 64 -7.355 5.307 -11.549 496 HA ASP 64 HA ASP 64 -5.964 6.504 -9.379 497 1HB ASP 64 1HB ASP 64 -7.928 7.540 -9.791 498 2HB ASP 64 2HB ASP 64 -8.768 6.085 -10.214 499 H GLY 65 H GLY 65 -6.028 5.951 -7.046 500 1HA GLY 65 1HA GLY 65 -4.792 3.490 -6.734 501 2HA GLY 65 2HA GLY 65 -5.397 4.489 -5.414 502 H LEU 66 H LEU 66 -8.271 4.172 -6.416 503 HA LEU 66 HA LEU 66 -8.819 1.732 -4.925 504 1HB LEU 66 1HB LEU 66 -10.162 3.893 -4.949 505 2HB LEU 66 2HB LEU 66 -10.780 3.450 -6.526 506 HG LEU 66 HG LEU 66 -12.252 3.063 -4.558 507 1HD1 LEU 66 1HD1 LEU 66 -11.720 0.470 -5.995 508 2HD1 LEU 66 2HD1 LEU 66 -13.223 0.992 -5.212 509 3HD1 LEU 66 3HD1 LEU 66 -12.650 1.823 -6.672 510 1HD2 LEU 66 1HD2 LEU 66 -11.925 1.178 -3.108 511 2HD2 LEU 66 2HD2 LEU 66 -10.473 0.691 -3.972 512 3HD2 LEU 66 3HD2 LEU 66 -10.472 2.199 -3.015 513 H GLU 67 H GLU 67 -8.789 2.811 -8.291 514 HA GLU 67 HA GLU 67 -9.929 0.408 -9.438 515 1HB GLU 67 1HB GLU 67 -8.111 2.502 -10.704 516 2HB GLU 67 2HB GLU 67 -9.049 1.288 -11.557 517 1HG GLU 67 1HG GLU 67 -10.266 3.503 -9.853 518 2HG GLU 67 2HG GLU 67 -9.985 3.590 -11.587 519 H LEU 68 H LEU 68 -6.616 1.576 -8.709 520 HA LEU 68 HA LEU 68 -5.181 -0.633 -9.792 521 1HB LEU 68 1HB LEU 68 -4.028 1.386 -9.069 522 2HB LEU 68 2HB LEU 68 -4.578 1.157 -7.413 523 HG LEU 68 HG LEU 68 -3.237 -0.943 -7.238 524 1HD1 LEU 68 1HD1 LEU 68 -3.092 -1.616 -9.600 525 2HD1 LEU 68 2HD1 LEU 68 -2.188 -0.134 -9.984 526 3HD1 LEU 68 3HD1 LEU 68 -1.474 -1.385 -8.952 527 1HD2 LEU 68 1HD2 LEU 68 -2.354 1.136 -6.393 528 2HD2 LEU 68 2HD2 LEU 68 -1.043 0.199 -7.117 529 3HD2 LEU 68 3HD2 LEU 68 -1.743 1.589 -7.987 530 H LEU 69 H LEU 69 -6.466 -0.139 -6.464 531 HA LEU 69 HA LEU 69 -5.917 -2.706 -5.419 532 1HB LEU 69 1HB LEU 69 -6.662 -1.380 -3.770 533 2HB LEU 69 2HB LEU 69 -7.764 -0.486 -4.796 534 HG LEU 69 HG LEU 69 -9.527 -2.001 -4.525 535 1HD1 LEU 69 1HD1 LEU 69 -8.053 -4.221 -4.197 536 2HD1 LEU 69 2HD1 LEU 69 -8.166 -3.781 -2.501 537 3HD1 LEU 69 3HD1 LEU 69 -9.631 -4.041 -3.433 538 1HD2 LEU 69 1HD2 LEU 69 -9.202 -0.394 -2.658 539 2HD2 LEU 69 2HD2 LEU 69 -9.770 -1.925 -1.982 540 3HD2 LEU 69 3HD2 LEU 69 -8.063 -1.491 -1.898 541 H LYS 70 H LYS 70 -8.911 -1.649 -7.151 542 HA LYS 70 HA LYS 70 -10.000 -4.298 -7.042 543 1HB LYS 70 1HB LYS 70 -10.665 -1.870 -8.757 544 2HB LYS 70 2HB LYS 70 -11.550 -3.407 -8.847 545 1HG LYS 70 1HG LYS 70 -11.928 -3.321 -6.385 546 2HG LYS 70 2HG LYS 70 -11.202 -1.720 -6.330 547 1HD LYS 70 1HD LYS 70 -12.988 -0.711 -7.453 548 2HD LYS 70 2HD LYS 70 -13.430 -2.168 -8.318 549 1HE LYS 70 1HE LYS 70 -13.790 -1.986 -5.333 550 2HE LYS 70 2HE LYS 70 -15.007 -1.397 -6.460 551 1HZ LYS 70 1HZ LYS 70 -15.488 -3.691 -5.909 552 2HZ LYS 70 2HZ LYS 70 -14.975 -3.654 -7.474 553 3HZ LYS 70 3HZ LYS 70 -13.980 -4.177 -6.288 554 H THR 71 H THR 71 -7.811 -2.884 -9.407 555 HA THR 71 HA THR 71 -8.046 -4.910 -11.413 556 HB THR 71 HB THR 71 -5.612 -3.271 -10.605 557 HG1 THR 71 1HG THR 71 -7.386 -1.959 -11.122 558 1HG2 THR 71 1HG2 THR 71 -6.344 -4.649 -13.223 559 2HG2 THR 71 2HG2 THR 71 -4.954 -3.573 -12.959 560 3HG2 THR 71 3HG2 THR 71 -5.044 -5.126 -12.113 561 H ILE 72 H ILE 72 -5.747 -4.519 -8.671 562 HA ILE 72 HA ILE 72 -4.432 -6.988 -8.900 563 HB ILE 72 HB ILE 72 -4.921 -4.975 -6.656 564 1HG1 ILE 72 1HG1 ILE 72 -2.294 -5.782 -7.967 565 2HG1 ILE 72 2HG1 ILE 72 -3.334 -4.618 -8.754 566 1HG2 ILE 72 1HG2 ILE 72 -4.548 -7.102 -5.466 567 2HG2 ILE 72 2HG2 ILE 72 -3.176 -7.460 -6.527 568 3HG2 ILE 72 3HG2 ILE 72 -3.076 -6.142 -5.368 569 1HD1 ILE 72 1HD1 ILE 72 -3.346 -3.245 -6.582 570 2HD1 ILE 72 2HD1 ILE 72 -2.025 -4.294 -6.037 571 3HD1 ILE 72 3HD1 ILE 72 -1.830 -3.281 -7.477 572 H ARG 73 H ARG 73 -7.326 -6.099 -7.060 573 HA ARG 73 HA ARG 73 -7.524 -8.322 -5.400 574 1HB ARG 73 1HB ARG 73 -8.748 -6.000 -5.503 575 2HB ARG 73 2HB ARG 73 -9.990 -6.848 -6.390 576 1HG ARG 73 1HG ARG 73 -8.993 -7.687 -3.616 577 2HG ARG 73 2HG ARG 73 -10.192 -6.430 -3.872 578 1HD ARG 73 1HD ARG 73 -11.411 -8.353 -5.293 579 2HD ARG 73 2HD ARG 73 -10.469 -9.386 -4.202 580 HE ARG 73 HE ARG 73 -11.848 -7.247 -2.817 581 1HH1 ARG 73 2HH2 ARG 73 -12.253 -10.499 -4.118 582 2HH1 ARG 73 1HH2 ARG 73 -13.795 -10.811 -3.411 583 1HH2 ARG 73 2HH1 ARG 73 -13.740 -7.732 -1.541 584 2HH2 ARG 73 1HH1 ARG 73 -14.620 -9.186 -1.820 585 H ALA 74 H ALA 74 -8.032 -8.441 -8.790 586 HA ALA 74 HA ALA 74 -10.238 -10.309 -8.820 587 1HB ALA 74 1HB ALA 74 -9.536 -10.615 -11.221 588 2HB ALA 74 2HB ALA 74 -9.890 -8.945 -10.751 589 3HB ALA 74 3HB ALA 74 -8.202 -9.474 -10.916 590 H ASP 75 H ASP 75 -6.919 -11.023 -10.073 591 HA ASP 75 HA ASP 75 -6.412 -13.298 -8.517 592 1HB ASP 75 1HB ASP 75 -6.918 -15.134 -9.988 593 2HB ASP 75 2HB ASP 75 -8.400 -14.295 -9.629 594 H GLY 76 H GLY 76 -5.043 -14.822 -10.656 595 1HA GLY 76 1HA GLY 76 -2.940 -14.733 -11.662 596 2HA GLY 76 2HA GLY 76 -2.957 -12.965 -11.588 597 H ALA 77 H ALA 77 -3.705 -15.061 -8.856 598 HA ALA 77 HA ALA 77 -3.124 -15.166 -6.760 599 1HB ALA 77 1HB ALA 77 -0.808 -15.372 -6.095 600 2HB ALA 77 2HB ALA 77 -1.109 -16.296 -7.582 601 3HB ALA 77 3HB ALA 77 -0.265 -14.728 -7.651 602 H MET 78 H MET 78 -2.295 -12.223 -8.412 603 HA MET 78 HA MET 78 -1.340 -10.745 -6.286 604 1HB MET 78 1HB MET 78 -3.061 -9.467 -8.436 605 2HB MET 78 2HB MET 78 -1.685 -8.791 -7.564 606 1HG MET 78 1HG MET 78 -0.345 -10.771 -8.692 607 2HG MET 78 2HG MET 78 -1.709 -10.793 -9.814 608 1HE MET 78 1HE MET 78 -0.317 -10.359 -11.940 609 2HE MET 78 2HE MET 78 0.974 -9.144 -12.061 610 3HE MET 78 3HE MET 78 1.141 -10.512 -10.939 611 H SER 79 H SER 79 -4.520 -11.822 -6.685 612 HA SER 79 HA SER 79 -6.016 -9.913 -5.229 613 1HB SER 79 1HB SER 79 -7.575 -11.829 -4.846 614 2HB SER 79 2HB SER 79 -7.064 -11.636 -6.527 615 HG SER 79 HG SER 79 -6.253 -13.542 -4.621 616 H ALA 80 H ALA 80 -3.681 -12.327 -4.153 617 HA ALA 80 HA ALA 80 -4.415 -12.227 -1.344 618 1HB ALA 80 1HB ALA 80 -1.944 -13.353 -2.728 619 2HB ALA 80 2HB ALA 80 -2.503 -13.717 -1.083 620 3HB ALA 80 3HB ALA 80 -3.468 -14.231 -2.482 621 H LEU 81 H LEU 81 -2.860 -9.896 -3.266 622 HA LEU 81 HA LEU 81 -0.677 -9.270 -1.473 623 1HB LEU 81 1HB LEU 81 -2.036 -7.796 -3.758 624 2HB LEU 81 2HB LEU 81 -0.825 -7.018 -2.781 625 HG LEU 81 HG LEU 81 -0.316 -9.655 -4.216 626 1HD1 LEU 81 1HD1 LEU 81 -0.747 -7.384 -5.633 627 2HD1 LEU 81 2HD1 LEU 81 0.975 -7.169 -5.260 628 3HD1 LEU 81 3HD1 LEU 81 0.449 -8.610 -6.098 629 1HD2 LEU 81 1HD2 LEU 81 1.241 -9.307 -2.373 630 2HD2 LEU 81 2HD2 LEU 81 2.088 -8.948 -3.879 631 3HD2 LEU 81 3HD2 LEU 81 1.528 -7.628 -2.846 632 HA PRO 82 HA PRO 82 -3.205 -6.618 1.213 633 1HB PRO 82 1HB PRO 82 -1.259 -5.566 2.784 634 2HB PRO 82 2HB PRO 82 -1.877 -7.236 2.982 635 1HG PRO 82 1HG PRO 82 0.630 -6.322 1.606 636 2HG PRO 82 2HG PRO 82 0.417 -7.719 2.694 637 1HD PRO 82 1HD PRO 82 0.410 -7.868 -0.095 638 2HD PRO 82 2HD PRO 82 -0.432 -9.042 0.957 639 H VAL 83 H VAL 83 -3.740 -5.459 -0.678 640 HA VAL 83 HA VAL 83 -2.232 -3.110 -1.485 641 HB VAL 83 HB VAL 83 -4.519 -2.435 -2.431 642 1HG1 VAL 83 1HG1 VAL 83 -4.252 -4.019 -4.335 643 2HG1 VAL 83 2HG1 VAL 83 -2.737 -3.280 -3.811 644 3HG1 VAL 83 3HG1 VAL 83 -3.105 -4.961 -3.355 645 1HG2 VAL 83 1HG2 VAL 83 -6.039 -3.867 -1.160 646 2HG2 VAL 83 2HG2 VAL 83 -6.079 -4.285 -2.877 647 3HG2 VAL 83 3HG2 VAL 83 -5.230 -5.338 -1.757 648 H LEU 84 H LEU 84 -1.870 -1.497 -0.087 649 HA LEU 84 HA LEU 84 -3.787 -1.080 2.177 650 1HB LEU 84 1HB LEU 84 -1.625 -2.047 2.866 651 2HB LEU 84 2HB LEU 84 -0.776 -0.713 2.088 652 HG LEU 84 HG LEU 84 -1.576 0.877 3.676 653 1HD1 LEU 84 1HD1 LEU 84 -3.844 0.344 4.047 654 2HD1 LEU 84 2HD1 LEU 84 -3.442 -1.265 4.722 655 3HD1 LEU 84 3HD1 LEU 84 -3.051 0.232 5.608 656 1HD2 LEU 84 1HD2 LEU 84 0.295 -0.527 4.457 657 2HD2 LEU 84 2HD2 LEU 84 -0.724 -0.016 5.797 658 3HD2 LEU 84 3HD2 LEU 84 -0.857 -1.672 5.176 659 H MET 85 H MET 85 -4.895 0.788 1.946 660 HA MET 85 HA MET 85 -3.880 2.807 0.031 661 1HB MET 85 1HB MET 85 -6.345 2.637 1.769 662 2HB MET 85 2HB MET 85 -6.028 3.978 0.666 663 1HG MET 85 1HG MET 85 -6.049 1.171 -0.454 664 2HG MET 85 2HG MET 85 -7.571 1.888 0.036 665 1HE MET 85 1HE MET 85 -4.979 3.353 -3.511 666 2HE MET 85 2HE MET 85 -4.448 3.760 -1.878 667 3HE MET 85 3HE MET 85 -4.541 2.055 -2.391 668 H VAL 86 H VAL 86 -2.407 4.281 0.758 669 HA VAL 86 HA VAL 86 -2.622 5.263 3.553 670 HB VAL 86 HB VAL 86 -0.083 4.833 1.920 671 1HG1 VAL 86 1HG1 VAL 86 1.062 5.602 4.000 672 2HG1 VAL 86 2HG1 VAL 86 0.110 6.870 3.244 673 3HG1 VAL 86 3HG1 VAL 86 -0.522 6.048 4.692 674 1HG2 VAL 86 1HG2 VAL 86 -0.913 2.755 2.887 675 2HG2 VAL 86 2HG2 VAL 86 0.528 3.275 3.757 676 3HG2 VAL 86 3HG2 VAL 86 -1.087 3.501 4.486 677 H THR 87 H THR 87 -3.891 6.984 3.169 678 HA THR 87 HA THR 87 -3.039 8.868 1.068 679 HB THR 87 HB THR 87 -4.746 7.322 0.208 680 HG1 THR 87 1HG THR 87 -4.678 9.340 -0.545 681 1HG2 THR 87 1HG2 THR 87 -7.094 7.467 0.991 682 2HG2 THR 87 2HG2 THR 87 -6.025 6.688 2.163 683 3HG2 THR 87 3HG2 THR 87 -6.557 8.359 2.427 684 H ALA 88 H ALA 88 -5.035 10.651 1.402 685 HA ALA 88 HA ALA 88 -5.037 11.552 4.252 686 1HB ALA 88 1HB ALA 88 -4.784 13.298 1.769 687 2HB ALA 88 2HB ALA 88 -4.863 13.851 3.456 688 3HB ALA 88 3HB ALA 88 -3.459 12.914 2.902 689 H GLU 89 H GLU 89 -6.840 10.424 1.629 690 HA GLU 89 HA GLU 89 -8.882 12.458 1.661 691 1HB GLU 89 1HB GLU 89 -8.410 9.893 0.111 692 2HB GLU 89 2HB GLU 89 -9.804 10.953 -0.161 693 1HG GLU 89 1HG GLU 89 -6.884 11.878 -0.314 694 2HG GLU 89 2HG GLU 89 -7.835 11.376 -1.704 695 H ALA 90 H ALA 90 -9.509 12.300 3.821 696 HA ALA 90 HA ALA 90 -10.575 10.037 5.090 697 1HB ALA 90 1HB ALA 90 -11.431 12.884 5.674 698 2HB ALA 90 2HB ALA 90 -11.266 11.519 6.795 699 3HB ALA 90 3HB ALA 90 -9.819 12.286 6.100 700 H LYS 91 H LYS 91 -11.951 11.617 2.453 701 HA LYS 91 HA LYS 91 -14.607 12.047 2.956 702 1HB LYS 91 1HB LYS 91 -13.788 12.725 0.918 703 2HB LYS 91 2HB LYS 91 -13.092 11.167 0.512 704 1HG LYS 91 1HG LYS 91 -15.297 10.243 0.008 705 2HG LYS 91 2HG LYS 91 -16.094 11.697 0.628 706 1HD LYS 91 1HD LYS 91 -15.124 13.062 -1.133 707 2HD LYS 91 2HD LYS 91 -14.153 11.716 -1.741 708 1HE LYS 91 1HE LYS 91 -17.176 11.473 -1.555 709 2HE LYS 91 2HE LYS 91 -16.455 12.379 -2.879 710 1HZ LYS 91 1HZ LYS 91 -15.802 9.554 -2.312 711 2HZ LYS 91 2HZ LYS 91 -16.886 10.096 -3.429 712 3HZ LYS 91 3HZ LYS 91 -15.289 10.460 -3.589 713 H LYS 92 H LYS 92 -16.297 10.928 3.602 714 HA LYS 92 HA LYS 92 -15.989 8.344 4.609 715 1HB LYS 92 1HB LYS 92 -18.461 8.255 4.814 716 2HB LYS 92 2HB LYS 92 -17.755 9.775 5.381 717 1HG LYS 92 1HG LYS 92 -19.383 10.798 4.310 718 2HG LYS 92 2HG LYS 92 -18.516 10.467 2.819 719 1HD LYS 92 1HD LYS 92 -19.881 8.355 2.559 720 2HD LYS 92 2HD LYS 92 -20.744 8.769 4.050 721 1HE LYS 92 1HE LYS 92 -21.553 10.849 3.089 722 2HE LYS 92 2HE LYS 92 -20.597 10.620 1.631 723 1HZ LYS 92 1HZ LYS 92 -22.753 8.754 2.422 724 2HZ LYS 92 2HZ LYS 92 -23.003 10.073 1.495 725 3HZ LYS 92 3HZ LYS 92 -22.032 8.907 0.923 726 H GLU 93 H GLU 93 -17.756 9.176 1.730 727 HA GLU 93 HA GLU 93 -18.191 6.568 0.795 728 1HB GLU 93 1HB GLU 93 -18.308 9.252 -0.393 729 2HB GLU 93 2HB GLU 93 -17.900 8.010 -1.585 730 1HG GLU 93 1HG GLU 93 -19.834 6.658 -0.961 731 2HG GLU 93 2HG GLU 93 -20.200 7.722 0.398 732 H ASN 94 H ASN 94 -15.197 8.287 0.687 733 HA ASN 94 HA ASN 94 -13.801 6.619 -1.260 734 1HB ASN 94 1HB ASN 94 -13.283 9.025 0.111 735 2HB ASN 94 2HB ASN 94 -12.171 7.896 0.848 736 1HD2 ASN 94 1HD2 ASN 94 -10.240 8.421 -0.052 737 2HD2 ASN 94 2HD2 ASN 94 -9.950 8.706 -1.760 738 H ILE 95 H ILE 95 -14.078 6.795 2.333 739 HA ILE 95 HA ILE 95 -12.594 4.397 2.888 740 HB ILE 95 HB ILE 95 -14.800 5.820 4.456 741 1HG1 ILE 95 1HG1 ILE 95 -12.845 5.885 6.160 742 2HG1 ILE 95 2HG1 ILE 95 -11.799 5.433 4.819 743 1HG2 ILE 95 1HG2 ILE 95 -14.401 4.277 6.334 744 2HG2 ILE 95 2HG2 ILE 95 -15.137 3.461 4.975 745 3HG2 ILE 95 3HG2 ILE 95 -13.395 3.255 5.281 746 1HD1 ILE 95 1HD1 ILE 95 -11.930 7.911 5.309 747 2HD1 ILE 95 2HD1 ILE 95 -12.409 7.526 3.652 748 3HD1 ILE 95 3HD1 ILE 95 -13.644 7.871 4.891 749 H ILE 96 H ILE 96 -16.095 4.879 2.210 750 HA ILE 96 HA ILE 96 -16.881 2.161 2.436 751 HB ILE 96 HB ILE 96 -18.047 4.499 0.912 752 1HG1 ILE 96 1HG1 ILE 96 -20.078 3.775 2.338 753 2HG1 ILE 96 2HG1 ILE 96 -18.982 2.682 3.170 754 1HG2 ILE 96 1HG2 ILE 96 -19.063 1.653 0.682 755 2HG2 ILE 96 2HG2 ILE 96 -19.988 3.098 0.222 756 3HG2 ILE 96 3HG2 ILE 96 -18.519 2.707 -0.647 757 1HD1 ILE 96 1HD1 ILE 96 -17.646 4.626 3.930 758 2HD1 ILE 96 2HD1 ILE 96 -18.726 5.707 2.983 759 3HD1 ILE 96 3HD1 ILE 96 -19.350 4.799 4.350 760 H ALA 97 H ALA 97 -15.843 3.957 -0.527 761 HA ALA 97 HA ALA 97 -15.982 1.803 -2.286 762 1HB ALA 97 1HB ALA 97 -14.182 3.140 -3.541 763 2HB ALA 97 2HB ALA 97 -15.707 3.961 -3.182 764 3HB ALA 97 3HB ALA 97 -14.296 4.308 -2.197 765 H ALA 98 H ALA 98 -13.195 2.750 -0.187 766 HA ALA 98 HA ALA 98 -11.452 0.660 -1.033 767 1HB ALA 98 1HB ALA 98 -10.650 2.496 0.341 768 2HB ALA 98 2HB ALA 98 -11.668 1.995 1.703 769 3HB ALA 98 3HB ALA 98 -10.332 0.963 1.160 770 H ALA 99 H ALA 99 -13.951 0.644 1.564 771 HA ALA 99 HA ALA 99 -13.273 -2.024 2.440 772 1HB ALA 99 1HB ALA 99 -14.483 -0.278 3.832 773 2HB ALA 99 2HB ALA 99 -15.904 -0.489 2.800 774 3HB ALA 99 3HB ALA 99 -15.306 -1.844 3.785 775 H GLN 100 H GLN 100 -15.696 -0.697 0.227 776 HA GLN 100 HA GLN 100 -17.119 -3.027 -0.510 777 1HB GLN 100 1HB GLN 100 -16.430 -0.405 -1.884 778 2HB GLN 100 2HB GLN 100 -17.334 -1.637 -2.732 779 1HG GLN 100 1HG GLN 100 -18.255 -0.645 -0.001 780 2HG GLN 100 2HG GLN 100 -18.609 0.255 -1.478 781 1HE2 GLN 100 1HE2 GLN 100 -19.988 -2.080 0.561 782 2HE2 GLN 100 2HE2 GLN 100 -21.030 -2.790 -0.645 783 H ALA 101 H ALA 101 -14.080 -1.548 -1.926 784 HA ALA 101 HA ALA 101 -13.749 -3.608 -3.853 785 1HB ALA 101 1HB ALA 101 -11.795 -1.688 -2.532 786 2HB ALA 101 2HB ALA 101 -11.535 -2.590 -4.054 787 3HB ALA 101 3HB ALA 101 -12.753 -1.301 -3.938 788 H GLY 102 H GLY 102 -12.744 -3.237 -0.467 789 1HA GLY 102 1HA GLY 102 -12.308 -5.044 0.993 790 2HA GLY 102 2HA GLY 102 -11.859 -6.071 -0.372 791 H ALA 103 H ALA 103 -10.722 -2.706 0.341 792 HA ALA 103 HA ALA 103 -7.991 -3.374 -0.152 793 1HB ALA 103 1HB ALA 103 -7.450 -1.207 0.510 794 2HB ALA 103 2HB ALA 103 -9.139 -0.993 0.009 795 3HB ALA 103 3HB ALA 103 -8.751 -1.124 1.722 796 H SER 104 H SER 104 -6.270 -3.847 1.304 797 HA SER 104 HA SER 104 -7.054 -5.485 3.523 798 1HB SER 104 1HB SER 104 -4.718 -5.844 3.827 799 2HB SER 104 2HB SER 104 -5.068 -5.889 2.106 800 HG SER 104 HG SER 104 -4.263 -3.704 1.999 801 H GLY 105 H GLY 105 -6.426 -2.061 3.272 802 1HA GLY 105 1HA GLY 105 -7.368 -1.499 5.835 803 2HA GLY 105 2HA GLY 105 -5.592 -1.423 5.882 804 H TYR 106 H TYR 106 -6.900 0.833 6.389 805 HA TYR 106 HA TYR 106 -6.461 2.561 4.048 806 1HB TYR 106 1HB TYR 106 -8.970 1.828 4.623 807 2HB TYR 106 2HB TYR 106 -8.811 3.020 5.904 808 HD1 TYR 106 1HD TYR 106 -9.142 5.379 5.327 809 HD2 TYR 106 2HD TYR 106 -8.480 2.425 2.263 810 HE1 TYR 106 1HE TYR 106 -9.724 7.058 3.562 811 HE2 TYR 106 2HE TYR 106 -8.898 4.105 0.527 812 HH TYR 106 HH TYR 106 -9.807 6.230 0.098 813 H VAL 107 H VAL 107 -5.205 4.260 4.655 814 HA VAL 107 HA VAL 107 -5.119 5.161 7.493 815 HB VAL 107 HB VAL 107 -2.832 4.737 5.529 816 1HG1 VAL 107 1HG1 VAL 107 -1.390 5.710 7.336 817 2HG1 VAL 107 2HG1 VAL 107 -2.463 6.890 6.581 818 3HG1 VAL 107 3HG1 VAL 107 -2.865 6.228 8.182 819 1HG2 VAL 107 1HG2 VAL 107 -3.433 2.734 6.801 820 2HG2 VAL 107 2HG2 VAL 107 -1.859 3.360 7.295 821 3HG2 VAL 107 3HG2 VAL 107 -3.276 3.653 8.324 822 H VAL 108 H VAL 108 -5.276 7.380 7.667 823 HA VAL 108 HA VAL 108 -5.434 9.032 5.234 824 HB VAL 108 HB VAL 108 -7.486 8.633 7.429 825 1HG1 VAL 108 1HG1 VAL 108 -7.036 11.062 7.444 826 2HG1 VAL 108 2HG1 VAL 108 -7.391 11.128 5.705 827 3HG1 VAL 108 3HG1 VAL 108 -8.638 10.631 6.880 828 1HG2 VAL 108 1HG2 VAL 108 -7.729 9.011 4.408 829 2HG2 VAL 108 2HG2 VAL 108 -7.717 7.448 5.237 830 3HG2 VAL 108 3HG2 VAL 108 -9.033 8.591 5.526 831 H LYS 109 H LYS 109 -3.897 10.552 5.498 832 HA LYS 109 HA LYS 109 -2.245 10.887 7.692 833 1HB LYS 109 1HB LYS 109 -3.049 12.811 5.479 834 2HB LYS 109 2HB LYS 109 -1.953 13.330 6.765 835 1HG LYS 109 1HG LYS 109 -0.392 11.522 6.269 836 2HG LYS 109 2HG LYS 109 -1.487 10.885 5.031 837 1HD LYS 109 1HD LYS 109 0.377 12.054 4.042 838 2HD LYS 109 2HD LYS 109 -1.150 12.859 3.645 839 1HE LYS 109 1HE LYS 109 -0.682 14.595 5.327 840 2HE LYS 109 2HE LYS 109 0.788 13.750 5.836 841 1HZ LYS 109 1HZ LYS 109 1.774 14.192 3.747 842 2HZ LYS 109 2HZ LYS 109 0.381 14.820 3.093 843 3HZ LYS 109 3HZ LYS 109 1.140 15.613 4.284 844 HA PRO 110 HA PRO 110 -1.082 12.499 9.018 845 1HB PRO 110 1HB PRO 110 -0.828 12.655 11.751 846 2HB PRO 110 2HB PRO 110 -1.049 14.076 10.697 847 1HG PRO 110 1HG PRO 110 -3.149 12.613 12.307 848 2HG PRO 110 2HG PRO 110 -2.895 14.372 12.143 849 1HD PRO 110 1HD PRO 110 -4.765 12.978 10.703 850 2HD PRO 110 2HD PRO 110 -3.938 14.424 10.064 851 H PHE 111 H PHE 111 0.360 10.884 10.186 852 HA PHE 111 HA PHE 111 -0.649 8.510 11.379 853 1HB PHE 111 1HB PHE 111 -0.508 6.979 9.580 854 2HB PHE 111 2HB PHE 111 -1.621 8.199 9.045 855 HD1 PHE 111 1HD PHE 111 -1.296 9.132 6.862 856 HD2 PHE 111 2HD PHE 111 1.912 6.918 8.707 857 HE1 PHE 111 1HE PHE 111 -0.020 9.174 4.734 858 HE2 PHE 111 2HE PHE 111 3.178 7.002 6.605 859 HZ PHE 111 HZ PHE 111 2.229 8.153 4.608 860 H THR 112 H THR 112 1.079 7.023 11.755 861 HA THR 112 HA THR 112 3.815 7.692 10.998 862 HB THR 112 HB THR 112 4.295 7.526 13.574 863 HG1 THR 112 1HG THR 112 2.690 8.388 14.852 864 1HG2 THR 112 1HG2 THR 112 4.355 9.870 13.815 865 2HG2 THR 112 2HG2 THR 112 4.785 9.467 12.153 866 3HG2 THR 112 3HG2 THR 112 3.164 10.105 12.507 867 H ALA 113 H ALA 113 5.200 6.018 12.571 868 HA ALA 113 HA ALA 113 4.694 3.459 11.487 869 1HB ALA 113 1HB ALA 113 6.942 3.908 12.074 870 2HB ALA 113 2HB ALA 113 6.503 4.434 13.711 871 3HB ALA 113 3HB ALA 113 6.378 2.733 13.263 872 H ALA 114 H ALA 114 3.577 5.036 14.455 873 HA ALA 114 HA ALA 114 2.493 2.902 15.871 874 1HB ALA 114 1HB ALA 114 2.455 5.232 16.657 875 2HB ALA 114 2HB ALA 114 1.320 5.686 15.364 876 3HB ALA 114 3HB ALA 114 0.806 4.580 16.650 877 H THR 115 H THR 115 0.853 4.613 13.095 878 HA THR 115 HA THR 115 -1.297 2.628 13.282 879 HB THR 115 HB THR 115 -1.456 5.131 12.458 880 HG1 THR 115 1HG THR 115 -3.253 3.962 12.695 881 1HG2 THR 115 1HG2 THR 115 -1.761 5.280 10.046 882 2HG2 THR 115 2HG2 THR 115 -0.058 4.905 10.425 883 3HG2 THR 115 3HG2 THR 115 -1.151 3.645 9.812 884 H LEU 116 H LEU 116 1.683 3.131 11.384 885 HA LEU 116 HA LEU 116 1.175 1.294 9.320 886 1HB LEU 116 1HB LEU 116 3.116 2.962 9.659 887 2HB LEU 116 2HB LEU 116 3.874 1.704 10.623 888 HG LEU 116 HG LEU 116 4.861 1.756 8.486 889 1HD1 LEU 116 1HD1 LEU 116 4.483 -0.498 9.505 890 2HD1 LEU 116 2HD1 LEU 116 3.092 -0.697 8.432 891 3HD1 LEU 116 3HD1 LEU 116 4.697 -0.491 7.757 892 1HD2 LEU 116 1HD2 LEU 116 3.744 1.343 6.373 893 2HD2 LEU 116 2HD2 LEU 116 2.164 1.254 7.175 894 3HD2 LEU 116 3HD2 LEU 116 3.073 2.783 7.152 895 H GLU 117 H GLU 117 2.755 0.651 12.531 896 HA GLU 117 HA GLU 117 2.930 -2.175 12.156 897 1HB GLU 117 1HB GLU 117 3.530 -2.336 14.414 898 2HB GLU 117 2HB GLU 117 4.303 -0.898 13.758 899 1HG GLU 117 1HG GLU 117 2.559 0.500 14.832 900 2HG GLU 117 2HG GLU 117 1.850 -0.945 15.544 901 H GLU 118 H GLU 118 0.276 -0.101 13.231 902 HA GLU 118 HA GLU 118 -1.197 -2.315 14.380 903 1HB GLU 118 1HB GLU 118 -1.398 -0.075 15.258 904 2HB GLU 118 2HB GLU 118 -2.010 0.527 13.711 905 1HG GLU 118 1HG GLU 118 -3.747 0.079 15.471 906 2HG GLU 118 2HG GLU 118 -4.018 -0.676 13.901 907 H LYS 119 H LYS 119 -1.374 -0.534 11.229 908 HA LYS 119 HA LYS 119 -3.559 -2.213 10.285 909 1HB LYS 119 1HB LYS 119 -1.530 -0.841 8.518 910 2HB LYS 119 2HB LYS 119 -3.136 -1.401 8.093 911 1HG LYS 119 1HG LYS 119 -2.311 1.087 9.556 912 2HG LYS 119 2HG LYS 119 -3.294 0.879 8.124 913 1HD LYS 119 1HD LYS 119 -5.108 -0.108 9.555 914 2HD LYS 119 2HD LYS 119 -4.125 0.307 10.991 915 1HE LYS 119 1HE LYS 119 -4.062 2.677 10.261 916 2HE LYS 119 2HE LYS 119 -5.044 2.264 8.849 917 1HZ LYS 119 1HZ LYS 119 -6.457 3.150 10.508 918 2HZ LYS 119 2HZ LYS 119 -6.774 1.540 10.408 919 3HZ LYS 119 3HZ LYS 119 -5.887 2.108 11.669 920 H LEU 120 H LEU 120 -0.028 -2.528 10.377 921 HA LEU 120 HA LEU 120 0.204 -4.927 8.838 922 1HB LEU 120 1HB LEU 120 1.819 -3.722 11.063 923 2HB LEU 120 2HB LEU 120 2.138 -5.362 10.560 924 HG LEU 120 HG LEU 120 2.172 -3.058 8.596 925 1HD1 LEU 120 1HD1 LEU 120 3.817 -2.534 10.271 926 2HD1 LEU 120 2HD1 LEU 120 4.396 -4.202 10.305 927 3HD1 LEU 120 3HD1 LEU 120 4.680 -3.181 8.872 928 1HD2 LEU 120 1HD2 LEU 120 3.524 -4.520 7.216 929 2HD2 LEU 120 2HD2 LEU 120 3.531 -5.778 8.462 930 3HD2 LEU 120 3HD2 LEU 120 2.024 -5.366 7.625 931 H ASN 121 H ASN 121 -0.296 -4.481 12.432 932 HA ASN 121 HA ASN 121 -0.677 -7.179 13.066 933 1HB ASN 121 1HB ASN 121 -0.640 -5.401 14.790 934 2HB ASN 121 2HB ASN 121 -2.246 -4.870 14.283 935 1HD2 ASN 121 1HD2 ASN 121 -0.415 -7.566 15.684 936 2HD2 ASN 121 2HD2 ASN 121 -1.811 -8.372 16.409 937 H LYS 122 H LYS 122 -3.178 -4.870 11.982 938 HA LYS 122 HA LYS 122 -5.340 -6.676 11.958 939 1HB LYS 122 1HB LYS 122 -4.787 -4.390 10.041 940 2HB LYS 122 2HB LYS 122 -6.339 -5.222 10.183 941 1HG LYS 122 1HG LYS 122 -6.589 -4.484 12.487 942 2HG LYS 122 2HG LYS 122 -4.984 -3.779 12.490 943 1HD LYS 122 1HD LYS 122 -6.011 -2.439 10.365 944 2HD LYS 122 2HD LYS 122 -7.508 -2.749 11.239 945 1HE LYS 122 1HE LYS 122 -4.998 -1.385 12.292 946 2HE LYS 122 2HE LYS 122 -6.498 -0.579 11.824 947 1HZ LYS 122 1HZ LYS 122 -6.492 -0.783 14.170 948 2HZ LYS 122 2HZ LYS 122 -7.582 -1.899 13.652 949 3HZ LYS 122 3HZ LYS 122 -6.052 -2.341 14.156 950 H ILE 123 H ILE 123 -2.975 -6.112 9.201 951 HA ILE 123 HA ILE 123 -4.433 -8.161 7.718 952 HB ILE 123 HB ILE 123 -2.695 -7.956 6.002 953 1HG1 ILE 123 1HG1 ILE 123 -1.392 -6.010 7.914 954 2HG1 ILE 123 2HG1 ILE 123 -0.714 -7.532 7.337 955 1HG2 ILE 123 1HG2 ILE 123 -3.741 -5.282 6.998 956 2HG2 ILE 123 2HG2 ILE 123 -3.306 -5.703 5.341 957 3HG2 ILE 123 3HG2 ILE 123 -4.695 -6.493 6.095 958 1HD1 ILE 123 1HD1 ILE 123 -0.799 -6.563 5.005 959 2HD1 ILE 123 2HD1 ILE 123 -1.241 -4.998 5.739 960 3HD1 ILE 123 3HD1 ILE 123 0.294 -5.767 6.153 961 H PHE 124 H PHE 124 -1.568 -8.236 9.813 962 HA PHE 124 HA PHE 124 -0.675 -10.869 9.180 963 1HB PHE 124 1HB PHE 124 -0.766 -9.312 11.779 964 2HB PHE 124 2HB PHE 124 -0.009 -10.879 11.604 965 HD1 PHE 124 1HD PHE 124 1.172 -8.056 12.457 966 HD2 PHE 124 2HD PHE 124 1.399 -10.427 8.868 967 HE1 PHE 124 1HE PHE 124 3.367 -7.056 11.930 968 HE2 PHE 124 2HE PHE 124 3.557 -9.409 8.324 969 HZ PHE 124 HZ PHE 124 4.570 -7.723 9.846 970 H GLU 125 H GLU 125 -3.141 -9.682 11.519 971 HA GLU 125 HA GLU 125 -3.743 -12.418 12.219 972 1HB GLU 125 1HB GLU 125 -4.879 -9.706 13.058 973 2HB GLU 125 2HB GLU 125 -5.330 -11.217 13.831 974 1HG GLU 125 1HG GLU 125 -2.481 -10.131 13.785 975 2HG GLU 125 2HG GLU 125 -3.637 -9.891 15.093 976 H LYS 126 H LYS 126 -5.218 -10.047 10.108 977 HA LYS 126 HA LYS 126 -7.742 -11.532 10.000 978 1HB LYS 126 1HB LYS 126 -7.579 -9.013 10.046 979 2HB LYS 126 2HB LYS 126 -7.043 -9.070 8.362 980 1HG LYS 126 1HG LYS 126 -9.605 -10.370 9.387 981 2HG LYS 126 2HG LYS 126 -9.566 -8.694 8.904 982 1HD LYS 126 1HD LYS 126 -8.436 -10.652 6.940 983 2HD LYS 126 2HD LYS 126 -10.115 -10.843 7.287 984 1HE LYS 126 1HE LYS 126 -9.077 -9.265 5.295 985 2HE LYS 126 2HE LYS 126 -10.709 -9.174 5.931 986 1HZ LYS 126 1HZ LYS 126 -8.537 -7.463 7.002 987 2HZ LYS 126 2HZ LYS 126 -9.547 -7.017 5.801 988 3HZ LYS 126 3HZ LYS 126 -10.175 -7.382 7.257 989 H LEU 127 H LEU 127 -5.360 -10.385 7.496 990 HA LEU 127 HA LEU 127 -6.342 -12.285 5.579 991 1HB LEU 127 1HB LEU 127 -3.570 -11.130 5.404 992 2HB LEU 127 2HB LEU 127 -4.660 -11.571 4.114 993 HG LEU 127 HG LEU 127 -4.722 -9.085 5.844 994 1HD1 LEU 127 1HD1 LEU 127 -3.174 -9.275 3.783 995 2HD1 LEU 127 2HD1 LEU 127 -4.661 -9.206 2.829 996 3HD1 LEU 127 3HD1 LEU 127 -4.228 -7.874 3.900 997 1HD2 LEU 127 1HD2 LEU 127 -6.680 -8.326 4.529 998 2HD2 LEU 127 2HD2 LEU 127 -6.819 -9.972 3.851 999 3HD2 LEU 127 3HD2 LEU 127 -7.019 -9.698 5.589 1000 H GLY 128 H GLY 128 -3.855 -12.430 8.096 1001 1HA GLY 128 1HA GLY 128 -2.612 -14.311 8.801 1002 2HA GLY 128 2HA GLY 128 -3.147 -15.208 7.392 1003 H MET 129 H MET 129 -1.792 -11.870 7.559 1004 HA MET 129 HA MET 129 0.080 -12.473 5.359 1005 1HB MET 129 2HB MET 129 -0.281 -10.058 7.157 1006 2HB MET 129 3HB MET 129 1.131 -10.235 6.121 1007 1HG MET 129 2HG MET 129 -1.742 -10.135 5.202 1008 2HG MET 129 3HG MET 129 -0.538 -8.867 5.061 1009 1HE MET 129 1HE MET 129 -1.232 -12.288 2.120 1010 2HE MET 129 2HE MET 129 -1.422 -12.584 3.859 1011 3HE MET 129 3HE MET 129 -2.426 -11.365 3.047 Start of MODEL 16 1 1H MET 1 H MET 1 17.111 -18.466 0.359 2 2H MET 1 2HN MET 1 16.321 -17.226 1.099 3 3H MET 1 3HN MET 1 17.866 -17.021 0.564 4 HA MET 1 HA MET 1 17.023 -18.879 2.675 5 1HB MET 1 2HB MET 1 19.869 -18.023 2.024 6 2HB MET 1 3HB MET 1 19.344 -19.147 3.254 7 1HG MET 1 2HG MET 1 19.721 -20.791 1.812 8 2HG MET 1 3HG MET 1 18.277 -20.280 0.949 9 1HE MET 1 1HE MET 1 21.935 -18.913 1.456 10 2HE MET 1 2HE MET 1 22.200 -20.587 0.924 11 3HE MET 1 3HE MET 1 22.669 -19.233 -0.124 12 H ALA 2 H ALA 2 18.609 -15.718 1.937 13 HA ALA 2 HA ALA 2 17.713 -14.711 4.579 14 1HB ALA 2 1HB ALA 2 20.120 -13.969 2.847 15 2HB ALA 2 2HB ALA 2 19.566 -13.032 4.236 16 3HB ALA 2 3HB ALA 2 20.158 -14.689 4.473 17 H ASP 3 H ASP 3 15.648 -14.002 3.887 18 HA ASP 3 HA ASP 3 15.565 -12.225 1.492 19 1HB ASP 3 1HB ASP 3 13.480 -14.263 2.320 20 2HB ASP 3 2HB ASP 3 13.325 -13.075 1.029 21 H LYS 4 H LYS 4 15.991 -11.582 4.278 22 HA LYS 4 HA LYS 4 13.633 -10.158 5.281 23 1HB LYS 4 1HB LYS 4 15.299 -9.106 6.833 24 2HB LYS 4 2HB LYS 4 15.061 -10.828 7.001 25 1HG LYS 4 1HG LYS 4 17.411 -9.690 5.421 26 2HG LYS 4 2HG LYS 4 17.435 -9.895 7.160 27 1HD LYS 4 1HD LYS 4 16.593 -12.398 6.370 28 2HD LYS 4 2HD LYS 4 17.652 -11.943 5.030 29 1HE LYS 4 1HE LYS 4 18.378 -11.908 7.986 30 2HE LYS 4 2HE LYS 4 18.815 -13.198 6.865 31 1HZ LYS 4 1HZ LYS 4 19.665 -10.409 6.382 32 2HZ LYS 4 2HZ LYS 4 20.502 -11.415 7.362 33 3HZ LYS 4 3HZ LYS 4 20.335 -11.789 5.789 34 H GLU 5 H GLU 5 13.399 -9.485 3.068 35 HA GLU 5 HA GLU 5 14.033 -6.837 2.299 36 1HB GLU 5 1HB GLU 5 15.533 -7.436 0.372 37 2HB GLU 5 2HB GLU 5 16.287 -7.537 1.946 38 1HG GLU 5 1HG GLU 5 16.057 -10.008 1.898 39 2HG GLU 5 2HG GLU 5 15.282 -9.907 0.307 40 H LEU 6 H LEU 6 11.860 -8.916 2.559 41 HA LEU 6 HA LEU 6 10.575 -9.533 0.159 42 1HB LEU 6 1HB LEU 6 9.679 -10.021 2.400 43 2HB LEU 6 2HB LEU 6 9.502 -8.310 2.728 44 HG LEU 6 HG LEU 6 8.118 -8.948 0.226 45 1HD1 LEU 6 1HD1 LEU 6 7.364 -10.603 2.631 46 2HD1 LEU 6 2HD1 LEU 6 6.326 -10.404 1.222 47 3HD1 LEU 6 3HD1 LEU 6 7.896 -11.206 1.037 48 1HD2 LEU 6 1HD2 LEU 6 7.133 -8.022 2.963 49 2HD2 LEU 6 2HD2 LEU 6 7.611 -6.989 1.597 50 3HD2 LEU 6 3HD2 LEU 6 6.172 -8.007 1.481 51 H LYS 7 H LYS 7 10.271 -8.304 -1.568 52 HA LYS 7 HA LYS 7 10.890 -5.530 -1.441 53 1HB LYS 7 1HB LYS 7 11.288 -7.024 -3.423 54 2HB LYS 7 2HB LYS 7 9.551 -6.951 -3.778 55 1HG LYS 7 1HG LYS 7 9.665 -4.488 -3.923 56 2HG LYS 7 2HG LYS 7 11.368 -4.508 -3.489 57 1HD LYS 7 1HD LYS 7 10.134 -5.725 -5.978 58 2HD LYS 7 2HD LYS 7 10.974 -4.175 -5.876 59 1HE LYS 7 1HE LYS 7 12.150 -6.957 -5.696 60 2HE LYS 7 2HE LYS 7 12.538 -5.640 -6.826 61 1HZ LYS 7 1HZ LYS 7 13.269 -5.788 -3.957 62 2HZ LYS 7 2HZ LYS 7 14.278 -5.755 -5.233 63 3HZ LYS 7 3HZ LYS 7 13.399 -4.419 -4.892 64 H PHE 8 H PHE 8 9.641 -3.763 -1.071 65 HA PHE 8 HA PHE 8 6.682 -4.134 -0.789 66 1HB PHE 8 1HB PHE 8 8.774 -2.411 0.450 67 2HB PHE 8 2HB PHE 8 7.303 -1.559 -0.005 68 HD1 PHE 8 1HD PHE 8 5.702 -1.343 1.697 69 HD2 PHE 8 2HD PHE 8 8.337 -4.765 1.704 70 HE1 PHE 8 1HE PHE 8 4.663 -2.169 3.800 71 HE2 PHE 8 2HE PHE 8 7.214 -5.601 3.737 72 HZ PHE 8 HZ PHE 8 5.431 -4.285 4.826 73 H LEU 9 H LEU 9 5.371 -2.488 -1.947 74 HA LEU 9 HA LEU 9 6.888 -0.898 -3.930 75 1HB LEU 9 1HB LEU 9 5.466 -2.753 -5.002 76 2HB LEU 9 2HB LEU 9 4.063 -1.941 -4.310 77 HG LEU 9 HG LEU 9 4.864 0.183 -5.524 78 1HD1 LEU 9 1HD1 LEU 9 7.212 -0.593 -5.992 79 2HD1 LEU 9 2HD1 LEU 9 6.540 -1.777 -7.129 80 3HD1 LEU 9 3HD1 LEU 9 6.343 -0.035 -7.408 81 1HD2 LEU 9 1HD2 LEU 9 2.965 -1.100 -6.315 82 2HD2 LEU 9 2HD2 LEU 9 3.940 -0.558 -7.689 83 3HD2 LEU 9 3HD2 LEU 9 4.039 -2.245 -7.145 84 H VAL 10 H VAL 10 6.499 1.268 -3.769 85 HA VAL 10 HA VAL 10 4.089 2.168 -2.279 86 HB VAL 10 HB VAL 10 6.831 3.429 -1.906 87 1HG1 VAL 10 1HG1 VAL 10 5.703 4.444 0.069 88 2HG1 VAL 10 2HG1 VAL 10 4.951 4.899 -1.462 89 3HG1 VAL 10 3HG1 VAL 10 4.176 3.692 -0.423 90 1HG2 VAL 10 1HG2 VAL 10 6.998 1.192 -0.930 91 2HG2 VAL 10 2HG2 VAL 10 6.869 2.398 0.351 92 3HG2 VAL 10 3HG2 VAL 10 5.454 1.412 -0.087 93 H VAL 11 H VAL 11 2.871 3.256 -3.722 94 HA VAL 11 HA VAL 11 4.201 5.001 -5.756 95 HB VAL 11 HB VAL 11 1.708 3.400 -6.354 96 1HG1 VAL 11 1HG1 VAL 11 2.415 3.839 -8.673 97 2HG1 VAL 11 2HG1 VAL 11 2.213 5.361 -7.821 98 3HG1 VAL 11 3HG1 VAL 11 3.838 4.730 -8.125 99 1HG2 VAL 11 1HG2 VAL 11 3.275 1.865 -7.621 100 2HG2 VAL 11 2HG2 VAL 11 4.605 2.561 -6.693 101 3HG2 VAL 11 3HG2 VAL 11 3.272 1.697 -5.876 102 H ASP 12 H ASP 12 3.861 6.596 -3.976 103 HA ASP 12 HA ASP 12 1.153 7.299 -3.191 104 1HB ASP 12 1HB ASP 12 3.196 9.329 -2.670 105 2HB ASP 12 2HB ASP 12 2.121 8.502 -1.558 106 H ASP 13 H ASP 13 0.352 9.634 -3.579 107 HA ASP 13 HA ASP 13 1.013 10.687 -6.247 108 1HB ASP 13 1HB ASP 13 -1.286 10.823 -5.480 109 2HB ASP 13 2HB ASP 13 -0.778 11.645 -3.997 110 H PHE 14 H PHE 14 2.465 10.836 -3.201 111 HA PHE 14 HA PHE 14 3.671 13.516 -3.686 112 1HB PHE 14 1HB PHE 14 1.812 13.656 -2.053 113 2HB PHE 14 2HB PHE 14 2.552 12.392 -1.102 114 HD1 PHE 14 1HD PHE 14 4.190 15.372 -2.756 115 HD2 PHE 14 2HD PHE 14 3.054 13.453 0.949 116 HE1 PHE 14 1HE PHE 14 5.389 17.076 -1.508 117 HE2 PHE 14 2HE PHE 14 4.298 15.200 2.199 118 HZ PHE 14 HZ PHE 14 5.440 17.032 0.989 119 H SER 15 H SER 15 5.778 12.885 -4.226 120 HA SER 15 HA SER 15 7.005 10.598 -3.648 121 1HB SER 15 1HB SER 15 8.524 13.220 -3.619 122 2HB SER 15 2HB SER 15 9.091 11.648 -4.203 123 HG SER 15 HG SER 15 7.778 11.809 -5.967 124 H THR 16 H THR 16 7.176 13.435 -1.398 125 HA THR 16 HA THR 16 8.939 12.393 0.503 126 HB THR 16 HB THR 16 6.495 14.122 0.918 127 HG1 THR 16 1HG THR 16 8.111 15.810 0.827 128 1HG2 THR 16 1HG2 THR 16 7.700 15.036 2.887 129 2HG2 THR 16 2HG2 THR 16 7.350 13.339 3.063 130 3HG2 THR 16 3HG2 THR 16 9.000 13.848 2.628 131 H MET 17 H MET 17 5.509 11.570 -0.037 132 HA MET 17 HA MET 17 5.064 10.403 2.510 133 1HB MET 17 1HB MET 17 3.493 11.038 0.320 134 2HB MET 17 2HB MET 17 3.498 9.278 0.279 135 1HG MET 17 1HG MET 17 2.935 9.396 2.742 136 2HG MET 17 2HG MET 17 2.689 11.133 2.526 137 1HE MET 17 1HE MET 17 1.207 10.617 -0.639 138 2HE MET 17 2HE MET 17 -0.452 10.875 -0.092 139 3HE MET 17 3HE MET 17 0.833 11.966 0.475 140 H ARG 18 H ARG 18 6.605 9.088 -0.527 141 HA ARG 18 HA ARG 18 6.615 6.404 0.396 142 1HB ARG 18 1HB ARG 18 7.195 6.902 -1.873 143 2HB ARG 18 2HB ARG 18 8.579 7.869 -1.416 144 1HG ARG 18 1HG ARG 18 8.433 4.908 -0.739 145 2HG ARG 18 2HG ARG 18 8.791 5.463 -2.364 146 1HD ARG 18 1HD ARG 18 10.686 6.888 -1.281 147 2HD ARG 18 2HD ARG 18 10.501 5.783 0.104 148 HE ARG 18 HE ARG 18 10.658 4.380 -2.403 149 1HH1 ARG 18 2HH2 ARG 18 12.998 6.054 -0.180 150 2HH1 ARG 18 1HH2 ARG 18 14.296 5.172 -0.897 151 1HH2 ARG 18 2HH1 ARG 18 12.448 3.516 -3.308 152 2HH2 ARG 18 1HH1 ARG 18 14.031 3.752 -2.609 153 H ARG 19 H ARG 19 8.727 9.121 1.086 154 HA ARG 19 HA ARG 19 10.919 7.550 2.178 155 1HB ARG 19 1HB ARG 19 10.254 10.520 2.509 156 2HB ARG 19 2HB ARG 19 11.674 9.723 3.167 157 1HG ARG 19 1HG ARG 19 12.275 10.900 1.149 158 2HG ARG 19 2HG ARG 19 12.478 9.166 0.924 159 1HD ARG 19 1HD ARG 19 10.478 9.014 -0.397 160 2HD ARG 19 2HD ARG 19 10.026 10.682 0.007 161 HE ARG 19 HE ARG 19 12.402 11.038 -1.235 162 1HH1 ARG 19 2HH2 ARG 19 9.374 9.397 -2.321 163 2HH1 ARG 19 1HH2 ARG 19 10.034 9.061 -3.890 164 1HH2 ARG 19 2HH1 ARG 19 12.924 11.076 -3.399 165 2HH2 ARG 19 1HH1 ARG 19 11.905 10.386 -4.612 166 H ILE 20 H ILE 20 8.341 9.567 3.539 167 HA ILE 20 HA ILE 20 8.577 8.929 6.262 168 HB ILE 20 HB ILE 20 6.458 9.998 4.425 169 1HG1 ILE 20 1HG1 ILE 20 6.512 11.899 5.937 170 2HG1 ILE 20 2HG1 ILE 20 7.491 11.019 7.106 171 1HG2 ILE 20 1HG2 ILE 20 4.836 10.242 6.273 172 2HG2 ILE 20 2HG2 ILE 20 5.054 8.567 5.794 173 3HG2 ILE 20 3HG2 ILE 20 5.845 9.173 7.273 174 1HD1 ILE 20 1HD1 ILE 20 9.437 11.121 5.648 175 2HD1 ILE 20 2HD1 ILE 20 8.461 11.789 4.326 176 3HD1 ILE 20 3HD1 ILE 20 8.739 12.742 5.788 177 H VAL 21 H VAL 21 6.253 7.314 3.943 178 HA VAL 21 HA VAL 21 5.416 5.374 5.713 179 HB VAL 21 HB VAL 21 5.743 5.343 2.660 180 1HG1 VAL 21 1HG1 VAL 21 4.082 3.475 2.647 181 2HG1 VAL 21 2HG1 VAL 21 5.671 3.012 3.227 182 3HG1 VAL 21 3HG1 VAL 21 4.352 3.259 4.395 183 1HG2 VAL 21 1HG2 VAL 21 3.248 5.566 4.408 184 2HG2 VAL 21 2HG2 VAL 21 4.106 6.963 3.732 185 3HG2 VAL 21 3HG2 VAL 21 3.361 5.797 2.645 186 H ARG 22 H ARG 22 8.209 5.067 3.411 187 HA ARG 22 HA ARG 22 8.858 2.395 4.111 188 1HB ARG 22 1HB ARG 22 9.695 3.387 2.107 189 2HB ARG 22 2HB ARG 22 10.475 4.703 2.968 190 1HG ARG 22 1HG ARG 22 11.410 1.924 3.675 191 2HG ARG 22 2HG ARG 22 11.832 2.540 2.077 192 1HD ARG 22 1HD ARG 22 12.801 4.531 2.949 193 2HD ARG 22 2HD ARG 22 12.359 4.072 4.610 194 HE ARG 22 HE ARG 22 13.998 2.108 3.242 195 1HH1 ARG 22 2HH2 ARG 22 14.178 5.138 5.244 196 2HH1 ARG 22 1HH2 ARG 22 15.882 4.906 5.497 197 1HH2 ARG 22 2HH1 ARG 22 16.204 1.888 3.791 198 2HH2 ARG 22 1HH1 ARG 22 16.957 3.070 4.817 199 H ASN 23 H ASN 23 9.926 5.528 5.687 200 HA ASN 23 HA ASN 23 11.844 4.312 7.358 201 1HB ASN 23 1HB ASN 23 10.190 6.866 7.447 202 2HB ASN 23 2HB ASN 23 11.427 6.435 8.592 203 1HD2 ASN 23 1HD2 ASN 23 11.477 8.782 7.073 204 2HD2 ASN 23 2HD2 ASN 23 12.886 8.730 6.019 205 H LEU 24 H LEU 24 8.447 5.351 7.824 206 HA LEU 24 HA LEU 24 8.122 4.526 10.519 207 1HB LEU 24 1HB LEU 24 6.090 4.585 8.259 208 2HB LEU 24 2HB LEU 24 5.684 4.466 9.963 209 HG LEU 24 HG LEU 24 7.112 6.869 8.737 210 1HD1 LEU 24 1HD1 LEU 24 4.988 6.596 7.715 211 2HD1 LEU 24 2HD1 LEU 24 4.177 6.291 9.260 212 3HD1 LEU 24 3HD1 LEU 24 4.834 7.909 8.887 213 1HD2 LEU 24 1HD2 LEU 24 7.628 6.796 11.041 214 2HD2 LEU 24 2HD2 LEU 24 6.406 8.043 10.784 215 3HD2 LEU 24 3HD2 LEU 24 5.953 6.478 11.488 216 H LEU 25 H LEU 25 7.705 2.713 7.470 217 HA LEU 25 HA LEU 25 6.861 0.238 8.558 218 1HB LEU 25 1HB LEU 25 8.284 1.145 6.081 219 2HB LEU 25 2HB LEU 25 8.413 -0.558 6.473 220 HG LEU 25 HG LEU 25 5.693 0.789 6.544 221 1HD1 LEU 25 1HD1 LEU 25 5.333 0.254 4.226 222 2HD1 LEU 25 2HD1 LEU 25 6.685 1.377 4.379 223 3HD1 LEU 25 3HD1 LEU 25 7.004 -0.342 4.051 224 1HD2 LEU 25 1HD2 LEU 25 4.921 -1.492 5.998 225 2HD2 LEU 25 2HD2 LEU 25 6.603 -2.047 5.868 226 3HD2 LEU 25 3HD2 LEU 25 5.960 -1.539 7.434 227 H LYS 26 H LYS 26 10.277 1.100 7.639 228 HA LYS 26 HA LYS 26 11.270 -1.273 8.789 229 1HB LYS 26 1HB LYS 26 13.456 -0.396 8.689 230 2HB LYS 26 2HB LYS 26 12.558 -0.152 7.193 231 1HG LYS 26 1HG LYS 26 12.186 2.174 7.685 232 2HG LYS 26 2HG LYS 26 12.908 2.038 9.288 233 1HD LYS 26 1HD LYS 26 14.328 1.565 6.630 234 2HD LYS 26 2HD LYS 26 14.435 3.057 7.568 235 1HE LYS 26 1HE LYS 26 15.291 0.309 8.603 236 2HE LYS 26 2HE LYS 26 16.373 1.471 7.832 237 1HZ LYS 26 1HZ LYS 26 15.011 1.717 10.414 238 2HZ LYS 26 2HZ LYS 26 16.606 1.833 10.095 239 3HZ LYS 26 3HZ LYS 26 15.592 3.058 9.638 240 H GLU 27 H GLU 27 10.555 1.756 10.500 241 HA GLU 27 HA GLU 27 11.876 1.181 12.952 242 1HB GLU 27 1HB GLU 27 9.195 2.511 12.437 243 2HB GLU 27 2HB GLU 27 10.043 2.580 13.973 244 1HG GLU 27 1HG GLU 27 11.436 3.545 11.457 245 2HG GLU 27 2HG GLU 27 10.216 4.533 12.242 246 H LEU 28 H LEU 28 9.144 -0.372 11.523 247 HA LEU 28 HA LEU 28 8.452 -1.981 13.919 248 1HB LEU 28 1HB LEU 28 7.016 -1.675 11.253 249 2HB LEU 28 2HB LEU 28 6.418 -2.550 12.644 250 HG LEU 28 HG LEU 28 6.970 0.456 12.743 251 1HD1 LEU 28 1HD1 LEU 28 4.557 0.751 12.321 252 2HD1 LEU 28 2HD1 LEU 28 5.422 0.079 10.934 253 3HD1 LEU 28 3HD1 LEU 28 4.422 -0.985 11.949 254 1HD2 LEU 28 1HD2 LEU 28 5.391 0.360 14.635 255 2HD2 LEU 28 2HD2 LEU 28 5.237 -1.403 14.430 256 3HD2 LEU 28 3HD2 LEU 28 6.784 -0.689 14.912 257 H GLY 29 H GLY 29 9.432 -2.211 10.453 258 1HA GLY 29 1HA GLY 29 11.092 -4.356 10.508 259 2HA GLY 29 2HA GLY 29 9.488 -5.102 10.433 260 H PHE 30 H PHE 30 10.914 -5.686 8.342 261 HA PHE 30 HA PHE 30 11.132 -5.661 6.137 262 1HB PHE 30 1HB PHE 30 8.900 -3.635 5.890 263 2HB PHE 30 2HB PHE 30 9.455 -4.788 4.702 264 HD1 PHE 30 1HD PHE 30 9.034 -7.271 5.036 265 HD2 PHE 30 2HD PHE 30 7.207 -4.232 7.499 266 HE1 PHE 30 1HE PHE 30 7.203 -8.832 5.608 267 HE2 PHE 30 2HE PHE 30 5.409 -5.824 8.115 268 HZ PHE 30 HZ PHE 30 5.383 -8.118 7.141 269 H ASN 31 H ASN 31 11.168 -3.947 4.154 270 HA ASN 31 HA ASN 31 12.565 -1.585 4.165 271 1HB ASN 31 1HB ASN 31 14.933 -2.447 3.859 272 2HB ASN 31 2HB ASN 31 14.344 -2.507 5.493 273 1HD2 ASN 31 1HD2 ASN 31 15.542 -4.592 2.787 274 2HD2 ASN 31 2HD2 ASN 31 15.461 -6.008 3.832 275 H ASN 32 H ASN 32 14.263 -2.098 1.994 276 HA ASN 32 HA ASN 32 14.289 -2.422 -0.212 277 1HB ASN 32 1HB ASN 32 13.375 -5.105 0.773 278 2HB ASN 32 2HB ASN 32 13.497 -4.787 -0.948 279 1HD2 ASN 32 1HD2 ASN 32 15.360 -5.688 -1.675 280 2HD2 ASN 32 2HD2 ASN 32 16.937 -5.449 -0.934 281 H VAL 33 H VAL 33 12.387 -0.718 0.377 282 HA VAL 33 HA VAL 33 9.915 -1.432 -1.017 283 HB VAL 33 HB VAL 33 9.229 0.792 -0.626 284 1HG1 VAL 33 1HG1 VAL 33 9.369 -0.629 1.467 285 2HG1 VAL 33 2HG1 VAL 33 10.921 0.127 1.837 286 3HG1 VAL 33 3HG1 VAL 33 9.431 1.093 1.761 287 1HG2 VAL 33 1HG2 VAL 33 12.112 1.522 0.042 288 2HG2 VAL 33 2HG2 VAL 33 11.194 2.010 -1.394 289 3HG2 VAL 33 3HG2 VAL 33 10.686 2.599 0.168 290 H GLU 34 H GLU 34 9.363 -0.776 -3.099 291 HA GLU 34 HA GLU 34 11.359 0.587 -4.799 292 1HB GLU 34 1HB GLU 34 10.099 -2.044 -5.130 293 2HB GLU 34 2HB GLU 34 9.512 -0.974 -6.360 294 1HG GLU 34 1HG GLU 34 11.423 -2.231 -7.168 295 2HG GLU 34 2HG GLU 34 11.729 -0.503 -7.199 296 H GLU 35 H GLU 35 10.047 1.596 -6.657 297 HA GLU 35 HA GLU 35 7.325 2.428 -5.840 298 1HB GLU 35 1HB GLU 35 9.451 4.259 -7.032 299 2HB GLU 35 2HB GLU 35 7.801 4.689 -6.597 300 1HG GLU 35 1HG GLU 35 8.777 5.505 -4.756 301 2HG GLU 35 2HG GLU 35 8.594 3.857 -4.162 302 H ALA 36 H ALA 36 6.455 3.753 -7.838 303 HA ALA 36 HA ALA 36 7.127 2.577 -10.416 304 1HB ALA 36 1HB ALA 36 4.265 2.837 -9.420 305 2HB ALA 36 2HB ALA 36 4.813 2.028 -10.872 306 3HB ALA 36 3HB ALA 36 5.149 1.306 -9.288 307 H GLU 37 H GLU 37 5.944 4.064 -12.112 308 HA GLU 37 HA GLU 37 6.373 6.834 -11.270 309 1HB GLU 37 1HB GLU 37 5.689 7.428 -13.524 310 2HB GLU 37 2HB GLU 37 6.990 6.239 -13.526 311 1HG GLU 37 1HG GLU 37 5.486 4.471 -14.114 312 2HG GLU 37 2HG GLU 37 4.062 5.481 -13.915 313 H ASP 38 H ASP 38 3.539 4.628 -11.520 314 HA ASP 38 HA ASP 38 1.864 6.300 -10.083 315 1HB ASP 38 1HB ASP 38 0.326 7.164 -11.607 316 2HB ASP 38 2HB ASP 38 1.856 7.632 -12.259 317 H GLY 39 H GLY 39 -0.499 5.226 -10.371 318 1HA GLY 39 1HA GLY 39 -0.332 2.601 -9.478 319 2HA GLY 39 2HA GLY 39 -1.790 3.373 -10.069 320 H VAL 40 H VAL 40 -0.677 3.696 -12.878 321 HA VAL 40 HA VAL 40 -1.726 1.199 -13.909 322 HB VAL 40 HB VAL 40 -0.266 3.458 -15.366 323 1HG1 VAL 40 1HG1 VAL 40 -2.187 1.320 -16.328 324 2HG1 VAL 40 2HG1 VAL 40 -1.548 2.659 -17.315 325 3HG1 VAL 40 3HG1 VAL 40 -0.444 1.435 -16.683 326 1HG2 VAL 40 1HG2 VAL 40 -3.252 3.181 -14.780 327 2HG2 VAL 40 2HG2 VAL 40 -2.167 4.484 -14.222 328 3HG2 VAL 40 3HG2 VAL 40 -2.532 4.334 -15.932 329 H ASP 41 H ASP 41 1.427 2.779 -13.461 330 HA ASP 41 HA ASP 41 2.994 0.591 -14.539 331 1HB ASP 41 1HB ASP 41 3.817 2.925 -14.424 332 2HB ASP 41 2HB ASP 41 3.761 2.871 -12.690 333 H ALA 42 H ALA 42 1.650 1.469 -11.321 334 HA ALA 42 HA ALA 42 3.297 -0.068 -9.697 335 1HB ALA 42 1HB ALA 42 1.566 1.641 -8.955 336 2HB ALA 42 2HB ALA 42 0.326 0.396 -9.203 337 3HB ALA 42 3HB ALA 42 1.586 0.134 -8.010 338 H LEU 43 H LEU 43 0.163 -0.893 -11.157 339 HA LEU 43 HA LEU 43 -0.059 -3.571 -10.314 340 1HB LEU 43 1HB LEU 43 -1.753 -2.125 -11.604 341 2HB LEU 43 2HB LEU 43 -0.780 -2.392 -13.034 342 HG LEU 43 HG LEU 43 -1.147 -4.955 -12.488 343 1HD1 LEU 43 1HD1 LEU 43 -3.585 -3.768 -11.118 344 2HD1 LEU 43 2HD1 LEU 43 -3.206 -5.494 -11.368 345 3HD1 LEU 43 3HD1 LEU 43 -2.233 -4.530 -10.263 346 1HD2 LEU 43 1HD2 LEU 43 -1.963 -3.810 -14.480 347 2HD2 LEU 43 2HD2 LEU 43 -3.207 -4.902 -13.856 348 3HD2 LEU 43 3HD2 LEU 43 -3.331 -3.143 -13.577 349 H ASN 44 H ASN 44 1.767 -2.230 -13.041 350 HA ASN 44 HA ASN 44 2.476 -4.800 -14.154 351 1HB ASN 44 1HB ASN 44 2.389 -2.402 -15.277 352 2HB ASN 44 2HB ASN 44 4.036 -2.261 -14.658 353 1HD2 ASN 44 1HD2 ASN 44 3.945 -2.139 -17.407 354 2HD2 ASN 44 2HD2 ASN 44 4.232 -3.717 -18.114 355 H LYS 45 H LYS 45 3.894 -2.656 -11.710 356 HA LYS 45 HA LYS 45 6.384 -4.140 -11.455 357 1HB LYS 45 1HB LYS 45 4.925 -2.822 -9.142 358 2HB LYS 45 2HB LYS 45 6.608 -3.232 -9.286 359 1HG LYS 45 1HG LYS 45 5.166 -0.942 -10.607 360 2HG LYS 45 2HG LYS 45 6.466 -0.903 -9.430 361 1HD LYS 45 1HD LYS 45 7.961 -1.998 -11.192 362 2HD LYS 45 2HD LYS 45 6.633 -1.652 -12.343 363 1HE LYS 45 1HE LYS 45 6.707 0.749 -11.398 364 2HE LYS 45 2HE LYS 45 8.283 0.320 -10.713 365 1HZ LYS 45 1HZ LYS 45 8.969 -0.208 -13.025 366 2HZ LYS 45 2HZ LYS 45 7.457 0.316 -13.546 367 3HZ LYS 45 3HZ LYS 45 8.458 1.365 -12.871 368 H LEU 46 H LEU 46 3.166 -4.407 -9.781 369 HA LEU 46 HA LEU 46 3.858 -6.494 -8.089 370 1HB LEU 46 1HB LEU 46 1.121 -6.428 -9.416 371 2HB LEU 46 2HB LEU 46 1.538 -7.016 -7.814 372 HG LEU 46 HG LEU 46 1.596 -4.161 -8.776 373 1HD1 LEU 46 1HD1 LEU 46 -0.266 -3.792 -7.397 374 2HD1 LEU 46 2HD1 LEU 46 -0.595 -5.073 -8.578 375 3HD1 LEU 46 3HD1 LEU 46 -0.286 -5.505 -6.876 376 1HD2 LEU 46 1HD2 LEU 46 3.311 -4.531 -6.986 377 2HD2 LEU 46 2HD2 LEU 46 1.997 -3.443 -6.547 378 3HD2 LEU 46 3HD2 LEU 46 1.994 -5.123 -5.941 379 H GLN 47 H GLN 47 2.355 -6.857 -11.330 380 HA GLN 47 HA GLN 47 2.494 -9.718 -11.167 381 1HB GLN 47 1HB GLN 47 1.910 -7.920 -13.544 382 2HB GLN 47 2HB GLN 47 1.790 -9.687 -13.550 383 1HG GLN 47 1HG GLN 47 0.272 -9.379 -11.422 384 2HG GLN 47 2HG GLN 47 0.109 -7.712 -11.985 385 1HE2 GLN 47 1HE2 GLN 47 -0.522 -11.164 -12.780 386 2HE2 GLN 47 2HE2 GLN 47 -1.599 -10.842 -14.118 387 H ALA 48 H ALA 48 5.156 -8.045 -11.123 388 HA ALA 48 HA ALA 48 6.928 -9.514 -12.879 389 1HB ALA 48 1HB ALA 48 7.687 -7.514 -11.643 390 2HB ALA 48 2HB ALA 48 7.229 -8.275 -10.109 391 3HB ALA 48 3HB ALA 48 8.547 -8.956 -11.064 392 H GLY 49 H GLY 49 5.355 -9.986 -9.684 393 1HA GLY 49 1HA GLY 49 4.888 -11.884 -8.488 394 2HA GLY 49 2HA GLY 49 5.645 -12.888 -9.728 395 H GLY 50 H GLY 50 6.120 -11.063 -6.807 396 1HA GLY 50 1HA GLY 50 8.175 -12.348 -5.640 397 2HA GLY 50 2HA GLY 50 9.046 -11.226 -6.697 398 H TYR 51 H TYR 51 7.038 -9.093 -6.533 399 HA TYR 51 HA TYR 51 7.511 -7.689 -4.128 400 1HB TYR 51 1HB TYR 51 5.218 -7.638 -6.122 401 2HB TYR 51 2HB TYR 51 5.198 -6.635 -4.684 402 HD1 TYR 51 1HD TYR 51 6.777 -7.098 -7.982 403 HD2 TYR 51 2HD TYR 51 6.799 -4.820 -4.318 404 HE1 TYR 51 1HE TYR 51 8.141 -5.366 -9.083 405 HE2 TYR 51 2HE TYR 51 8.084 -3.046 -5.415 406 HH TYR 51 HH TYR 51 8.985 -2.302 -7.395 407 H GLY 52 H GLY 52 6.556 -7.635 -2.139 408 1HA GLY 52 1HA GLY 52 4.759 -9.949 -1.483 409 2HA GLY 52 2HA GLY 52 6.006 -9.260 -0.472 410 H PHE 53 H PHE 53 4.952 -6.412 -1.374 411 HA PHE 53 HA PHE 53 2.458 -6.273 0.169 412 1HB PHE 53 1HB PHE 53 4.643 -6.203 1.647 413 2HB PHE 53 2HB PHE 53 4.867 -4.616 0.960 414 HD1 PHE 53 1HD PHE 53 2.703 -2.960 1.249 415 HD2 PHE 53 2HD PHE 53 3.616 -6.411 3.677 416 HE1 PHE 53 1HE PHE 53 1.388 -2.014 3.090 417 HE2 PHE 53 2HE PHE 53 2.412 -5.407 5.548 418 HZ PHE 53 HZ PHE 53 1.258 -3.193 5.276 419 H VAL 54 H VAL 54 1.326 -4.283 -0.330 420 HA VAL 54 HA VAL 54 2.487 -2.720 -2.572 421 HB VAL 54 HB VAL 54 -0.405 -3.664 -2.353 422 1HG1 VAL 54 1HG1 VAL 54 -0.288 -3.444 -4.860 423 2HG1 VAL 54 2HG1 VAL 54 -0.123 -1.914 -4.005 424 3HG1 VAL 54 3HG1 VAL 54 1.314 -2.729 -4.668 425 1HG2 VAL 54 1HG2 VAL 54 1.916 -5.068 -3.680 426 2HG2 VAL 54 2HG2 VAL 54 0.869 -5.693 -2.392 427 3HG2 VAL 54 3HG2 VAL 54 0.189 -5.418 -3.991 428 H ILE 55 H ILE 55 2.376 -0.537 -2.222 429 HA ILE 55 HA ILE 55 0.284 0.470 -0.461 430 HB ILE 55 HB ILE 55 3.084 1.589 -0.383 431 1HG1 ILE 55 1HG1 ILE 55 1.837 -0.547 1.367 432 2HG1 ILE 55 2HG1 ILE 55 3.341 -0.656 0.447 433 1HG2 ILE 55 1HG2 ILE 55 1.133 3.048 0.261 434 2HG2 ILE 55 2HG2 ILE 55 0.722 1.848 1.508 435 3HG2 ILE 55 3HG2 ILE 55 2.248 2.762 1.585 436 1HD1 ILE 55 1HD1 ILE 55 4.403 0.948 1.985 437 2HD1 ILE 55 2HD1 ILE 55 2.891 1.034 2.937 438 3HD1 ILE 55 3HD1 ILE 55 3.755 -0.484 2.805 439 H SER 56 H SER 56 -0.790 2.241 -1.309 440 HA SER 56 HA SER 56 0.512 3.762 -3.449 441 1HB SER 56 1HB SER 56 -1.469 3.328 -5.029 442 2HB SER 56 2HB SER 56 -0.249 2.060 -4.870 443 HG SER 56 HG SER 56 -2.073 0.960 -4.648 444 H ASP 57 H ASP 57 -0.720 5.610 -4.154 445 HA ASP 57 HA ASP 57 -2.289 6.837 -2.035 446 1HB ASP 57 1HB ASP 57 -0.782 7.914 -3.946 447 2HB ASP 57 2HB ASP 57 -2.282 7.923 -4.854 448 H TRP 58 H TRP 58 -4.419 7.864 -2.759 449 HA TRP 58 HA TRP 58 -6.229 5.920 -4.091 450 1HB TRP 58 1HB TRP 58 -7.072 6.984 -2.028 451 2HB TRP 58 2HB TRP 58 -6.816 8.587 -2.719 452 HD1 TRP 58 HD TRP 58 -8.335 9.098 -5.033 453 HE1 TRP 58 1HE TRP 58 -10.608 8.253 -5.772 454 HE3 TRP 58 3HE TRP 58 -8.891 5.321 -1.674 455 HZ2 TRP 58 2HZ TRP 58 -12.440 6.077 -5.029 456 HZ3 TRP 58 3HZ TRP 58 -10.976 3.982 -1.606 457 HH2 TRP 58 HH TRP 58 -12.718 4.349 -3.382 458 H ASN 59 H ASN 59 -5.023 9.324 -4.222 459 HA ASN 59 HA ASN 59 -6.766 9.849 -6.497 460 1HB ASN 59 1HB ASN 59 -4.838 11.526 -4.852 461 2HB ASN 59 2HB ASN 59 -5.519 12.135 -6.359 462 1HD2 ASN 59 1HD2 ASN 59 -6.008 12.839 -3.364 463 2HD2 ASN 59 2HD2 ASN 59 -7.764 12.885 -3.293 464 H MET 60 H MET 60 -6.250 9.099 -8.437 465 HA MET 60 HA MET 60 -3.433 9.463 -9.385 466 1HB MET 60 1HB MET 60 -5.513 7.329 -9.641 467 2HB MET 60 2HB MET 60 -4.468 7.562 -10.994 468 1HG MET 60 1HG MET 60 -3.284 7.368 -8.206 469 2HG MET 60 2HG MET 60 -3.791 5.905 -9.017 470 1HE MET 60 1HE MET 60 -1.548 5.751 -12.215 471 2HE MET 60 2HE MET 60 -2.917 5.055 -11.336 472 3HE MET 60 3HE MET 60 -3.082 6.597 -12.207 473 HA PRO 61 HA PRO 61 -5.382 11.599 -12.904 474 1HB PRO 61 1HB PRO 61 -3.614 11.229 -14.909 475 2HB PRO 61 2HB PRO 61 -3.167 12.166 -13.455 476 1HG PRO 61 1HG PRO 61 -2.580 9.244 -14.033 477 2HG PRO 61 2HG PRO 61 -1.432 10.510 -13.498 478 1HD PRO 61 1HD PRO 61 -2.664 8.785 -11.776 479 2HD PRO 61 2HD PRO 61 -2.250 10.450 -11.301 480 H ASN 62 H ASN 62 -5.478 8.245 -12.544 481 HA ASN 62 HA ASN 62 -6.674 7.743 -15.164 482 1HB ASN 62 1HB ASN 62 -4.134 7.770 -15.464 483 2HB ASN 62 2HB ASN 62 -4.050 6.300 -14.533 484 1HD2 ASN 62 1HD2 ASN 62 -3.782 7.188 -17.506 485 2HD2 ASN 62 2HD2 ASN 62 -4.983 6.306 -18.408 486 H MET 63 H MET 63 -4.932 5.360 -13.262 487 HA MET 63 HA MET 63 -7.433 3.963 -12.551 488 1HB MET 63 1HB MET 63 -5.602 2.780 -13.761 489 2HB MET 63 2HB MET 63 -4.512 3.082 -12.400 490 1HG MET 63 1HG MET 63 -6.072 1.822 -10.918 491 2HG MET 63 2HG MET 63 -7.095 1.475 -12.310 492 1HE MET 63 1HE MET 63 -6.342 -0.007 -14.372 493 2HE MET 63 2HE MET 63 -4.765 0.795 -14.626 494 3HE MET 63 3HE MET 63 -4.859 -0.970 -14.446 495 H ASP 64 H ASP 64 -8.192 5.219 -10.792 496 HA ASP 64 HA ASP 64 -6.774 6.257 -8.559 497 1HB ASP 64 1HB ASP 64 -9.539 5.285 -9.102 498 2HB ASP 64 2HB ASP 64 -9.055 5.400 -7.425 499 H GLY 65 H GLY 65 -6.346 5.395 -6.542 500 1HA GLY 65 1HA GLY 65 -5.191 2.896 -6.319 501 2HA GLY 65 2HA GLY 65 -5.816 3.816 -4.949 502 H LEU 66 H LEU 66 -8.629 3.608 -6.168 503 HA LEU 66 HA LEU 66 -9.440 1.165 -4.865 504 1HB LEU 66 1HB LEU 66 -10.724 3.456 -5.232 505 2HB LEU 66 2HB LEU 66 -11.194 2.762 -6.770 506 HG LEU 66 HG LEU 66 -12.891 2.543 -5.041 507 1HD1 LEU 66 1HD1 LEU 66 -13.527 0.262 -5.220 508 2HD1 LEU 66 2HD1 LEU 66 -12.790 0.737 -6.766 509 3HD1 LEU 66 3HD1 LEU 66 -11.872 -0.250 -5.595 510 1HD2 LEU 66 1HD2 LEU 66 -11.314 2.324 -3.105 511 2HD2 LEU 66 2HD2 LEU 66 -12.641 1.156 -3.134 512 3HD2 LEU 66 3HD2 LEU 66 -11.023 0.639 -3.575 513 H GLU 67 H GLU 67 -9.264 2.257 -8.294 514 HA GLU 67 HA GLU 67 -10.236 -0.295 -9.279 515 1HB GLU 67 1HB GLU 67 -8.891 2.019 -10.739 516 2HB GLU 67 2HB GLU 67 -9.596 0.574 -11.489 517 1HG GLU 67 1HG GLU 67 -11.761 1.249 -10.133 518 2HG GLU 67 2HG GLU 67 -10.999 2.847 -10.069 519 H LEU 68 H LEU 68 -7.058 1.169 -8.637 520 HA LEU 68 HA LEU 68 -5.456 -0.918 -9.738 521 1HB LEU 68 1HB LEU 68 -4.542 1.247 -8.993 522 2HB LEU 68 2HB LEU 68 -4.961 0.858 -7.324 523 HG LEU 68 HG LEU 68 -3.362 -1.044 -7.348 524 1HD1 LEU 68 1HD1 LEU 68 -2.672 -0.057 -10.154 525 2HD1 LEU 68 2HD1 LEU 68 -1.630 -1.121 -9.198 526 3HD1 LEU 68 3HD1 LEU 68 -3.227 -1.675 -9.701 527 1HD2 LEU 68 1HD2 LEU 68 -2.130 1.601 -8.226 528 2HD2 LEU 68 2HD2 LEU 68 -2.731 1.246 -6.597 529 3HD2 LEU 68 3HD2 LEU 68 -1.355 0.335 -7.239 530 H LEU 69 H LEU 69 -6.585 -0.526 -6.311 531 HA LEU 69 HA LEU 69 -5.901 -3.054 -5.264 532 1HB LEU 69 1HB LEU 69 -6.776 -1.611 -3.710 533 2HB LEU 69 2HB LEU 69 -8.050 -1.041 -4.748 534 HG LEU 69 HG LEU 69 -9.498 -2.822 -4.320 535 1HD1 LEU 69 1HD1 LEU 69 -7.555 -4.672 -3.848 536 2HD1 LEU 69 2HD1 LEU 69 -7.951 -4.247 -2.194 537 3HD1 LEU 69 3HD1 LEU 69 -9.223 -4.807 -3.263 538 1HD2 LEU 69 1HD2 LEU 69 -8.107 -1.732 -1.870 539 2HD2 LEU 69 2HD2 LEU 69 -9.550 -1.079 -2.651 540 3HD2 LEU 69 3HD2 LEU 69 -9.645 -2.589 -1.740 541 H LYS 70 H LYS 70 -8.965 -2.155 -6.992 542 HA LYS 70 HA LYS 70 -9.947 -4.840 -6.802 543 1HB LYS 70 1HB LYS 70 -10.694 -2.519 -8.600 544 2HB LYS 70 2HB LYS 70 -11.473 -4.105 -8.701 545 1HG LYS 70 1HG LYS 70 -12.015 -3.973 -6.252 546 2HG LYS 70 2HG LYS 70 -11.392 -2.316 -6.221 547 1HD LYS 70 1HD LYS 70 -13.077 -1.579 -7.814 548 2HD LYS 70 2HD LYS 70 -13.458 -3.251 -8.233 549 1HE LYS 70 1HE LYS 70 -14.336 -3.609 -5.918 550 2HE LYS 70 2HE LYS 70 -14.209 -1.850 -5.663 551 1HZ LYS 70 1HZ LYS 70 -15.712 -3.114 -7.880 552 2HZ LYS 70 2HZ LYS 70 -16.405 -2.640 -6.467 553 3HZ LYS 70 3HZ LYS 70 -15.731 -1.517 -7.457 554 H THR 71 H THR 71 -7.762 -3.417 -9.197 555 HA THR 71 HA THR 71 -8.060 -5.604 -11.076 556 HB THR 71 HB THR 71 -5.817 -3.566 -10.747 557 HG1 THR 71 1HG THR 71 -7.689 -2.482 -11.127 558 1HG2 THR 71 1HG2 THR 71 -5.397 -4.011 -13.116 559 2HG2 THR 71 2HG2 THR 71 -5.239 -5.521 -12.197 560 3HG2 THR 71 3HG2 THR 71 -6.696 -5.229 -13.157 561 H ILE 72 H ILE 72 -5.639 -4.816 -8.503 562 HA ILE 72 HA ILE 72 -4.313 -7.274 -8.495 563 HB ILE 72 HB ILE 72 -4.925 -5.631 -6.047 564 1HG1 ILE 72 1HG1 ILE 72 -2.607 -5.258 -7.919 565 2HG1 ILE 72 2HG1 ILE 72 -3.958 -4.204 -7.944 566 1HG2 ILE 72 1HG2 ILE 72 -2.870 -6.514 -5.114 567 2HG2 ILE 72 2HG2 ILE 72 -3.910 -7.841 -5.616 568 3HG2 ILE 72 3HG2 ILE 72 -2.536 -7.363 -6.632 569 1HD1 ILE 72 1HD1 ILE 72 -2.179 -3.130 -6.725 570 2HD1 ILE 72 2HD1 ILE 72 -3.495 -3.446 -5.625 571 3HD1 ILE 72 3HD1 ILE 72 -2.052 -4.492 -5.607 572 H ARG 73 H ARG 73 -7.166 -6.407 -6.649 573 HA ARG 73 HA ARG 73 -7.723 -8.974 -5.572 574 1HB ARG 73 1HB ARG 73 -8.386 -6.492 -4.943 575 2HB ARG 73 2HB ARG 73 -9.830 -6.833 -5.869 576 1HG ARG 73 1HG ARG 73 -8.825 -8.595 -3.580 577 2HG ARG 73 2HG ARG 73 -9.753 -7.127 -3.322 578 1HD ARG 73 1HD ARG 73 -11.457 -8.296 -5.035 579 2HD ARG 73 2HD ARG 73 -10.698 -9.766 -4.400 580 HE ARG 73 HE ARG 73 -12.533 -7.961 -3.094 581 1HH1 ARG 73 2HH2 ARG 73 -10.214 -10.515 -2.313 582 2HH1 ARG 73 1HH2 ARG 73 -10.123 -10.120 -0.625 583 1HH2 ARG 73 2HH1 ARG 73 -12.462 -7.468 -0.913 584 2HH2 ARG 73 1HH1 ARG 73 -11.791 -8.613 0.225 585 H ALA 74 H ALA 74 -7.791 -8.422 -8.832 586 HA ALA 74 HA ALA 74 -10.471 -9.254 -9.512 587 1HB ALA 74 1HB ALA 74 -9.532 -9.619 -11.740 588 2HB ALA 74 2HB ALA 74 -8.996 -8.060 -11.104 589 3HB ALA 74 3HB ALA 74 -7.884 -9.446 -11.104 590 H ASP 75 H ASP 75 -7.532 -10.833 -8.655 591 HA ASP 75 HA ASP 75 -7.606 -12.849 -7.368 592 1HB ASP 75 1HB ASP 75 -9.328 -13.957 -9.559 593 2HB ASP 75 2HB ASP 75 -8.092 -14.966 -8.865 594 H GLY 76 H GLY 76 -7.198 -13.333 -10.886 595 1HA GLY 76 1HA GLY 76 -4.619 -14.516 -10.497 596 2HA GLY 76 2HA GLY 76 -5.407 -14.162 -12.036 597 H ALA 77 H ALA 77 -4.736 -11.629 -9.662 598 HA ALA 77 HA ALA 77 -2.381 -10.655 -11.116 599 1HB ALA 77 1HB ALA 77 -4.918 -9.027 -10.762 600 2HB ALA 77 2HB ALA 77 -3.362 -8.389 -11.336 601 3HB ALA 77 3HB ALA 77 -4.225 -9.589 -12.300 602 H MET 78 H MET 78 -2.758 -11.911 -8.523 603 HA MET 78 HA MET 78 -1.396 -11.642 -6.552 604 1HB MET 78 1HB MET 78 -1.056 -8.771 -6.992 605 2HB MET 78 2HB MET 78 -0.145 -9.968 -6.109 606 1HG MET 78 1HG MET 78 -0.204 -10.829 -8.849 607 2HG MET 78 2HG MET 78 0.163 -9.117 -8.822 608 1HE MET 78 1HE MET 78 2.743 -12.661 -7.501 609 2HE MET 78 2HE MET 78 1.047 -12.503 -6.991 610 3HE MET 78 3HE MET 78 1.448 -12.622 -8.718 611 H SER 79 H SER 79 -4.386 -11.690 -6.679 612 HA SER 79 HA SER 79 -5.497 -9.735 -5.148 613 1HB SER 79 1HB SER 79 -7.223 -11.491 -4.574 614 2HB SER 79 2HB SER 79 -6.821 -11.286 -6.283 615 HG SER 79 HG SER 79 -6.015 -13.350 -4.505 616 H ALA 80 H ALA 80 -3.594 -12.437 -3.712 617 HA ALA 80 HA ALA 80 -4.577 -11.878 -1.045 618 1HB ALA 80 1HB ALA 80 -2.058 -13.359 -1.898 619 2HB ALA 80 2HB ALA 80 -2.860 -13.435 -0.319 620 3HB ALA 80 3HB ALA 80 -3.677 -14.091 -1.753 621 H LEU 81 H LEU 81 -2.349 -10.195 -3.051 622 HA LEU 81 HA LEU 81 -0.393 -9.360 -1.199 623 1HB LEU 81 1HB LEU 81 -1.510 -8.241 -3.786 624 2HB LEU 81 2HB LEU 81 -0.572 -7.215 -2.813 625 HG LEU 81 HG LEU 81 0.342 -9.796 -4.015 626 1HD1 LEU 81 1HD1 LEU 81 0.075 -7.473 -5.372 627 2HD1 LEU 81 2HD1 LEU 81 1.602 -7.094 -4.574 628 3HD1 LEU 81 3HD1 LEU 81 1.527 -8.483 -5.605 629 1HD2 LEU 81 1HD2 LEU 81 1.562 -9.552 -1.927 630 2HD2 LEU 81 2HD2 LEU 81 2.640 -9.076 -3.238 631 3HD2 LEU 81 3HD2 LEU 81 1.859 -7.833 -2.242 632 HA PRO 82 HA PRO 82 -3.069 -6.661 1.230 633 1HB PRO 82 1HB PRO 82 -1.203 -5.475 2.831 634 2HB PRO 82 2HB PRO 82 -1.755 -7.166 3.056 635 1HG PRO 82 1HG PRO 82 0.753 -6.194 1.676 636 2HG PRO 82 2HG PRO 82 0.582 -7.528 2.856 637 1HD PRO 82 1HD PRO 82 0.647 -7.940 0.146 638 2HD PRO 82 2HD PRO 82 -0.319 -8.976 1.240 639 H VAL 83 H VAL 83 -3.874 -5.058 -0.100 640 HA VAL 83 HA VAL 83 -2.045 -3.033 -1.225 641 HB VAL 83 HB VAL 83 -3.694 -2.359 -2.700 642 1HG1 VAL 83 1HG1 VAL 83 -4.445 -4.337 -3.893 643 2HG1 VAL 83 2HG1 VAL 83 -2.798 -4.591 -3.317 644 3HG1 VAL 83 3HG1 VAL 83 -4.185 -5.363 -2.491 645 1HG2 VAL 83 1HG2 VAL 83 -5.693 -2.132 -1.473 646 2HG2 VAL 83 2HG2 VAL 83 -5.988 -3.354 -2.693 647 3HG2 VAL 83 3HG2 VAL 83 -5.712 -3.872 -1.028 648 H LEU 84 H LEU 84 -1.370 -1.779 0.374 649 HA LEU 84 HA LEU 84 -3.315 -0.708 2.326 650 1HB LEU 84 1HB LEU 84 -1.123 -1.664 3.013 651 2HB LEU 84 2HB LEU 84 -0.305 -0.359 2.164 652 HG LEU 84 HG LEU 84 -1.040 1.271 3.721 653 1HD1 LEU 84 1HD1 LEU 84 -3.038 -0.757 4.819 654 2HD1 LEU 84 2HD1 LEU 84 -2.645 0.813 5.558 655 3HD1 LEU 84 3HD1 LEU 84 -3.401 0.782 3.984 656 1HD2 LEU 84 1HD2 LEU 84 0.711 -0.254 4.588 657 2HD2 LEU 84 2HD2 LEU 84 -0.309 0.349 5.900 658 3HD2 LEU 84 3HD2 LEU 84 -0.535 -1.300 5.294 659 H MET 85 H MET 85 -4.429 1.074 1.847 660 HA MET 85 HA MET 85 -3.459 2.840 -0.323 661 1HB MET 85 1HB MET 85 -5.933 3.005 1.388 662 2HB MET 85 2HB MET 85 -5.565 3.963 -0.045 663 1HG MET 85 1HG MET 85 -5.516 1.466 -1.134 664 2HG MET 85 2HG MET 85 -6.604 1.161 0.224 665 1HE MET 85 1HE MET 85 -8.598 0.582 -1.421 666 2HE MET 85 2HE MET 85 -9.031 1.584 -2.822 667 3HE MET 85 3HE MET 85 -7.443 0.785 -2.763 668 H VAL 86 H VAL 86 -2.236 4.637 0.245 669 HA VAL 86 HA VAL 86 -2.528 5.781 2.964 670 HB VAL 86 HB VAL 86 0.126 5.247 1.556 671 1HG1 VAL 86 1HG1 VAL 86 -0.530 6.447 4.290 672 2HG1 VAL 86 2HG1 VAL 86 1.096 6.028 3.716 673 3HG1 VAL 86 3HG1 VAL 86 0.183 7.293 2.899 674 1HG2 VAL 86 1HG2 VAL 86 -0.985 3.926 4.074 675 2HG2 VAL 86 2HG2 VAL 86 -0.797 3.155 2.490 676 3HG2 VAL 86 3HG2 VAL 86 0.633 3.692 3.383 677 H THR 87 H THR 87 -3.277 7.817 2.646 678 HA THR 87 HA THR 87 -2.083 9.417 0.511 679 HB THR 87 HB THR 87 -3.850 8.225 -0.633 680 HG1 THR 87 1HG THR 87 -4.066 9.919 -1.657 681 1HG2 THR 87 1HG2 THR 87 -5.820 9.387 1.365 682 2HG2 THR 87 2HG2 THR 87 -6.216 8.596 -0.166 683 3HG2 THR 87 3HG2 THR 87 -5.441 7.667 1.124 684 H ALA 88 H ALA 88 -3.469 11.588 0.577 685 HA ALA 88 HA ALA 88 -3.196 12.589 3.360 686 1HB ALA 88 1HB ALA 88 -2.869 14.759 2.303 687 2HB ALA 88 2HB ALA 88 -1.845 13.609 1.438 688 3HB ALA 88 3HB ALA 88 -3.384 14.135 0.725 689 H GLU 89 H GLU 89 -5.652 11.915 0.904 690 HA GLU 89 HA GLU 89 -7.513 13.841 2.169 691 1HB GLU 89 1HB GLU 89 -7.838 12.074 -0.292 692 2HB GLU 89 2HB GLU 89 -9.020 13.225 0.354 693 1HG GLU 89 1HG GLU 89 -6.938 14.915 0.176 694 2HG GLU 89 2HG GLU 89 -6.421 13.763 -1.061 695 H ALA 90 H ALA 90 -9.518 13.185 2.995 696 HA ALA 90 HA ALA 90 -9.617 10.407 4.008 697 1HB ALA 90 1HB ALA 90 -11.407 11.210 5.462 698 2HB ALA 90 2HB ALA 90 -9.959 12.220 5.624 699 3HB ALA 90 3HB ALA 90 -11.339 12.817 4.692 700 H LYS 91 H LYS 91 -12.231 12.570 2.839 701 HA LYS 91 HA LYS 91 -14.173 12.086 1.812 702 1HB LYS 91 1HB LYS 91 -12.579 11.982 -0.134 703 2HB LYS 91 2HB LYS 91 -12.518 10.249 0.074 704 1HG LYS 91 1HG LYS 91 -14.228 10.202 -1.423 705 2HG LYS 91 2HG LYS 91 -15.231 10.574 -0.037 706 1HD LYS 91 1HD LYS 91 -15.872 12.133 -1.657 707 2HD LYS 91 2HD LYS 91 -14.793 13.067 -0.601 708 1HE LYS 91 1HE LYS 91 -12.914 12.683 -2.204 709 2HE LYS 91 2HE LYS 91 -13.990 11.698 -3.214 710 1HZ LYS 91 1HZ LYS 91 -14.274 14.603 -2.700 711 2HZ LYS 91 2HZ LYS 91 -13.927 13.871 -4.137 712 3HZ LYS 91 3HZ LYS 91 -15.393 13.683 -3.452 713 H LYS 92 H LYS 92 -15.525 11.068 3.283 714 HA LYS 92 HA LYS 92 -15.007 8.495 4.354 715 1HB LYS 92 1HB LYS 92 -16.797 10.292 5.066 716 2HB LYS 92 2HB LYS 92 -17.852 9.416 3.944 717 1HG LYS 92 1HG LYS 92 -16.959 7.285 5.257 718 2HG LYS 92 2HG LYS 92 -16.507 8.464 6.486 719 1HD LYS 92 1HD LYS 92 -18.922 9.268 6.468 720 2HD LYS 92 2HD LYS 92 -19.303 7.922 5.385 721 1HE LYS 92 1HE LYS 92 -18.197 7.765 8.220 722 2HE LYS 92 2HE LYS 92 -19.832 7.338 7.700 723 1HZ LYS 92 1HZ LYS 92 -18.897 5.480 6.461 724 2HZ LYS 92 2HZ LYS 92 -17.352 5.891 6.953 725 3HZ LYS 92 3HZ LYS 92 -18.464 5.394 8.008 726 H GLU 93 H GLU 93 -16.757 9.442 1.363 727 HA GLU 93 HA GLU 93 -17.749 6.876 0.767 728 1HB GLU 93 1HB GLU 93 -18.312 9.105 -0.243 729 2HB GLU 93 2HB GLU 93 -16.836 9.010 -1.219 730 1HG GLU 93 1HG GLU 93 -17.630 7.027 -2.342 731 2HG GLU 93 2HG GLU 93 -18.970 6.830 -1.200 732 H ASN 94 H ASN 94 -14.482 8.211 0.280 733 HA ASN 94 HA ASN 94 -13.467 6.041 -1.360 734 1HB ASN 94 1HB ASN 94 -12.007 7.998 0.473 735 2HB ASN 94 2HB ASN 94 -11.233 6.735 -0.435 736 1HD2 ASN 94 1HD2 ASN 94 -10.189 9.013 -0.951 737 2HD2 ASN 94 2HD2 ASN 94 -10.670 9.577 -2.552 738 H ILE 95 H ILE 95 -13.544 6.804 2.162 739 HA ILE 95 HA ILE 95 -12.236 4.407 2.997 740 HB ILE 95 HB ILE 95 -14.215 6.203 4.441 741 1HG1 ILE 95 1HG1 ILE 95 -12.201 6.319 6.017 742 2HG1 ILE 95 2HG1 ILE 95 -11.268 5.509 4.770 743 1HG2 ILE 95 1HG2 ILE 95 -14.789 4.013 5.310 744 2HG2 ILE 95 2HG2 ILE 95 -13.078 3.590 5.501 745 3HG2 ILE 95 3HG2 ILE 95 -13.820 4.852 6.510 746 1HD1 ILE 95 1HD1 ILE 95 -11.672 7.429 3.257 747 2HD1 ILE 95 2HD1 ILE 95 -12.724 8.182 4.485 748 3HD1 ILE 95 3HD1 ILE 95 -10.995 7.988 4.793 749 H ILE 96 H ILE 96 -15.764 4.944 2.459 750 HA ILE 96 HA ILE 96 -16.578 2.281 3.037 751 HB ILE 96 HB ILE 96 -17.787 4.395 1.212 752 1HG1 ILE 96 1HG1 ILE 96 -19.754 3.922 2.911 753 2HG1 ILE 96 2HG1 ILE 96 -18.513 3.155 3.899 754 1HG2 ILE 96 1HG2 ILE 96 -18.904 1.609 1.678 755 2HG2 ILE 96 2HG2 ILE 96 -19.767 2.967 0.913 756 3HG2 ILE 96 3HG2 ILE 96 -18.368 2.290 0.122 757 1HD1 ILE 96 1HD1 ILE 96 -19.085 5.544 4.455 758 2HD1 ILE 96 2HD1 ILE 96 -17.365 5.242 4.157 759 3HD1 ILE 96 3HD1 ILE 96 -18.399 6.023 2.907 760 H ALA 97 H ALA 97 -15.668 3.721 -0.147 761 HA ALA 97 HA ALA 97 -16.004 1.391 -1.652 762 1HB ALA 97 1HB ALA 97 -15.723 3.569 -2.702 763 2HB ALA 97 2HB ALA 97 -14.111 3.726 -1.994 764 3HB ALA 97 3HB ALA 97 -14.443 2.513 -3.266 765 H ALA 98 H ALA 98 -12.990 2.575 -0.040 766 HA ALA 98 HA ALA 98 -11.332 0.465 -0.987 767 1HB ALA 98 1HB ALA 98 -9.821 1.133 0.901 768 2HB ALA 98 2HB ALA 98 -10.398 2.531 -0.014 769 3HB ALA 98 3HB ALA 98 -11.118 2.157 1.561 770 H ALA 99 H ALA 99 -13.295 0.776 2.044 771 HA ALA 99 HA ALA 99 -12.477 -1.761 3.128 772 1HB ALA 99 1HB ALA 99 -14.971 -0.053 3.605 773 2HB ALA 99 2HB ALA 99 -14.443 -1.402 4.623 774 3HB ALA 99 3HB ALA 99 -13.440 0.055 4.501 775 H GLN 100 H GLN 100 -15.078 -0.784 0.928 776 HA GLN 100 HA GLN 100 -16.547 -3.232 0.883 777 1HB GLN 100 1HB GLN 100 -16.340 -0.748 -0.850 778 2HB GLN 100 2HB GLN 100 -17.245 -2.123 -1.437 779 1HG GLN 100 1HG GLN 100 -17.809 -1.011 1.342 780 2HG GLN 100 2HG GLN 100 -18.472 -0.247 -0.100 781 1HE2 GLN 100 1HE2 GLN 100 -18.807 -3.065 2.055 782 2HE2 GLN 100 2HE2 GLN 100 -20.076 -3.792 1.122 783 H ALA 101 H ALA 101 -14.124 -1.867 -1.467 784 HA ALA 101 HA ALA 101 -13.906 -4.195 -3.066 785 1HB ALA 101 1HB ALA 101 -11.868 -2.042 -2.350 786 2HB ALA 101 2HB ALA 101 -11.683 -3.245 -3.654 787 3HB ALA 101 3HB ALA 101 -12.973 -2.026 -3.732 788 H GLY 102 H GLY 102 -12.174 -3.154 -0.101 789 1HA GLY 102 1HA GLY 102 -12.031 -4.687 1.726 790 2HA GLY 102 2HA GLY 102 -11.739 -6.015 0.609 791 H ALA 103 H ALA 103 -10.262 -2.754 0.801 792 HA ALA 103 HA ALA 103 -7.673 -3.649 0.088 793 1HB ALA 103 1HB ALA 103 -8.844 -1.226 0.076 794 2HB ALA 103 2HB ALA 103 -8.086 -1.070 1.649 795 3HB ALA 103 3HB ALA 103 -7.093 -1.376 0.208 796 H SER 104 H SER 104 -5.664 -3.326 1.502 797 HA SER 104 HA SER 104 -5.589 -4.788 3.920 798 1HB SER 104 1HB SER 104 -3.605 -4.340 2.603 799 2HB SER 104 2HB SER 104 -3.823 -2.597 2.823 800 HG SER 104 HG SER 104 -2.221 -3.607 4.162 801 H GLY 105 H GLY 105 -5.911 -1.277 3.274 802 1HA GLY 105 1HA GLY 105 -7.905 -0.774 5.065 803 2HA GLY 105 2HA GLY 105 -6.397 -0.415 5.951 804 H TYR 106 H TYR 106 -8.006 1.687 5.465 805 HA TYR 106 HA TYR 106 -6.602 3.189 3.331 806 1HB TYR 106 1HB TYR 106 -9.218 3.145 3.576 807 2HB TYR 106 2HB TYR 106 -8.942 4.208 4.956 808 HD1 TYR 106 1HD TYR 106 -7.876 3.766 1.396 809 HD2 TYR 106 2HD TYR 106 -9.102 6.557 4.433 810 HE1 TYR 106 1HE TYR 106 -7.613 5.598 -0.194 811 HE2 TYR 106 2HE TYR 106 -9.175 8.355 2.720 812 HH TYR 106 HH TYR 106 -8.230 7.800 -0.680 813 H VAL 107 H VAL 107 -5.174 4.794 3.976 814 HA VAL 107 HA VAL 107 -5.025 5.509 6.856 815 HB VAL 107 HB VAL 107 -2.763 4.903 4.908 816 1HG1 VAL 107 1HG1 VAL 107 -2.168 6.841 6.276 817 2HG1 VAL 107 2HG1 VAL 107 -2.634 5.963 7.755 818 3HG1 VAL 107 3HG1 VAL 107 -1.239 5.432 6.780 819 1HG2 VAL 107 1HG2 VAL 107 -3.445 3.627 7.574 820 2HG2 VAL 107 2HG2 VAL 107 -3.730 2.879 5.975 821 3HG2 VAL 107 3HG2 VAL 107 -2.078 3.200 6.525 822 H VAL 108 H VAL 108 -5.141 7.671 7.125 823 HA VAL 108 HA VAL 108 -4.835 9.420 4.755 824 HB VAL 108 HB VAL 108 -6.736 9.863 7.098 825 1HG1 VAL 108 1HG1 VAL 108 -6.024 11.936 6.039 826 2HG1 VAL 108 2HG1 VAL 108 -6.296 11.263 4.435 827 3HG1 VAL 108 3HG1 VAL 108 -7.666 11.588 5.519 828 1HG2 VAL 108 1HG2 VAL 108 -7.555 7.933 5.813 829 2HG2 VAL 108 2HG2 VAL 108 -8.554 9.349 5.527 830 3HG2 VAL 108 3HG2 VAL 108 -7.360 8.850 4.302 831 H LYS 109 H LYS 109 -3.385 11.095 5.119 832 HA LYS 109 HA LYS 109 -1.764 11.249 7.461 833 1HB LYS 109 1HB LYS 109 -2.507 13.330 5.391 834 2HB LYS 109 2HB LYS 109 -1.345 13.637 6.698 835 1HG LYS 109 1HG LYS 109 0.092 11.822 5.912 836 2HG LYS 109 2HG LYS 109 -1.084 11.377 4.668 837 1HD LYS 109 1HD LYS 109 0.781 12.590 3.711 838 2HD LYS 109 2HD LYS 109 -0.716 13.489 3.486 839 1HE LYS 109 1HE LYS 109 1.047 14.051 5.880 840 2HE LYS 109 2HE LYS 109 1.506 14.673 4.294 841 1HZ LYS 109 1HZ LYS 109 -0.314 15.996 4.151 842 2HZ LYS 109 2HZ LYS 109 -1.201 15.256 5.271 843 3HZ LYS 109 3HZ LYS 109 0.076 16.174 5.741 844 HA PRO 110 HA PRO 110 -0.875 12.598 9.144 845 1HB PRO 110 1HB PRO 110 -0.964 12.579 11.854 846 2HB PRO 110 2HB PRO 110 -1.123 14.087 10.910 847 1HG PRO 110 1HG PRO 110 -3.362 12.398 12.070 848 2HG PRO 110 2HG PRO 110 -3.107 14.160 12.221 849 1HD PRO 110 1HD PRO 110 -4.749 13.074 10.307 850 2HD PRO 110 2HD PRO 110 -3.778 14.539 9.979 851 H PHE 111 H PHE 111 0.081 10.667 9.117 852 HA PHE 111 HA PHE 111 -0.960 8.467 10.795 853 1HB PHE 111 1HB PHE 111 -0.609 6.819 9.094 854 2HB PHE 111 2HB PHE 111 -1.702 8.037 8.466 855 HD1 PHE 111 1HD PHE 111 -1.106 9.318 6.485 856 HD2 PHE 111 2HD PHE 111 1.769 6.680 8.336 857 HE1 PHE 111 1HE PHE 111 0.414 9.589 4.540 858 HE2 PHE 111 2HE PHE 111 3.267 6.971 6.384 859 HZ PHE 111 HZ PHE 111 2.608 8.443 4.522 860 H THR 112 H THR 112 0.660 6.927 11.325 861 HA THR 112 HA THR 112 3.475 7.707 11.335 862 HB THR 112 HB THR 112 3.134 7.416 13.949 863 HG1 THR 112 1HG THR 112 1.196 8.005 14.713 864 1HG2 THR 112 1HG2 THR 112 2.702 9.849 14.230 865 2HG2 THR 112 2HG2 THR 112 3.970 9.486 13.042 866 3HG2 THR 112 3HG2 THR 112 2.369 9.980 12.495 867 H ALA 113 H ALA 113 4.624 5.971 12.821 868 HA ALA 113 HA ALA 113 4.107 3.391 11.693 869 1HB ALA 113 1HB ALA 113 6.355 4.032 12.363 870 2HB ALA 113 2HB ALA 113 5.822 4.264 14.039 871 3HB ALA 113 3HB ALA 113 5.822 2.644 13.325 872 H ALA 114 H ALA 114 3.247 5.021 14.748 873 HA ALA 114 HA ALA 114 2.033 2.895 16.099 874 1HB ALA 114 1HB ALA 114 0.829 4.625 17.345 875 2HB ALA 114 2HB ALA 114 2.502 5.147 17.061 876 3HB ALA 114 3HB ALA 114 1.170 5.817 16.078 877 H THR 115 H THR 115 0.801 4.339 13.140 878 HA THR 115 HA THR 115 -1.738 2.891 13.687 879 HB THR 115 HB THR 115 -1.718 5.462 13.200 880 HG1 THR 115 1HG THR 115 -3.707 5.083 13.097 881 1HG2 THR 115 1HG2 THR 115 -0.557 5.405 11.022 882 2HG2 THR 115 2HG2 THR 115 -1.853 4.391 10.353 883 3HG2 THR 115 3HG2 THR 115 -2.205 6.041 10.894 884 H LEU 116 H LEU 116 0.994 3.295 11.463 885 HA LEU 116 HA LEU 116 0.308 1.533 9.381 886 1HB LEU 116 1HB LEU 116 2.357 3.079 9.703 887 2HB LEU 116 2HB LEU 116 3.023 1.808 10.711 888 HG LEU 116 HG LEU 116 4.099 1.731 8.656 889 1HD1 LEU 116 1HD1 LEU 116 2.124 -0.552 8.436 890 2HD1 LEU 116 2HD1 LEU 116 3.806 -0.489 7.897 891 3HD1 LEU 116 3HD1 LEU 116 3.454 -0.485 9.626 892 1HD2 LEU 116 1HD2 LEU 116 2.535 2.923 7.210 893 2HD2 LEU 116 2HD2 LEU 116 3.072 1.411 6.474 894 3HD2 LEU 116 3HD2 LEU 116 1.449 1.507 7.187 895 H GLU 117 H GLU 117 1.863 0.875 12.559 896 HA GLU 117 HA GLU 117 2.280 -1.846 12.336 897 1HB GLU 117 1HB GLU 117 2.649 -1.785 14.683 898 2HB GLU 117 2HB GLU 117 3.157 -0.256 14.027 899 1HG GLU 117 1HG GLU 117 2.095 0.495 15.886 900 2HG GLU 117 2HG GLU 117 0.777 0.618 14.732 901 H GLU 118 H GLU 118 -0.721 -0.183 13.179 902 HA GLU 118 HA GLU 118 -2.057 -2.633 14.027 903 1HB GLU 118 1HB GLU 118 -2.608 -0.359 14.886 904 2HB GLU 118 2HB GLU 118 -3.162 0.100 13.287 905 1HG GLU 118 1HG GLU 118 -4.849 -1.794 13.417 906 2HG GLU 118 2HG GLU 118 -4.343 -2.076 15.076 907 H LYS 119 H LYS 119 -1.660 -0.803 10.990 908 HA LYS 119 HA LYS 119 -3.657 -2.352 9.509 909 1HB LYS 119 1HB LYS 119 -1.220 -0.957 8.347 910 2HB LYS 119 2HB LYS 119 -2.643 -1.519 7.490 911 1HG LYS 119 1HG LYS 119 -2.511 0.786 9.468 912 2HG LYS 119 2HG LYS 119 -2.662 0.904 7.735 913 1HD LYS 119 1HD LYS 119 -4.914 -0.256 7.900 914 2HD LYS 119 2HD LYS 119 -4.731 -0.197 9.668 915 1HE LYS 119 1HE LYS 119 -4.219 2.375 9.198 916 2HE LYS 119 2HE LYS 119 -5.107 2.073 7.694 917 1HZ LYS 119 1HZ LYS 119 -6.058 1.825 10.469 918 2HZ LYS 119 2HZ LYS 119 -6.581 2.881 9.368 919 3HZ LYS 119 3HZ LYS 119 -6.945 1.276 9.180 920 H LEU 120 H LEU 120 -0.128 -2.610 10.120 921 HA LEU 120 HA LEU 120 0.306 -5.036 8.702 922 1HB LEU 120 1HB LEU 120 1.629 -4.272 11.326 923 2HB LEU 120 2HB LEU 120 2.143 -5.507 10.204 924 HG LEU 120 HG LEU 120 2.174 -2.531 9.712 925 1HD1 LEU 120 1HD1 LEU 120 4.446 -4.527 10.079 926 2HD1 LEU 120 2HD1 LEU 120 4.621 -2.789 9.769 927 3HD1 LEU 120 3HD1 LEU 120 3.900 -3.354 11.286 928 1HD2 LEU 120 1HD2 LEU 120 3.442 -3.087 7.629 929 2HD2 LEU 120 2HD2 LEU 120 3.075 -4.805 7.892 930 3HD2 LEU 120 3HD2 LEU 120 1.763 -3.639 7.580 931 H ASN 121 H ASN 121 -0.579 -4.588 12.189 932 HA ASN 121 HA ASN 121 -0.845 -7.305 12.761 933 1HB ASN 121 1HB ASN 121 -0.830 -5.453 14.414 934 2HB ASN 121 2HB ASN 121 -2.506 -5.068 13.978 935 1HD2 ASN 121 1HD2 ASN 121 -3.938 -5.958 15.567 936 2HD2 ASN 121 2HD2 ASN 121 -3.675 -7.549 16.245 937 H LYS 122 H LYS 122 -3.279 -5.164 11.299 938 HA LYS 122 HA LYS 122 -5.390 -7.131 11.290 939 1HB LYS 122 1HB LYS 122 -4.896 -4.554 9.814 940 2HB LYS 122 2HB LYS 122 -6.126 -5.674 9.196 941 1HG LYS 122 1HG LYS 122 -7.328 -5.711 11.255 942 2HG LYS 122 2HG LYS 122 -6.043 -4.877 12.129 943 1HD LYS 122 1HD LYS 122 -7.599 -3.570 9.865 944 2HD LYS 122 2HD LYS 122 -8.088 -3.516 11.564 945 1HE LYS 122 1HE LYS 122 -5.597 -2.787 11.968 946 2HE LYS 122 2HE LYS 122 -5.629 -2.296 10.274 947 1HZ LYS 122 1HZ LYS 122 -7.564 -1.406 12.336 948 2HZ LYS 122 2HZ LYS 122 -6.270 -0.548 11.955 949 3HZ LYS 122 3HZ LYS 122 -7.445 -0.818 10.796 950 H ILE 123 H ILE 123 -3.038 -6.283 8.618 951 HA ILE 123 HA ILE 123 -4.093 -8.482 7.103 952 HB ILE 123 HB ILE 123 -2.144 -8.158 5.591 953 1HG1 ILE 123 1HG1 ILE 123 -1.318 -6.181 7.716 954 2HG1 ILE 123 2HG1 ILE 123 -0.365 -7.483 7.031 955 1HG2 ILE 123 1HG2 ILE 123 -4.353 -6.938 5.489 956 2HG2 ILE 123 2HG2 ILE 123 -3.569 -5.573 6.327 957 3HG2 ILE 123 3HG2 ILE 123 -3.004 -6.110 4.729 958 1HD1 ILE 123 1HD1 ILE 123 0.343 -5.250 6.336 959 2HD1 ILE 123 2HD1 ILE 123 -0.204 -6.191 4.927 960 3HD1 ILE 123 3HD1 ILE 123 -1.220 -4.903 5.635 961 H PHE 124 H PHE 124 -1.457 -8.392 9.492 962 HA PHE 124 HA PHE 124 -0.398 -10.979 9.060 963 1HB PHE 124 1HB PHE 124 -0.934 -9.541 11.678 964 2HB PHE 124 2HB PHE 124 0.018 -10.999 11.509 965 HD1 PHE 124 1HD PHE 124 1.433 -9.756 8.800 966 HD2 PHE 124 2HD PHE 124 0.954 -8.627 12.938 967 HE1 PHE 124 1HE PHE 124 3.505 -8.440 8.679 968 HE2 PHE 124 2HE PHE 124 3.015 -7.285 12.802 969 HZ PHE 124 HZ PHE 124 4.316 -7.193 10.675 970 H GLU 125 H GLU 125 -3.022 -10.018 11.344 971 HA GLU 125 HA GLU 125 -3.607 -12.741 11.874 972 1HB GLU 125 1HB GLU 125 -5.116 -10.118 12.315 973 2HB GLU 125 2HB GLU 125 -5.679 -11.641 12.974 974 1HG GLU 125 1HG GLU 125 -2.868 -10.678 13.633 975 2HG GLU 125 2HG GLU 125 -4.267 -9.980 14.444 976 H LYS 126 H LYS 126 -5.063 -10.440 9.645 977 HA LYS 126 HA LYS 126 -7.451 -12.022 9.161 978 1HB LYS 126 1HB LYS 126 -7.216 -9.481 9.158 979 2HB LYS 126 2HB LYS 126 -6.432 -9.610 7.592 980 1HG LYS 126 1HG LYS 126 -9.254 -10.320 8.394 981 2HG LYS 126 2HG LYS 126 -8.732 -9.002 7.358 982 1HD LYS 126 1HD LYS 126 -7.868 -11.082 5.844 983 2HD LYS 126 2HD LYS 126 -9.137 -11.913 6.711 984 1HE LYS 126 1HE LYS 126 -9.435 -9.276 5.219 985 2HE LYS 126 2HE LYS 126 -9.788 -10.844 4.497 986 1HZ LYS 126 1HZ LYS 126 -11.651 -11.113 5.881 987 2HZ LYS 126 2HZ LYS 126 -11.176 -9.972 6.969 988 3HZ LYS 126 3HZ LYS 126 -11.714 -9.553 5.475 989 H LEU 127 H LEU 127 -4.672 -11.001 7.044 990 HA LEU 127 HA LEU 127 -5.575 -12.868 4.987 991 1HB LEU 127 1HB LEU 127 -2.908 -11.497 4.947 992 2HB LEU 127 2HB LEU 127 -3.877 -12.057 3.614 993 HG LEU 127 HG LEU 127 -4.021 -9.496 5.159 994 1HD1 LEU 127 1HD1 LEU 127 -4.154 -10.097 2.185 995 2HD1 LEU 127 2HD1 LEU 127 -4.023 -8.494 2.935 996 3HD1 LEU 127 3HD1 LEU 127 -2.693 -9.655 3.082 997 1HD2 LEU 127 1HD2 LEU 127 -6.267 -9.801 5.340 998 2HD2 LEU 127 2HD2 LEU 127 -6.176 -8.978 3.810 999 3HD2 LEU 127 3HD2 LEU 127 -6.415 -10.741 3.833 1000 H GLY 128 H GLY 128 -3.315 -12.902 7.699 1001 1HA GLY 128 1HA GLY 128 -2.205 -14.830 8.496 1002 2HA GLY 128 2HA GLY 128 -2.284 -15.561 6.886 1003 H MET 129 H MET 129 -1.384 -12.120 7.348 1004 HA MET 129 HA MET 129 1.022 -12.677 5.756 1005 1HB MET 129 2HB MET 129 0.036 -10.100 7.016 1006 2HB MET 129 3HB MET 129 1.586 -10.249 6.211 1007 1HG MET 129 2HG MET 129 -1.137 -10.487 4.953 1008 2HG MET 129 3HG MET 129 0.066 -9.243 4.724 1009 1HE MET 129 1HE MET 129 -0.318 -13.157 2.431 1010 2HE MET 129 2HE MET 129 -0.753 -13.048 4.149 1011 3HE MET 129 3HE MET 129 -1.592 -12.040 2.942 Start of MODEL 17 1 1H MET 1 H MET 1 18.813 -14.699 1.708 2 2H MET 1 2HN MET 1 20.221 -14.109 2.313 3 3H MET 1 3HN MET 1 19.946 -14.044 0.686 4 HA MET 1 HA MET 1 21.469 -15.721 1.069 5 1HB MET 1 2HB MET 1 20.857 -16.120 3.463 6 2HB MET 1 3HB MET 1 19.451 -17.049 2.926 7 1HG MET 1 2HG MET 1 21.036 -18.493 1.555 8 2HG MET 1 3HG MET 1 22.376 -17.607 2.271 9 1HE MET 1 1HE MET 1 23.034 -17.784 4.860 10 2HE MET 1 2HE MET 1 21.380 -17.350 5.358 11 3HE MET 1 3HE MET 1 22.154 -18.794 6.032 12 H ALA 2 H ALA 2 18.032 -16.797 1.236 13 HA ALA 2 HA ALA 2 17.795 -17.353 -1.528 14 1HB ALA 2 1HB ALA 2 17.796 -19.743 0.381 15 2HB ALA 2 2HB ALA 2 17.251 -19.754 -1.310 16 3HB ALA 2 3HB ALA 2 18.957 -19.473 -0.935 17 H ASP 3 H ASP 3 16.049 -15.977 -1.349 18 HA ASP 3 HA ASP 3 13.959 -16.455 0.691 19 1HB ASP 3 1HB ASP 3 15.705 -13.950 0.518 20 2HB ASP 3 2HB ASP 3 14.265 -14.119 1.523 21 H LYS 4 H LYS 4 12.118 -15.058 0.336 22 HA LYS 4 HA LYS 4 11.693 -14.104 -2.428 23 1HB LYS 4 1HB LYS 4 9.967 -14.095 0.088 24 2HB LYS 4 2HB LYS 4 9.488 -13.358 -1.436 25 1HG LYS 4 1HG LYS 4 8.426 -15.420 -1.428 26 2HG LYS 4 2HG LYS 4 9.757 -15.598 -2.571 27 1HD LYS 4 1HD LYS 4 11.026 -16.879 -0.885 28 2HD LYS 4 2HD LYS 4 9.745 -16.585 0.321 29 1HE LYS 4 1HE LYS 4 8.142 -17.818 -1.078 30 2HE LYS 4 2HE LYS 4 9.358 -18.004 -2.347 31 1HZ LYS 4 1HZ LYS 4 9.503 -19.197 0.354 32 2HZ LYS 4 2HZ LYS 4 9.231 -19.978 -1.082 33 3HZ LYS 4 3HZ LYS 4 10.690 -19.294 -0.802 34 H GLU 5 H GLU 5 13.050 -12.953 0.457 35 HA GLU 5 HA GLU 5 13.750 -10.944 1.238 36 1HB GLU 5 1HB GLU 5 13.849 -10.268 -1.727 37 2HB GLU 5 2HB GLU 5 14.771 -9.495 -0.426 38 1HG GLU 5 1HG GLU 5 16.048 -11.547 -0.067 39 2HG GLU 5 2HG GLU 5 15.079 -12.413 -1.263 40 H LEU 6 H LEU 6 11.116 -11.162 1.535 41 HA LEU 6 HA LEU 6 9.217 -10.301 0.164 42 1HB LEU 6 1HB LEU 6 8.994 -10.897 2.604 43 2HB LEU 6 2HB LEU 6 9.197 -9.181 2.964 44 HG LEU 6 HG LEU 6 7.298 -9.060 0.934 45 1HD1 LEU 6 1HD1 LEU 6 6.749 -11.647 2.411 46 2HD1 LEU 6 2HD1 LEU 6 5.610 -10.806 1.357 47 3HD1 LEU 6 3HD1 LEU 6 7.117 -11.450 0.689 48 1HD2 LEU 6 1HD2 LEU 6 6.787 -9.324 3.891 49 2HD2 LEU 6 2HD2 LEU 6 7.150 -7.856 2.944 50 3HD2 LEU 6 3HD2 LEU 6 5.632 -8.713 2.676 51 H LYS 7 H LYS 7 8.978 -8.870 -1.269 52 HA LYS 7 HA LYS 7 10.367 -6.321 -1.024 53 1HB LYS 7 1HB LYS 7 10.555 -7.972 -2.961 54 2HB LYS 7 2HB LYS 7 8.939 -7.452 -3.465 55 1HG LYS 7 1HG LYS 7 9.780 -5.113 -3.652 56 2HG LYS 7 2HG LYS 7 11.385 -5.640 -3.127 57 1HD LYS 7 1HD LYS 7 10.006 -6.789 -5.561 58 2HD LYS 7 2HD LYS 7 11.016 -5.348 -5.634 59 1HE LYS 7 1HE LYS 7 12.013 -8.025 -4.612 60 2HE LYS 7 2HE LYS 7 12.148 -7.494 -6.292 61 1HZ LYS 7 1HZ LYS 7 13.383 -6.099 -3.983 62 2HZ LYS 7 2HZ LYS 7 14.170 -7.003 -5.088 63 3HZ LYS 7 3HZ LYS 7 13.481 -5.605 -5.544 64 H PHE 8 H PHE 8 9.421 -4.343 -0.949 65 HA PHE 8 HA PHE 8 6.445 -4.287 -0.514 66 1HB PHE 8 1HB PHE 8 8.802 -2.951 0.787 67 2HB PHE 8 2HB PHE 8 7.341 -1.992 0.593 68 HD1 PHE 8 1HD PHE 8 5.446 -2.260 1.961 69 HD2 PHE 8 2HD PHE 8 8.638 -5.168 2.120 70 HE1 PHE 8 1HE PHE 8 4.461 -3.228 4.018 71 HE2 PHE 8 2HE PHE 8 7.631 -6.112 4.152 72 HZ PHE 8 HZ PHE 8 5.561 -5.163 5.125 73 H LEU 9 H LEU 9 5.490 -3.576 -2.461 74 HA LEU 9 HA LEU 9 6.889 -1.448 -3.946 75 1HB LEU 9 1HB LEU 9 5.611 -3.193 -5.215 76 2HB LEU 9 2HB LEU 9 4.136 -2.647 -4.407 77 HG LEU 9 HG LEU 9 4.508 -0.352 -5.359 78 1HD1 LEU 9 1HD1 LEU 9 6.101 -0.137 -7.298 79 2HD1 LEU 9 2HD1 LEU 9 6.908 -0.286 -5.753 80 3HD1 LEU 9 3HD1 LEU 9 6.813 -1.697 -6.835 81 1HD2 LEU 9 1HD2 LEU 9 4.421 -2.583 -7.407 82 2HD2 LEU 9 2HD2 LEU 9 3.044 -1.945 -6.481 83 3HD2 LEU 9 3HD2 LEU 9 3.880 -0.904 -7.630 84 H VAL 10 H VAL 10 6.435 0.669 -3.634 85 HA VAL 10 HA VAL 10 4.141 1.444 -1.893 86 HB VAL 10 HB VAL 10 6.966 2.531 -1.733 87 1HG1 VAL 10 1HG1 VAL 10 6.158 3.561 0.408 88 2HG1 VAL 10 2HG1 VAL 10 5.327 4.136 -1.035 89 3HG1 VAL 10 3HG1 VAL 10 4.522 2.985 0.033 90 1HG2 VAL 10 1HG2 VAL 10 5.625 0.530 0.147 91 2HG2 VAL 10 2HG2 VAL 10 7.097 0.270 -0.816 92 3HG2 VAL 10 3HG2 VAL 10 7.124 1.412 0.523 93 H VAL 11 H VAL 11 2.902 2.813 -3.106 94 HA VAL 11 HA VAL 11 4.187 4.649 -5.056 95 HB VAL 11 HB VAL 11 1.569 3.242 -5.731 96 1HG1 VAL 11 1HG1 VAL 11 2.203 5.228 -7.015 97 2HG1 VAL 11 2HG1 VAL 11 3.766 4.500 -7.395 98 3HG1 VAL 11 3HG1 VAL 11 2.276 3.759 -7.999 99 1HG2 VAL 11 1HG2 VAL 11 2.911 1.631 -7.093 100 2HG2 VAL 11 2HG2 VAL 11 4.363 2.144 -6.231 101 3HG2 VAL 11 3HG2 VAL 11 3.010 1.358 -5.365 102 H ASP 12 H ASP 12 3.774 5.698 -2.634 103 HA ASP 12 HA ASP 12 1.209 6.922 -2.359 104 1HB ASP 12 1HB ASP 12 3.870 8.151 -1.583 105 2HB ASP 12 2HB ASP 12 2.276 8.604 -1.022 106 H ASP 13 H ASP 13 0.571 8.965 -3.211 107 HA ASP 13 HA ASP 13 1.657 9.823 -5.777 108 1HB ASP 13 1HB ASP 13 -0.645 10.191 -5.570 109 2HB ASP 13 2HB ASP 13 -0.519 10.692 -3.884 110 H PHE 14 H PHE 14 1.417 11.322 -2.536 111 HA PHE 14 HA PHE 14 3.243 13.461 -3.202 112 1HB PHE 14 1HB PHE 14 1.457 13.800 -1.607 113 2HB PHE 14 2HB PHE 14 1.992 12.457 -0.632 114 HD1 PHE 14 1HD PHE 14 2.615 13.281 1.457 115 HD2 PHE 14 2HD PHE 14 3.831 15.444 -2.079 116 HE1 PHE 14 1HE PHE 14 3.929 14.795 2.846 117 HE2 PHE 14 2HE PHE 14 5.116 17.007 -0.652 118 HZ PHE 14 HZ PHE 14 5.156 16.718 1.800 119 H SER 15 H SER 15 5.395 13.009 -3.528 120 HA SER 15 HA SER 15 6.726 10.751 -2.891 121 1HB SER 15 1HB SER 15 7.973 13.532 -2.921 122 2HB SER 15 2HB SER 15 8.811 11.994 -3.213 123 HG SER 15 HG SER 15 7.376 11.652 -4.967 124 H THR 16 H THR 16 6.768 13.654 -0.673 125 HA THR 16 HA THR 16 8.407 12.304 1.228 126 HB THR 16 HB THR 16 6.605 14.696 1.433 127 HG1 THR 16 1HG THR 16 8.292 15.249 0.348 128 1HG2 THR 16 1HG2 THR 16 6.716 13.887 3.722 129 2HG2 THR 16 2HG2 THR 16 8.469 13.629 3.594 130 3HG2 THR 16 3HG2 THR 16 7.785 15.274 3.548 131 H MET 17 H MET 17 4.917 11.895 0.627 132 HA MET 17 HA MET 17 4.419 10.628 3.166 133 1HB MET 17 1HB MET 17 2.862 11.160 0.819 134 2HB MET 17 2HB MET 17 2.853 9.421 1.050 135 1HG MET 17 1HG MET 17 2.315 9.779 3.433 136 2HG MET 17 2HG MET 17 2.224 11.510 3.120 137 1HE MET 17 1HE MET 17 0.349 12.329 1.024 138 2HE MET 17 2HE MET 17 0.498 10.830 0.057 139 3HE MET 17 3HE MET 17 -1.079 11.340 0.666 140 H ARG 18 H ARG 18 5.748 9.522 -0.010 141 HA ARG 18 HA ARG 18 5.845 6.737 0.829 142 1HB ARG 18 1HB ARG 18 5.839 7.277 -1.514 143 2HB ARG 18 2HB ARG 18 7.323 8.235 -1.387 144 1HG ARG 18 1HG ARG 18 8.652 6.347 -0.940 145 2HG ARG 18 2HG ARG 18 7.266 5.348 -0.480 146 1HD ARG 18 1HD ARG 18 6.428 5.430 -2.804 147 2HD ARG 18 2HD ARG 18 7.839 6.356 -3.279 148 HE ARG 18 HE ARG 18 7.571 3.576 -3.035 149 1HH1 ARG 18 2HH2 ARG 18 10.093 5.911 -2.996 150 2HH1 ARG 18 1HH2 ARG 18 11.376 4.906 -2.393 151 1HH2 ARG 18 2HH1 ARG 18 9.256 2.060 -2.707 152 2HH2 ARG 18 1HH1 ARG 18 10.903 2.570 -2.598 153 H ARG 19 H ARG 19 8.062 9.537 1.090 154 HA ARG 19 HA ARG 19 10.293 7.952 2.088 155 1HB ARG 19 1HB ARG 19 9.650 10.904 2.452 156 2HB ARG 19 2HB ARG 19 10.984 10.112 3.274 157 1HG ARG 19 1HG ARG 19 11.881 11.150 1.341 158 2HG ARG 19 2HG ARG 19 11.971 9.404 1.117 159 1HD ARG 19 1HD ARG 19 10.065 9.466 -0.434 160 2HD ARG 19 2HD ARG 19 9.746 11.146 0.017 161 HE ARG 19 HE ARG 19 11.228 11.900 -1.406 162 1HH1 ARG 19 2HH2 ARG 19 11.851 8.415 -1.067 163 2HH1 ARG 19 1HH2 ARG 19 12.931 8.338 -2.436 164 1HH2 ARG 19 2HH1 ARG 19 12.728 11.809 -3.099 165 2HH2 ARG 19 1HH1 ARG 19 13.413 10.324 -3.659 166 H ILE 20 H ILE 20 7.521 9.563 3.733 167 HA ILE 20 HA ILE 20 8.197 8.634 6.329 168 HB ILE 20 HB ILE 20 5.688 9.686 5.056 169 1HG1 ILE 20 1HG1 ILE 20 5.726 11.048 7.176 170 2HG1 ILE 20 2HG1 ILE 20 7.197 10.210 7.658 171 1HG2 ILE 20 1HG2 ILE 20 5.694 8.103 7.655 172 2HG2 ILE 20 2HG2 ILE 20 4.387 9.182 7.150 173 3HG2 ILE 20 3HG2 ILE 20 4.728 7.747 6.206 174 1HD1 ILE 20 1HD1 ILE 20 6.839 12.036 5.254 175 2HD1 ILE 20 2HD1 ILE 20 7.683 12.429 6.752 176 3HD1 ILE 20 3HD1 ILE 20 8.362 11.205 5.670 177 H VAL 21 H VAL 21 5.829 7.070 4.021 178 HA VAL 21 HA VAL 21 5.391 4.812 5.504 179 HB VAL 21 HB VAL 21 5.556 5.028 2.452 180 1HG1 VAL 21 1HG1 VAL 21 5.581 2.663 3.029 181 2HG1 VAL 21 2HG1 VAL 21 4.244 2.882 4.184 182 3HG1 VAL 21 3HG1 VAL 21 3.986 3.106 2.437 183 1HG2 VAL 21 1HG2 VAL 21 3.158 5.176 4.364 184 2HG2 VAL 21 2HG2 VAL 21 3.885 6.579 3.565 185 3HG2 VAL 21 3HG2 VAL 21 3.125 5.340 2.599 186 H ARG 22 H ARG 22 8.020 5.170 3.095 187 HA ARG 22 HA ARG 22 9.180 2.604 3.458 188 1HB ARG 22 1HB ARG 22 9.621 4.150 1.586 189 2HB ARG 22 2HB ARG 22 10.477 5.258 2.661 190 1HG ARG 22 1HG ARG 22 11.415 2.392 2.532 191 2HG ARG 22 2HG ARG 22 11.660 3.425 1.116 192 1HD ARG 22 1HD ARG 22 12.645 4.210 3.870 193 2HD ARG 22 2HD ARG 22 13.611 3.295 2.696 194 HE ARG 22 HE ARG 22 12.496 5.595 1.432 195 1HH1 ARG 22 2HH2 ARG 22 14.907 4.959 3.936 196 2HH1 ARG 22 1HH2 ARG 22 15.766 6.407 3.681 197 1HH2 ARG 22 2HH1 ARG 22 13.618 7.405 0.983 198 2HH2 ARG 22 1HH1 ARG 22 15.129 7.797 1.729 199 H ASN 23 H ASN 23 9.708 5.693 5.254 200 HA ASN 23 HA ASN 23 11.787 4.607 6.911 201 1HB ASN 23 1HB ASN 23 11.127 7.146 6.688 202 2HB ASN 23 2HB ASN 23 9.878 6.777 7.866 203 1HD2 ASN 23 1HD2 ASN 23 10.568 6.707 10.118 204 2HD2 ASN 23 2HD2 ASN 23 12.283 6.678 10.509 205 H LEU 24 H LEU 24 8.244 4.833 7.278 206 HA LEU 24 HA LEU 24 8.135 3.915 9.960 207 1HB LEU 24 1HB LEU 24 6.032 3.333 7.830 208 2HB LEU 24 2HB LEU 24 5.810 3.376 9.571 209 HG LEU 24 HG LEU 24 6.252 5.678 7.685 210 1HD1 LEU 24 1HD1 LEU 24 3.929 4.933 9.385 211 2HD1 LEU 24 2HD1 LEU 24 4.112 6.488 8.534 212 3HD1 LEU 24 3HD1 LEU 24 4.067 4.981 7.624 213 1HD2 LEU 24 1HD2 LEU 24 6.038 7.180 9.750 214 2HD2 LEU 24 2HD2 LEU 24 6.538 5.744 10.676 215 3HD2 LEU 24 3HD2 LEU 24 7.589 6.410 9.440 216 H LEU 25 H LEU 25 8.007 2.140 6.884 217 HA LEU 25 HA LEU 25 7.828 -0.481 8.024 218 1HB LEU 25 1HB LEU 25 8.742 0.640 5.350 219 2HB LEU 25 2HB LEU 25 8.805 -1.090 5.671 220 HG LEU 25 HG LEU 25 6.243 0.492 6.147 221 1HD1 LEU 25 1HD1 LEU 25 7.098 -0.846 3.564 222 2HD1 LEU 25 2HD1 LEU 25 5.496 -0.163 3.946 223 3HD1 LEU 25 3HD1 LEU 25 6.901 0.902 3.841 224 1HD2 LEU 25 1HD2 LEU 25 5.216 -1.753 5.777 225 2HD2 LEU 25 2HD2 LEU 25 6.841 -2.451 5.618 226 3HD2 LEU 25 3HD2 LEU 25 6.315 -1.749 7.158 227 H LYS 26 H LYS 26 10.679 1.433 6.922 228 HA LYS 26 HA LYS 26 12.563 -0.577 7.588 229 1HB LYS 26 1HB LYS 26 12.732 2.436 7.260 230 2HB LYS 26 2HB LYS 26 14.147 1.528 7.764 231 1HG LYS 26 1HG LYS 26 12.704 0.458 5.344 232 2HG LYS 26 2HG LYS 26 13.505 2.015 5.164 233 1HD LYS 26 1HD LYS 26 15.009 0.195 4.495 234 2HD LYS 26 2HD LYS 26 15.628 1.112 5.861 235 1HE LYS 26 1HE LYS 26 14.485 -0.803 7.305 236 2HE LYS 26 2HE LYS 26 14.530 -1.709 5.789 237 1HZ LYS 26 1HZ LYS 26 16.869 -0.498 7.122 238 2HZ LYS 26 2HZ LYS 26 16.453 -2.089 7.187 239 3HZ LYS 26 3HZ LYS 26 16.918 -1.393 5.763 240 H GLU 27 H GLU 27 11.244 2.076 9.602 241 HA GLU 27 HA GLU 27 12.760 1.596 11.940 242 1HB GLU 27 1HB GLU 27 9.966 2.688 11.387 243 2HB GLU 27 2HB GLU 27 10.534 2.484 13.030 244 1HG GLU 27 1HG GLU 27 11.950 4.164 10.927 245 2HG GLU 27 2HG GLU 27 10.854 4.788 12.169 246 H LEU 28 H LEU 28 9.697 0.137 10.790 247 HA LEU 28 HA LEU 28 9.555 -1.690 13.062 248 1HB LEU 28 1HB LEU 28 7.952 -1.417 10.496 249 2HB LEU 28 2HB LEU 28 7.575 -2.587 11.761 250 HG LEU 28 HG LEU 28 7.708 0.419 12.286 251 1HD1 LEU 28 1HD1 LEU 28 5.269 0.399 12.205 252 2HD1 LEU 28 2HD1 LEU 28 5.965 -0.050 10.642 253 3HD1 LEU 28 3HD1 LEU 28 5.278 -1.306 11.702 254 1HD2 LEU 28 1HD2 LEU 28 7.980 -0.916 14.326 255 2HD2 LEU 28 2HD2 LEU 28 6.409 -0.139 14.309 256 3HD2 LEU 28 3HD2 LEU 28 6.538 -1.873 13.926 257 H GLY 29 H GLY 29 11.655 -1.717 10.539 258 1HA GLY 29 1HA GLY 29 13.339 -3.332 10.639 259 2HA GLY 29 2HA GLY 29 12.164 -4.579 11.046 260 H PHE 30 H PHE 30 10.538 -3.238 8.608 261 HA PHE 30 HA PHE 30 11.258 -5.415 6.839 262 1HB PHE 30 1HB PHE 30 9.272 -3.135 6.720 263 2HB PHE 30 2HB PHE 30 9.581 -4.116 5.302 264 HD1 PHE 30 1HD PHE 30 9.552 -6.777 5.751 265 HD2 PHE 30 2HD PHE 30 7.375 -3.813 7.998 266 HE1 PHE 30 1HE PHE 30 7.817 -8.452 6.249 267 HE2 PHE 30 2HE PHE 30 5.622 -5.510 8.475 268 HZ PHE 30 HZ PHE 30 5.818 -7.815 7.583 269 H ASN 31 H ASN 31 11.826 -5.151 4.559 270 HA ASN 31 HA ASN 31 13.680 -2.901 3.973 271 1HB ASN 31 1HB ASN 31 14.287 -5.875 4.203 272 2HB ASN 31 2HB ASN 31 15.209 -4.899 3.090 273 1HD2 ASN 31 1HD2 ASN 31 14.582 -5.427 6.536 274 2HD2 ASN 31 2HD2 ASN 31 15.884 -4.417 7.082 275 H ASN 32 H ASN 32 14.646 -3.588 1.664 276 HA ASN 32 HA ASN 32 14.399 -3.784 -0.527 277 1HB ASN 32 1HB ASN 32 14.333 -6.164 0.395 278 2HB ASN 32 2HB ASN 32 12.598 -6.144 0.062 279 1HD2 ASN 32 1HD2 ASN 32 13.159 -7.960 -1.401 280 2HD2 ASN 32 2HD2 ASN 32 14.098 -7.762 -2.863 281 H VAL 33 H VAL 33 13.102 -1.704 -0.217 282 HA VAL 33 HA VAL 33 10.272 -1.974 -0.979 283 HB VAL 33 HB VAL 33 10.409 0.585 -0.822 284 1HG1 VAL 33 1HG1 VAL 33 10.314 0.532 1.674 285 2HG1 VAL 33 2HG1 VAL 33 9.340 -0.713 0.905 286 3HG1 VAL 33 3HG1 VAL 33 10.898 -1.148 1.640 287 1HG2 VAL 33 1HG2 VAL 33 12.968 0.605 -0.947 288 2HG2 VAL 33 2HG2 VAL 33 12.247 1.590 0.301 289 3HG2 VAL 33 3HG2 VAL 33 12.972 0.041 0.741 290 H GLU 34 H GLU 34 9.426 -1.149 -2.902 291 HA GLU 34 HA GLU 34 11.288 -0.179 -5.012 292 1HB GLU 34 1HB GLU 34 8.983 -2.134 -5.161 293 2HB GLU 34 2HB GLU 34 9.375 -1.140 -6.556 294 1HG GLU 34 1HG GLU 34 11.500 -2.857 -5.231 295 2HG GLU 34 2HG GLU 34 10.387 -3.465 -6.458 296 H GLU 35 H GLU 35 10.147 1.221 -6.527 297 HA GLU 35 HA GLU 35 7.888 2.716 -5.363 298 1HB GLU 35 1HB GLU 35 10.240 3.832 -5.167 299 2HB GLU 35 2HB GLU 35 10.203 3.947 -6.923 300 1HG GLU 35 1HG GLU 35 8.147 5.284 -6.812 301 2HG GLU 35 2HG GLU 35 8.014 5.021 -5.105 302 H ALA 36 H ALA 36 6.536 3.596 -7.063 303 HA ALA 36 HA ALA 36 7.162 2.882 -9.819 304 1HB ALA 36 1HB ALA 36 5.445 1.185 -9.090 305 2HB ALA 36 2HB ALA 36 4.394 2.533 -8.585 306 3HB ALA 36 3HB ALA 36 4.800 2.331 -10.270 307 H GLU 37 H GLU 37 5.988 4.403 -11.239 308 HA GLU 37 HA GLU 37 6.010 7.077 -10.170 309 1HB GLU 37 1HB GLU 37 4.923 6.034 -12.830 310 2HB GLU 37 2HB GLU 37 5.313 7.709 -12.417 311 1HG GLU 37 1HG GLU 37 7.699 6.757 -11.853 312 2HG GLU 37 2HG GLU 37 7.206 5.367 -12.814 313 H ASP 38 H ASP 38 3.413 4.679 -10.766 314 HA ASP 38 HA ASP 38 1.428 6.170 -9.374 315 1HB ASP 38 1HB ASP 38 0.190 7.079 -10.998 316 2HB ASP 38 2HB ASP 38 1.722 7.287 -11.827 317 H GLY 39 H GLY 39 -0.806 5.011 -9.862 318 1HA GLY 39 1HA GLY 39 -0.849 2.337 -9.403 319 2HA GLY 39 2HA GLY 39 -2.148 3.243 -10.176 320 H VAL 40 H VAL 40 -0.838 3.797 -12.781 321 HA VAL 40 HA VAL 40 -1.347 1.245 -14.040 322 HB VAL 40 HB VAL 40 0.236 3.596 -15.184 323 1HG1 VAL 40 1HG1 VAL 40 -1.301 1.341 -16.550 324 2HG1 VAL 40 2HG1 VAL 40 -0.388 2.648 -17.343 325 3HG1 VAL 40 3HG1 VAL 40 0.461 1.433 -16.411 326 1HG2 VAL 40 1HG2 VAL 40 -2.054 4.339 -14.488 327 2HG2 VAL 40 2HG2 VAL 40 -1.808 4.369 -16.235 328 3HG2 VAL 40 3HG2 VAL 40 -2.731 3.043 -15.500 329 H ASP 41 H ASP 41 1.636 3.095 -13.281 330 HA ASP 41 HA ASP 41 3.436 1.072 -14.174 331 1HB ASP 41 1HB ASP 41 4.038 3.451 -13.828 332 2HB ASP 41 2HB ASP 41 3.859 3.248 -12.092 333 H ALA 42 H ALA 42 1.774 1.545 -11.019 334 HA ALA 42 HA ALA 42 3.273 -0.284 -9.527 335 1HB ALA 42 1HB ALA 42 1.514 1.404 -8.704 336 2HB ALA 42 2HB ALA 42 0.286 0.260 -9.234 337 3HB ALA 42 3HB ALA 42 1.420 -0.217 -7.964 338 H LEU 43 H LEU 43 0.317 -0.712 -11.485 339 HA LEU 43 HA LEU 43 -0.018 -3.504 -10.999 340 1HB LEU 43 1HB LEU 43 -1.675 -1.828 -12.048 341 2HB LEU 43 2HB LEU 43 -0.728 -1.971 -13.526 342 HG LEU 43 HG LEU 43 -1.149 -4.525 -13.340 343 1HD1 LEU 43 1HD1 LEU 43 -3.117 -5.245 -12.138 344 2HD1 LEU 43 2HD1 LEU 43 -1.986 -4.536 -10.989 345 3HD1 LEU 43 3HD1 LEU 43 -3.404 -3.601 -11.516 346 1HD2 LEU 43 1HD2 LEU 43 -3.371 -4.282 -14.432 347 2HD2 LEU 43 2HD2 LEU 43 -3.467 -2.602 -13.844 348 3HD2 LEU 43 3HD2 LEU 43 -2.226 -3.074 -15.015 349 H ASN 44 H ASN 44 1.844 -1.676 -13.456 350 HA ASN 44 HA ASN 44 2.787 -3.988 -14.852 351 1HB ASN 44 1HB ASN 44 2.733 -1.499 -15.601 352 2HB ASN 44 2HB ASN 44 4.259 -1.335 -14.728 353 1HD2 ASN 44 1HD2 ASN 44 5.749 -1.156 -16.451 354 2HD2 ASN 44 2HD2 ASN 44 5.847 -2.267 -17.782 355 H LYS 45 H LYS 45 4.045 -2.314 -11.983 356 HA LYS 45 HA LYS 45 6.479 -3.879 -11.779 357 1HB LYS 45 1HB LYS 45 4.936 -2.102 -9.910 358 2HB LYS 45 2HB LYS 45 5.903 -3.373 -9.181 359 1HG LYS 45 1HG LYS 45 7.281 -1.511 -9.211 360 2HG LYS 45 2HG LYS 45 7.904 -2.582 -10.467 361 1HD LYS 45 1HD LYS 45 7.078 -1.137 -12.226 362 2HD LYS 45 2HD LYS 45 5.984 -0.326 -11.096 363 1HE LYS 45 1HE LYS 45 7.697 1.209 -11.456 364 2HE LYS 45 2HE LYS 45 7.854 0.563 -9.825 365 1HZ LYS 45 1HZ LYS 45 9.546 -0.084 -12.151 366 2HZ LYS 45 2HZ LYS 45 10.002 0.664 -10.749 367 3HZ LYS 45 3HZ LYS 45 9.629 -0.915 -10.737 368 H LEU 46 H LEU 46 3.101 -4.360 -10.546 369 HA LEU 46 HA LEU 46 3.799 -6.718 -9.097 370 1HB LEU 46 1HB LEU 46 1.185 -5.587 -10.098 371 2HB LEU 46 2HB LEU 46 1.225 -7.287 -9.669 372 HG LEU 46 HG LEU 46 0.446 -6.046 -7.791 373 1HD1 LEU 46 1HD1 LEU 46 1.899 -8.033 -7.370 374 2HD1 LEU 46 2HD1 LEU 46 3.274 -6.932 -7.128 375 3HD1 LEU 46 3HD1 LEU 46 1.898 -6.853 -6.050 376 1HD2 LEU 46 1HD2 LEU 46 1.937 -4.416 -6.592 377 2HD2 LEU 46 2HD2 LEU 46 3.029 -4.447 -7.962 378 3HD2 LEU 46 3HD2 LEU 46 1.360 -3.859 -8.159 379 H GLN 47 H GLN 47 2.787 -6.268 -12.457 380 HA GLN 47 HA GLN 47 2.988 -9.072 -13.141 381 1HB GLN 47 1HB GLN 47 2.968 -6.533 -14.823 382 2HB GLN 47 2HB GLN 47 2.918 -8.176 -15.488 383 1HG GLN 47 1HG GLN 47 0.875 -8.664 -14.160 384 2HG GLN 47 2HG GLN 47 0.846 -6.999 -13.576 385 1HE2 GLN 47 1HE2 GLN 47 -0.973 -8.721 -15.426 386 2HE2 GLN 47 2HE2 GLN 47 -1.229 -7.661 -16.812 387 H ALA 48 H ALA 48 5.450 -7.371 -11.895 388 HA ALA 48 HA ALA 48 7.458 -8.866 -13.443 389 1HB ALA 48 1HB ALA 48 8.986 -7.021 -13.013 390 2HB ALA 48 2HB ALA 48 7.539 -6.430 -13.867 391 3HB ALA 48 3HB ALA 48 7.728 -6.137 -12.129 392 H GLY 49 H GLY 49 5.738 -9.273 -10.679 393 1HA GLY 49 1HA GLY 49 7.356 -11.238 -9.902 394 2HA GLY 49 2HA GLY 49 8.068 -9.921 -8.977 395 H GLY 50 H GLY 50 7.469 -11.698 -7.400 396 1HA GLY 50 1HA GLY 50 4.652 -11.700 -6.493 397 2HA GLY 50 2HA GLY 50 5.966 -12.775 -5.981 398 H TYR 51 H TYR 51 4.914 -9.388 -5.929 399 HA TYR 51 HA TYR 51 6.693 -8.555 -3.773 400 1HB TYR 51 1HB TYR 51 4.209 -7.339 -5.054 401 2HB TYR 51 2HB TYR 51 5.071 -6.574 -3.737 402 HD1 TYR 51 1HD TYR 51 5.558 -7.783 -7.286 403 HD2 TYR 51 2HD TYR 51 6.975 -5.264 -4.082 404 HE1 TYR 51 1HE TYR 51 7.240 -6.802 -8.802 405 HE2 TYR 51 2HE TYR 51 8.555 -4.205 -5.609 406 HH TYR 51 HH TYR 51 9.377 -4.099 -7.852 407 H GLY 52 H GLY 52 6.017 -7.988 -1.632 408 1HA GLY 52 1HA GLY 52 3.959 -9.803 -0.542 409 2HA GLY 52 2HA GLY 52 5.118 -8.824 0.357 410 H PHE 53 H PHE 53 4.442 -6.328 -1.150 411 HA PHE 53 HA PHE 53 1.764 -5.703 -0.030 412 1HB PHE 53 1HB PHE 53 4.466 -4.674 0.843 413 2HB PHE 53 2HB PHE 53 3.107 -3.576 0.841 414 HD1 PHE 53 1HD PHE 53 1.536 -3.512 2.591 415 HD2 PHE 53 2HD PHE 53 4.285 -6.820 2.264 416 HE1 PHE 53 1HE PHE 53 0.921 -4.247 4.853 417 HE2 PHE 53 2HE PHE 53 3.601 -7.622 4.492 418 HZ PHE 53 HZ PHE 53 1.937 -6.348 5.816 419 H VAL 54 H VAL 54 0.855 -3.863 -0.887 420 HA VAL 54 HA VAL 54 2.186 -2.515 -3.165 421 HB VAL 54 HB VAL 54 -0.550 -3.856 -3.285 422 1HG1 VAL 54 1HG1 VAL 54 -0.337 -3.460 -5.731 423 2HG1 VAL 54 2HG1 VAL 54 -0.405 -1.949 -4.827 424 3HG1 VAL 54 3HG1 VAL 54 1.151 -2.558 -5.452 425 1HG2 VAL 54 1HG2 VAL 54 1.011 -5.661 -3.309 426 2HG2 VAL 54 2HG2 VAL 54 0.640 -5.333 -5.000 427 3HG2 VAL 54 3HG2 VAL 54 2.161 -4.763 -4.323 428 H ILE 55 H ILE 55 2.386 -1.057 -1.324 429 HA ILE 55 HA ILE 55 -0.027 0.137 -0.172 430 HB ILE 55 HB ILE 55 2.848 1.037 0.208 431 1HG1 ILE 55 1HG1 ILE 55 1.359 -1.242 1.572 432 2HG1 ILE 55 2HG1 ILE 55 2.877 -1.320 0.667 433 1HG2 ILE 55 1HG2 ILE 55 1.073 2.579 0.991 434 2HG2 ILE 55 2HG2 ILE 55 0.372 1.283 1.975 435 3HG2 ILE 55 3HG2 ILE 55 1.983 1.928 2.343 436 1HD1 ILE 55 1HD1 ILE 55 2.527 -0.089 3.407 437 2HD1 ILE 55 2HD1 ILE 55 3.354 -1.583 2.968 438 3HD1 ILE 55 3HD1 ILE 55 4.010 -0.032 2.401 439 H SER 56 H SER 56 -0.931 2.130 -0.884 440 HA SER 56 HA SER 56 0.376 3.513 -3.115 441 1HB SER 56 1HB SER 56 -1.987 3.052 -4.317 442 2HB SER 56 2HB SER 56 -0.566 2.030 -4.547 443 HG SER 56 HG SER 56 -1.404 0.600 -2.975 444 H ASP 57 H ASP 57 -0.635 5.522 -3.619 445 HA ASP 57 HA ASP 57 -2.621 6.525 -1.643 446 1HB ASP 57 1HB ASP 57 -0.619 7.882 -2.487 447 2HB ASP 57 2HB ASP 57 -1.479 8.035 -4.018 448 H TRP 58 H TRP 58 -4.470 7.711 -2.710 449 HA TRP 58 HA TRP 58 -5.875 6.068 -4.710 450 1HB TRP 58 1HB TRP 58 -6.943 7.235 -2.685 451 2HB TRP 58 2HB TRP 58 -6.672 8.756 -3.511 452 HD1 TRP 58 HD TRP 58 -7.841 8.546 -6.285 453 HE1 TRP 58 1HE TRP 58 -10.170 7.663 -6.869 454 HE3 TRP 58 3HE TRP 58 -8.785 5.885 -2.016 455 HZ2 TRP 58 2HZ TRP 58 -12.256 6.147 -5.579 456 HZ3 TRP 58 3HZ TRP 58 -10.946 4.665 -1.741 457 HH2 TRP 58 HH TRP 58 -12.675 4.846 -3.534 458 H ASN 59 H ASN 59 -4.292 9.154 -4.249 459 HA ASN 59 HA ASN 59 -5.338 10.648 -6.350 460 1HB ASN 59 1HB ASN 59 -4.419 11.344 -4.083 461 2HB ASN 59 2HB ASN 59 -2.801 11.199 -4.765 462 1HD2 ASN 59 1HD2 ASN 59 -2.089 13.402 -5.042 463 2HD2 ASN 59 2HD2 ASN 59 -3.104 14.601 -5.807 464 H MET 60 H MET 60 -4.072 8.361 -7.494 465 HA MET 60 HA MET 60 -1.705 9.005 -9.022 466 1HB MET 60 1HB MET 60 -3.873 6.884 -9.054 467 2HB MET 60 2HB MET 60 -2.496 6.819 -10.143 468 1HG MET 60 1HG MET 60 -0.942 6.570 -8.372 469 2HG MET 60 2HG MET 60 -2.110 7.033 -7.137 470 1HE MET 60 1HE MET 60 -0.098 4.566 -7.186 471 2HE MET 60 2HE MET 60 -1.105 4.919 -5.767 472 3HE MET 60 3HE MET 60 -1.081 3.279 -6.464 473 HA PRO 61 HA PRO 61 -3.742 11.192 -12.251 474 1HB PRO 61 1HB PRO 61 -2.377 10.641 -14.509 475 2HB PRO 61 2HB PRO 61 -1.569 11.326 -13.065 476 1HG PRO 61 1HG PRO 61 -1.579 8.447 -13.964 477 2HG PRO 61 2HG PRO 61 -0.202 9.445 -13.401 478 1HD PRO 61 1HD PRO 61 -1.678 7.745 -11.796 479 2HD PRO 61 2HD PRO 61 -0.795 9.174 -11.170 480 H ASN 62 H ASN 62 -3.538 7.716 -13.124 481 HA ASN 62 HA ASN 62 -5.851 8.076 -14.952 482 1HB ASN 62 1HB ASN 62 -3.482 7.781 -15.995 483 2HB ASN 62 2HB ASN 62 -3.628 6.098 -15.566 484 1HD2 ASN 62 1HD2 ASN 62 -5.425 4.786 -16.633 485 2HD2 ASN 62 2HD2 ASN 62 -6.054 5.415 -18.112 486 H MET 63 H MET 63 -3.979 5.248 -13.822 487 HA MET 63 HA MET 63 -6.440 3.884 -12.974 488 1HB MET 63 1HB MET 63 -4.106 2.832 -13.796 489 2HB MET 63 2HB MET 63 -3.699 2.963 -12.093 490 1HG MET 63 1HG MET 63 -4.661 0.856 -12.221 491 2HG MET 63 2HG MET 63 -6.050 1.822 -11.721 492 1HE MET 63 1HE MET 63 -7.148 -0.648 -12.682 493 2HE MET 63 2HE MET 63 -6.972 -1.162 -14.375 494 3HE MET 63 3HE MET 63 -5.548 -1.107 -13.310 495 H ASP 64 H ASP 64 -7.425 4.918 -11.237 496 HA ASP 64 HA ASP 64 -5.855 6.250 -9.196 497 1HB ASP 64 1HB ASP 64 -7.839 6.667 -8.019 498 2HB ASP 64 2HB ASP 64 -8.133 6.998 -9.713 499 H GLY 65 H GLY 65 -5.926 5.568 -6.895 500 1HA GLY 65 1HA GLY 65 -4.708 3.054 -6.636 501 2HA GLY 65 2HA GLY 65 -5.346 3.999 -5.292 502 H LEU 66 H LEU 66 -8.164 3.688 -6.650 503 HA LEU 66 HA LEU 66 -8.948 1.319 -5.127 504 1HB LEU 66 1HB LEU 66 -10.174 3.767 -5.576 505 2HB LEU 66 2HB LEU 66 -10.940 2.803 -6.820 506 HG LEU 66 HG LEU 66 -12.217 2.911 -4.814 507 1HD1 LEU 66 1HD1 LEU 66 -11.159 0.086 -5.113 508 2HD1 LEU 66 2HD1 LEU 66 -12.745 0.605 -4.477 509 3HD1 LEU 66 3HD1 LEU 66 -12.329 0.889 -6.184 510 1HD2 LEU 66 1HD2 LEU 66 -11.511 2.471 -2.715 511 2HD2 LEU 66 2HD2 LEU 66 -10.293 1.260 -3.211 512 3HD2 LEU 66 3HD2 LEU 66 -9.960 2.976 -3.383 513 H GLU 67 H GLU 67 -8.810 2.513 -8.488 514 HA GLU 67 HA GLU 67 -9.693 0.068 -9.713 515 1HB GLU 67 1HB GLU 67 -7.978 2.376 -10.723 516 2HB GLU 67 2HB GLU 67 -8.409 0.993 -11.734 517 1HG GLU 67 1HG GLU 67 -10.395 2.845 -10.386 518 2HG GLU 67 2HG GLU 67 -9.879 2.920 -12.079 519 H LEU 68 H LEU 68 -6.403 1.236 -8.851 520 HA LEU 68 HA LEU 68 -4.943 -0.989 -9.835 521 1HB LEU 68 1HB LEU 68 -3.809 0.994 -8.969 522 2HB LEU 68 2HB LEU 68 -4.465 0.706 -7.358 523 HG LEU 68 HG LEU 68 -3.165 -1.443 -7.216 524 1HD1 LEU 68 1HD1 LEU 68 -2.844 -2.014 -9.578 525 2HD1 LEU 68 2HD1 LEU 68 -1.983 -0.498 -9.861 526 3HD1 LEU 68 3HD1 LEU 68 -1.258 -1.751 -8.846 527 1HD2 LEU 68 1HD2 LEU 68 -0.987 -0.365 -6.861 528 2HD2 LEU 68 2HD2 LEU 68 -1.548 1.069 -7.755 529 3HD2 LEU 68 3HD2 LEU 68 -2.314 0.614 -6.226 530 H LEU 69 H LEU 69 -6.419 -0.518 -6.580 531 HA LEU 69 HA LEU 69 -5.940 -3.086 -5.523 532 1HB LEU 69 1HB LEU 69 -6.745 -1.606 -3.993 533 2HB LEU 69 2HB LEU 69 -7.917 -0.914 -5.083 534 HG LEU 69 HG LEU 69 -9.494 -2.675 -4.767 535 1HD1 LEU 69 1HD1 LEU 69 -7.950 -3.966 -2.515 536 2HD1 LEU 69 2HD1 LEU 69 -9.351 -4.522 -3.412 537 3HD1 LEU 69 3HD1 LEU 69 -7.747 -4.578 -4.169 538 1HD2 LEU 69 1HD2 LEU 69 -9.540 -0.819 -3.189 539 2HD2 LEU 69 2HD2 LEU 69 -9.885 -2.294 -2.278 540 3HD2 LEU 69 3HD2 LEU 69 -8.262 -1.568 -2.243 541 H LYS 70 H LYS 70 -8.887 -1.998 -7.300 542 HA LYS 70 HA LYS 70 -10.150 -4.548 -7.136 543 1HB LYS 70 1HB LYS 70 -10.480 -2.239 -9.083 544 2HB LYS 70 2HB LYS 70 -11.539 -3.657 -9.072 545 1HG LYS 70 1HG LYS 70 -12.300 -3.201 -6.828 546 2HG LYS 70 2HG LYS 70 -11.154 -1.873 -6.627 547 1HD LYS 70 1HD LYS 70 -12.210 -0.522 -8.259 548 2HD LYS 70 2HD LYS 70 -13.133 -1.872 -8.921 549 1HE LYS 70 1HE LYS 70 -14.547 -1.999 -6.949 550 2HE LYS 70 2HE LYS 70 -13.561 -0.779 -6.134 551 1HZ LYS 70 1HZ LYS 70 -15.371 -0.342 -8.417 552 2HZ LYS 70 2HZ LYS 70 -15.365 0.395 -6.951 553 3HZ LYS 70 3HZ LYS 70 -14.184 0.739 -8.011 554 H THR 71 H THR 71 -7.866 -3.314 -9.532 555 HA THR 71 HA THR 71 -8.258 -5.404 -11.482 556 HB THR 71 HB THR 71 -5.918 -3.529 -10.945 557 HG1 THR 71 1HG THR 71 -7.657 -2.336 -11.307 558 1HG2 THR 71 1HG2 THR 71 -5.309 -5.359 -12.535 559 2HG2 THR 71 2HG2 THR 71 -6.717 -4.931 -13.535 560 3HG2 THR 71 3HG2 THR 71 -5.401 -3.771 -13.308 561 H ILE 72 H ILE 72 -5.824 -4.838 -8.866 562 HA ILE 72 HA ILE 72 -4.519 -7.345 -9.084 563 HB ILE 72 HB ILE 72 -4.831 -5.211 -6.958 564 1HG1 ILE 72 1HG1 ILE 72 -2.471 -6.390 -8.516 565 2HG1 ILE 72 2HG1 ILE 72 -3.362 -4.932 -8.955 566 1HG2 ILE 72 1HG2 ILE 72 -4.793 -7.233 -5.601 567 2HG2 ILE 72 2HG2 ILE 72 -3.456 -7.877 -6.555 568 3HG2 ILE 72 3HG2 ILE 72 -3.223 -6.457 -5.510 569 1HD1 ILE 72 1HD1 ILE 72 -2.657 -3.897 -6.773 570 2HD1 ILE 72 2HD1 ILE 72 -1.594 -5.307 -6.523 571 3HD1 ILE 72 3HD1 ILE 72 -1.338 -4.246 -7.913 572 H ARG 73 H ARG 73 -7.336 -6.364 -7.114 573 HA ARG 73 HA ARG 73 -7.679 -8.708 -5.678 574 1HB ARG 73 1HB ARG 73 -8.938 -6.306 -5.632 575 2HB ARG 73 2HB ARG 73 -10.152 -7.218 -6.514 576 1HG ARG 73 1HG ARG 73 -10.760 -7.515 -4.243 577 2HG ARG 73 2HG ARG 73 -9.884 -8.999 -4.606 578 1HD ARG 73 1HD ARG 73 -7.794 -7.658 -3.706 579 2HD ARG 73 2HD ARG 73 -9.010 -6.583 -2.996 580 HE ARG 73 HE ARG 73 -9.802 -9.137 -2.291 581 1HH1 ARG 73 2HH2 ARG 73 -6.884 -7.213 -1.760 582 2HH1 ARG 73 1HH2 ARG 73 -6.322 -8.093 -0.404 583 1HH2 ARG 73 2HH1 ARG 73 -8.899 -10.477 -0.728 584 2HH2 ARG 73 1HH1 ARG 73 -7.652 -9.947 0.345 585 H ALA 74 H ALA 74 -8.416 -8.210 -9.036 586 HA ALA 74 HA ALA 74 -10.687 -9.745 -9.343 587 1HB ALA 74 1HB ALA 74 -8.496 -9.476 -11.430 588 2HB ALA 74 2HB ALA 74 -10.256 -9.642 -11.671 589 3HB ALA 74 3HB ALA 74 -9.594 -8.161 -10.981 590 H ASP 75 H ASP 75 -7.346 -10.937 -10.115 591 HA ASP 75 HA ASP 75 -7.636 -13.200 -8.529 592 1HB ASP 75 1HB ASP 75 -7.569 -15.071 -10.027 593 2HB ASP 75 2HB ASP 75 -9.075 -14.217 -10.175 594 H GLY 76 H GLY 76 -5.711 -13.747 -11.433 595 1HA GLY 76 1HA GLY 76 -3.522 -13.556 -11.919 596 2HA GLY 76 2HA GLY 76 -3.486 -12.107 -10.916 597 H ALA 77 H ALA 77 -4.456 -14.565 -8.955 598 HA ALA 77 HA ALA 77 -3.665 -15.517 -7.112 599 1HB ALA 77 1HB ALA 77 -1.476 -16.468 -6.872 600 2HB ALA 77 2HB ALA 77 -2.120 -16.873 -8.465 601 3HB ALA 77 3HB ALA 77 -0.881 -15.596 -8.288 602 H MET 78 H MET 78 -3.418 -12.550 -8.015 603 HA MET 78 HA MET 78 -1.647 -11.488 -5.898 604 1HB MET 78 1HB MET 78 -3.098 -10.137 -8.225 605 2HB MET 78 2HB MET 78 -1.980 -9.349 -7.115 606 1HG MET 78 1HG MET 78 -1.240 -11.621 -8.949 607 2HG MET 78 2HG MET 78 -0.918 -9.923 -9.253 608 1HE MET 78 1HE MET 78 1.259 -12.277 -9.317 609 2HE MET 78 2HE MET 78 2.123 -12.594 -7.794 610 3HE MET 78 3HE MET 78 0.450 -13.163 -8.001 611 H SER 79 H SER 79 -4.873 -12.294 -6.480 612 HA SER 79 HA SER 79 -6.295 -10.156 -5.752 613 1HB SER 79 1HB SER 79 -8.124 -11.723 -5.075 614 2HB SER 79 2HB SER 79 -7.375 -12.088 -6.634 615 HG SER 79 HG SER 79 -7.743 -13.696 -4.682 616 H ALA 80 H ALA 80 -5.029 -12.516 -3.413 617 HA ALA 80 HA ALA 80 -6.272 -11.261 -1.148 618 1HB ALA 80 1HB ALA 80 -5.085 -12.951 0.147 619 2HB ALA 80 2HB ALA 80 -5.773 -13.694 -1.313 620 3HB ALA 80 3HB ALA 80 -4.038 -13.307 -1.233 621 H LEU 81 H LEU 81 -3.798 -9.931 -2.898 622 HA LEU 81 HA LEU 81 -1.711 -9.473 -1.117 623 1HB LEU 81 1HB LEU 81 -2.899 -7.927 -3.414 624 2HB LEU 81 2HB LEU 81 -1.751 -7.084 -2.401 625 HG LEU 81 HG LEU 81 -1.076 -9.716 -3.777 626 1HD1 LEU 81 1HD1 LEU 81 -0.744 -6.809 -4.569 627 2HD1 LEU 81 2HD1 LEU 81 0.242 -8.121 -5.286 628 3HD1 LEU 81 3HD1 LEU 81 -1.504 -8.089 -5.468 629 1HD2 LEU 81 1HD2 LEU 81 1.272 -8.920 -3.316 630 2HD2 LEU 81 2HD2 LEU 81 0.599 -7.658 -2.267 631 3HD2 LEU 81 3HD2 LEU 81 0.380 -9.373 -1.870 632 HA PRO 82 HA PRO 82 -3.446 -6.267 1.617 633 1HB PRO 82 1HB PRO 82 -1.212 -5.538 2.960 634 2HB PRO 82 2HB PRO 82 -2.051 -7.091 3.262 635 1HG PRO 82 1HG PRO 82 0.381 -6.603 1.529 636 2HG PRO 82 2HG PRO 82 0.147 -7.873 2.770 637 1HD PRO 82 1HD PRO 82 -0.273 -8.278 0.076 638 2HD PRO 82 2HD PRO 82 -1.201 -9.151 1.336 639 H VAL 83 H VAL 83 -3.739 -5.371 -0.694 640 HA VAL 83 HA VAL 83 -1.988 -3.121 -1.329 641 HB VAL 83 HB VAL 83 -3.614 -2.337 -2.819 642 1HG1 VAL 83 1HG1 VAL 83 -4.123 -5.346 -2.944 643 2HG1 VAL 83 2HG1 VAL 83 -4.273 -4.158 -4.246 644 3HG1 VAL 83 3HG1 VAL 83 -2.681 -4.532 -3.607 645 1HG2 VAL 83 1HG2 VAL 83 -5.924 -3.265 -2.909 646 2HG2 VAL 83 2HG2 VAL 83 -5.649 -4.083 -1.362 647 3HG2 VAL 83 3HG2 VAL 83 -5.621 -2.296 -1.478 648 H LEU 84 H LEU 84 -2.177 -1.009 -0.401 649 HA LEU 84 HA LEU 84 -4.004 -0.778 1.939 650 1HB LEU 84 1HB LEU 84 -2.013 -1.894 2.760 651 2HB LEU 84 2HB LEU 84 -0.964 -0.716 1.980 652 HG LEU 84 HG LEU 84 -1.627 1.035 3.513 653 1HD1 LEU 84 1HD1 LEU 84 -3.669 -0.955 4.585 654 2HD1 LEU 84 2HD1 LEU 84 -3.201 0.564 5.414 655 3HD1 LEU 84 3HD1 LEU 84 -3.980 0.635 3.845 656 1HD2 LEU 84 1HD2 LEU 84 -1.161 -1.581 5.022 657 2HD2 LEU 84 2HD2 LEU 84 0.094 -0.583 4.263 658 3HD2 LEU 84 3HD2 LEU 84 -0.825 0.062 5.631 659 H MET 85 H MET 85 -5.001 1.130 1.732 660 HA MET 85 HA MET 85 -3.958 3.165 -0.090 661 1HB MET 85 1HB MET 85 -6.446 2.979 1.640 662 2HB MET 85 2HB MET 85 -6.055 4.385 0.661 663 1HG MET 85 1HG MET 85 -6.365 1.588 -0.521 664 2HG MET 85 2HG MET 85 -7.711 2.665 -0.257 665 1HE MET 85 1HE MET 85 -4.699 2.820 -3.683 666 2HE MET 85 2HE MET 85 -3.975 3.059 -2.107 667 3HE MET 85 3HE MET 85 -4.900 1.581 -2.428 668 H VAL 86 H VAL 86 -2.694 4.804 0.505 669 HA VAL 86 HA VAL 86 -2.699 5.827 3.276 670 HB VAL 86 HB VAL 86 -0.236 5.255 1.558 671 1HG1 VAL 86 1HG1 VAL 86 1.008 5.963 3.573 672 2HG1 VAL 86 2HG1 VAL 86 0.034 7.269 2.928 673 3HG1 VAL 86 3HG1 VAL 86 -0.518 6.394 4.383 674 1HG2 VAL 86 1HG2 VAL 86 0.405 3.680 3.371 675 2HG2 VAL 86 2HG2 VAL 86 -1.193 3.887 4.113 676 3HG2 VAL 86 3HG2 VAL 86 -1.042 3.161 2.502 677 H THR 87 H THR 87 -3.531 7.912 2.973 678 HA THR 87 HA THR 87 -2.582 9.491 0.684 679 HB THR 87 HB THR 87 -4.358 8.042 -0.234 680 HG1 THR 87 1HG THR 87 -4.448 9.769 -1.299 681 1HG2 THR 87 1HG2 THR 87 -5.719 7.589 1.742 682 2HG2 THR 87 2HG2 THR 87 -6.186 9.299 1.842 683 3HG2 THR 87 3HG2 THR 87 -6.693 8.313 0.451 684 H ALA 88 H ALA 88 -3.627 11.722 0.746 685 HA ALA 88 HA ALA 88 -3.917 12.669 3.537 686 1HB ALA 88 1HB ALA 88 -3.968 14.905 2.477 687 2HB ALA 88 2HB ALA 88 -2.563 13.980 1.906 688 3HB ALA 88 3HB ALA 88 -3.996 14.158 0.867 689 H GLU 89 H GLU 89 -6.030 11.710 0.875 690 HA GLU 89 HA GLU 89 -8.239 13.465 1.703 691 1HB GLU 89 1HB GLU 89 -7.923 11.206 -0.325 692 2HB GLU 89 2HB GLU 89 -9.437 12.078 -0.085 693 1HG GLU 89 1HG GLU 89 -6.906 13.632 -0.705 694 2HG GLU 89 2HG GLU 89 -7.759 12.740 -1.967 695 H ALA 90 H ALA 90 -9.431 12.930 3.521 696 HA ALA 90 HA ALA 90 -9.777 10.158 4.339 697 1HB ALA 90 1HB ALA 90 -11.476 11.005 5.875 698 2HB ALA 90 2HB ALA 90 -10.001 11.981 5.987 699 3HB ALA 90 3HB ALA 90 -11.401 12.608 5.128 700 H LYS 91 H LYS 91 -12.409 12.384 3.317 701 HA LYS 91 HA LYS 91 -14.395 11.899 2.366 702 1HB LYS 91 1HB LYS 91 -12.918 12.260 0.400 703 2HB LYS 91 2HB LYS 91 -12.640 10.529 0.318 704 1HG LYS 91 1HG LYS 91 -14.266 10.964 -1.330 705 2HG LYS 91 2HG LYS 91 -15.172 10.243 -0.001 706 1HD LYS 91 1HD LYS 91 -15.772 12.617 0.723 707 2HD LYS 91 2HD LYS 91 -14.987 13.189 -0.764 708 1HE LYS 91 1HE LYS 91 -16.561 11.631 -2.043 709 2HE LYS 91 2HE LYS 91 -17.409 11.353 -0.520 710 1HZ LYS 91 1HZ LYS 91 -18.481 13.044 -1.793 711 2HZ LYS 91 2HZ LYS 91 -17.834 13.753 -0.427 712 3HZ LYS 91 3HZ LYS 91 -17.127 13.940 -1.909 713 H LYS 92 H LYS 92 -15.501 10.621 3.824 714 HA LYS 92 HA LYS 92 -15.011 7.901 4.341 715 1HB LYS 92 1HB LYS 92 -17.533 9.545 4.577 716 2HB LYS 92 2HB LYS 92 -17.457 7.835 5.047 717 1HG LYS 92 1HG LYS 92 -15.689 8.246 6.624 718 2HG LYS 92 2HG LYS 92 -15.560 9.939 6.164 719 1HD LYS 92 1HD LYS 92 -18.213 8.878 7.196 720 2HD LYS 92 2HD LYS 92 -16.878 9.155 8.304 721 1HE LYS 92 1HE LYS 92 -18.252 11.090 8.358 722 2HE LYS 92 2HE LYS 92 -16.701 11.506 7.626 723 1HZ LYS 92 1HZ LYS 92 -18.587 12.487 6.506 724 2HZ LYS 92 2HZ LYS 92 -17.756 11.544 5.486 725 3HZ LYS 92 3HZ LYS 92 -19.206 11.029 6.110 726 H GLU 93 H GLU 93 -16.954 9.211 1.641 727 HA GLU 93 HA GLU 93 -17.885 6.800 0.608 728 1HB GLU 93 1HB GLU 93 -17.919 9.443 -0.127 729 2HB GLU 93 2HB GLU 93 -16.885 8.790 -1.381 730 1HG GLU 93 1HG GLU 93 -19.601 7.643 -0.583 731 2HG GLU 93 2HG GLU 93 -19.419 8.905 -1.791 732 H ASN 94 H ASN 94 -14.633 8.231 0.183 733 HA ASN 94 HA ASN 94 -13.560 6.230 -1.598 734 1HB ASN 94 1HB ASN 94 -12.125 7.948 0.498 735 2HB ASN 94 2HB ASN 94 -11.357 6.858 -0.605 736 1HD2 ASN 94 1HD2 ASN 94 -10.245 9.058 -0.782 737 2HD2 ASN 94 2HD2 ASN 94 -10.786 10.129 -2.075 738 H ILE 95 H ILE 95 -13.722 6.644 1.968 739 HA ILE 95 HA ILE 95 -12.320 4.224 2.572 740 HB ILE 95 HB ILE 95 -14.197 5.937 4.188 741 1HG1 ILE 95 1HG1 ILE 95 -12.176 5.766 5.773 742 2HG1 ILE 95 2HG1 ILE 95 -11.314 5.005 4.445 743 1HG2 ILE 95 1HG2 ILE 95 -14.941 3.732 4.871 744 2HG2 ILE 95 2HG2 ILE 95 -13.254 3.214 5.098 745 3HG2 ILE 95 3HG2 ILE 95 -13.975 4.460 6.146 746 1HD1 ILE 95 1HD1 ILE 95 -10.882 7.453 4.650 747 2HD1 ILE 95 2HD1 ILE 95 -11.609 7.042 3.087 748 3HD1 ILE 95 3HD1 ILE 95 -12.602 7.775 4.371 749 H ILE 96 H ILE 96 -15.948 4.692 2.095 750 HA ILE 96 HA ILE 96 -16.581 1.982 2.472 751 HB ILE 96 HB ILE 96 -17.778 4.267 0.863 752 1HG1 ILE 96 1HG1 ILE 96 -19.330 2.939 3.052 753 2HG1 ILE 96 2HG1 ILE 96 -17.773 3.560 3.609 754 1HG2 ILE 96 1HG2 ILE 96 -19.869 2.927 0.632 755 2HG2 ILE 96 2HG2 ILE 96 -18.545 2.329 -0.370 756 3HG2 ILE 96 3HG2 ILE 96 -18.959 1.485 1.136 757 1HD1 ILE 96 1HD1 ILE 96 -19.939 5.142 2.223 758 2HD1 ILE 96 2HD1 ILE 96 -19.277 5.333 3.887 759 3HD1 ILE 96 3HD1 ILE 96 -18.314 5.744 2.481 760 H ALA 97 H ALA 97 -15.754 3.702 -0.643 761 HA ALA 97 HA ALA 97 -16.008 1.481 -2.339 762 1HB ALA 97 1HB ALA 97 -14.035 3.792 -2.428 763 2HB ALA 97 2HB ALA 97 -14.269 2.659 -3.766 764 3HB ALA 97 3HB ALA 97 -15.600 3.718 -3.265 765 H ALA 98 H ALA 98 -13.158 2.556 -0.487 766 HA ALA 98 HA ALA 98 -11.405 0.525 -1.426 767 1HB ALA 98 1HB ALA 98 -9.986 1.282 0.473 768 2HB ALA 98 2HB ALA 98 -10.652 2.636 -0.446 769 3HB ALA 98 3HB ALA 98 -11.370 2.212 1.113 770 H ALA 99 H ALA 99 -13.510 0.632 1.503 771 HA ALA 99 HA ALA 99 -12.666 -1.940 2.459 772 1HB ALA 99 1HB ALA 99 -15.299 -0.439 2.891 773 2HB ALA 99 2HB ALA 99 -14.751 -1.851 3.820 774 3HB ALA 99 3HB ALA 99 -13.849 -0.327 3.911 775 H GLN 100 H GLN 100 -15.388 -0.928 0.384 776 HA GLN 100 HA GLN 100 -16.657 -3.396 -0.052 777 1HB GLN 100 1HB GLN 100 -16.361 -0.846 -1.695 778 2HB GLN 100 2HB GLN 100 -17.305 -2.201 -2.284 779 1HG GLN 100 1HG GLN 100 -17.866 -0.980 0.454 780 2HG GLN 100 2HG GLN 100 -18.534 -0.310 -1.034 781 1HE2 GLN 100 1HE2 GLN 100 -18.620 -3.176 1.150 782 2HE2 GLN 100 2HE2 GLN 100 -20.047 -3.833 0.398 783 H ALA 101 H ALA 101 -14.096 -1.818 -2.025 784 HA ALA 101 HA ALA 101 -13.808 -3.986 -3.848 785 1HB ALA 101 1HB ALA 101 -11.700 -2.801 -4.440 786 2HB ALA 101 2HB ALA 101 -13.114 -1.729 -4.374 787 3HB ALA 101 3HB ALA 101 -11.940 -1.720 -3.048 788 H GLY 102 H GLY 102 -12.594 -3.560 -0.593 789 1HA GLY 102 1HA GLY 102 -11.870 -5.437 0.660 790 2HA GLY 102 2HA GLY 102 -11.236 -6.196 -0.800 791 H ALA 103 H ALA 103 -10.556 -2.771 -0.035 792 HA ALA 103 HA ALA 103 -7.730 -3.171 -0.271 793 1HB ALA 103 1HB ALA 103 -9.242 -0.908 -0.449 794 2HB ALA 103 2HB ALA 103 -8.777 -0.762 1.231 795 3HB ALA 103 3HB ALA 103 -7.530 -0.869 -0.033 796 H SER 104 H SER 104 -6.187 -3.516 1.407 797 HA SER 104 HA SER 104 -7.326 -4.716 3.780 798 1HB SER 104 1HB SER 104 -5.173 -5.466 4.267 799 2HB SER 104 2HB SER 104 -5.344 -5.574 2.517 800 HG SER 104 HG SER 104 -4.132 -3.648 2.330 801 H GLY 105 H GLY 105 -6.863 -1.441 3.127 802 1HA GLY 105 1HA GLY 105 -7.618 -0.653 5.644 803 2HA GLY 105 2HA GLY 105 -5.844 -0.506 5.617 804 H TYR 106 H TYR 106 -7.409 1.695 5.988 805 HA TYR 106 HA TYR 106 -6.547 3.304 3.676 806 1HB TYR 106 1HB TYR 106 -9.057 2.709 3.680 807 2HB TYR 106 2HB TYR 106 -9.200 3.750 5.081 808 HD1 TYR 106 1HD TYR 106 -8.001 6.224 4.687 809 HD2 TYR 106 2HD TYR 106 -9.455 3.590 1.591 810 HE1 TYR 106 1HE TYR 106 -8.255 8.131 3.164 811 HE2 TYR 106 2HE TYR 106 -9.741 5.514 0.086 812 HH TYR 106 HH TYR 106 -9.044 8.868 1.225 813 H VAL 107 H VAL 107 -4.773 4.065 4.723 814 HA VAL 107 HA VAL 107 -4.963 5.416 7.350 815 HB VAL 107 HB VAL 107 -2.695 4.958 5.374 816 1HG1 VAL 107 1HG1 VAL 107 -2.296 7.087 6.486 817 2HG1 VAL 107 2HG1 VAL 107 -2.677 6.374 8.069 818 3HG1 VAL 107 3HG1 VAL 107 -1.226 5.866 7.166 819 1HG2 VAL 107 1HG2 VAL 107 -3.318 2.929 6.653 820 2HG2 VAL 107 2HG2 VAL 107 -1.742 3.548 7.161 821 3HG2 VAL 107 3HG2 VAL 107 -3.170 3.843 8.171 822 H VAL 108 H VAL 108 -5.935 7.393 7.245 823 HA VAL 108 HA VAL 108 -5.454 9.125 4.891 824 HB VAL 108 HB VAL 108 -6.732 10.048 7.480 825 1HG1 VAL 108 1HG1 VAL 108 -7.042 10.873 4.551 826 2HG1 VAL 108 2HG1 VAL 108 -7.829 11.655 5.942 827 3HG1 VAL 108 3HG1 VAL 108 -6.095 11.749 5.760 828 1HG2 VAL 108 1HG2 VAL 108 -8.107 8.137 6.923 829 2HG2 VAL 108 2HG2 VAL 108 -8.971 9.611 6.506 830 3HG2 VAL 108 3HG2 VAL 108 -8.209 8.652 5.226 831 H LYS 109 H LYS 109 -4.061 11.041 5.315 832 HA LYS 109 HA LYS 109 -2.184 10.847 7.500 833 1HB LYS 109 1HB LYS 109 -1.190 12.731 6.703 834 2HB LYS 109 2HB LYS 109 -2.007 12.220 5.242 835 1HG LYS 109 1HG LYS 109 -3.824 13.900 5.698 836 2HG LYS 109 2HG LYS 109 -2.984 14.361 7.187 837 1HD LYS 109 1HD LYS 109 -0.911 14.710 5.536 838 2HD LYS 109 2HD LYS 109 -2.174 14.853 4.322 839 1HE LYS 109 1HE LYS 109 -1.491 17.029 5.125 840 2HE LYS 109 2HE LYS 109 -3.159 16.750 5.629 841 1HZ LYS 109 1HZ LYS 109 -0.878 16.148 7.413 842 2HZ LYS 109 2HZ LYS 109 -1.491 17.654 7.352 843 3HZ LYS 109 3HZ LYS 109 -2.445 16.414 7.838 844 HA PRO 110 HA PRO 110 -1.088 12.547 8.910 845 1HB PRO 110 1HB PRO 110 -0.723 12.933 11.547 846 2HB PRO 110 2HB PRO 110 -1.368 14.261 10.526 847 1HG PRO 110 1HG PRO 110 -2.929 12.316 12.242 848 2HG PRO 110 2HG PRO 110 -3.035 14.103 12.226 849 1HD PRO 110 1HD PRO 110 -4.725 12.477 10.773 850 2HD PRO 110 2HD PRO 110 -4.236 14.092 10.191 851 H PHE 111 H PHE 111 0.480 11.002 9.982 852 HA PHE 111 HA PHE 111 -0.447 8.690 11.435 853 1HB PHE 111 1HB PHE 111 -0.425 7.090 9.723 854 2HB PHE 111 2HB PHE 111 -1.472 8.314 9.090 855 HD1 PHE 111 1HD PHE 111 1.320 6.187 8.460 856 HD2 PHE 111 2HD PHE 111 -0.329 10.024 7.381 857 HE1 PHE 111 1HE PHE 111 2.523 6.119 6.303 858 HE2 PHE 111 2HE PHE 111 0.819 9.916 5.216 859 HZ PHE 111 HZ PHE 111 2.272 7.957 4.663 860 H THR 112 H THR 112 1.231 7.057 11.612 861 HA THR 112 HA THR 112 3.971 7.640 10.864 862 HB THR 112 HB THR 112 4.481 7.486 13.443 863 HG1 THR 112 1HG THR 112 2.944 8.132 14.773 864 1HG2 THR 112 1HG2 THR 112 3.451 10.120 12.387 865 2HG2 THR 112 2HG2 THR 112 4.550 9.846 13.755 866 3HG2 THR 112 3HG2 THR 112 5.071 9.440 12.114 867 H ALA 113 H ALA 113 5.290 5.924 12.487 868 HA ALA 113 HA ALA 113 4.592 3.386 11.437 869 1HB ALA 113 1HB ALA 113 6.533 4.139 13.651 870 2HB ALA 113 2HB ALA 113 6.371 2.527 12.948 871 3HB ALA 113 3HB ALA 113 6.915 3.870 11.941 872 H ALA 114 H ALA 114 3.658 5.054 14.403 873 HA ALA 114 HA ALA 114 2.529 2.976 15.863 874 1HB ALA 114 1HB ALA 114 1.338 5.745 15.362 875 2HB ALA 114 2HB ALA 114 0.942 4.651 16.710 876 3HB ALA 114 3HB ALA 114 2.575 5.334 16.573 877 H THR 115 H THR 115 0.885 4.708 13.093 878 HA THR 115 HA THR 115 -1.312 2.784 13.317 879 HB THR 115 HB THR 115 -1.484 5.278 12.479 880 HG1 THR 115 1HG THR 115 -3.332 4.062 12.624 881 1HG2 THR 115 1HG2 THR 115 -1.727 5.432 10.060 882 2HG2 THR 115 2HG2 THR 115 -0.034 5.023 10.471 883 3HG2 THR 115 3HG2 THR 115 -1.144 3.789 9.833 884 H LEU 116 H LEU 116 1.689 3.154 11.424 885 HA LEU 116 HA LEU 116 1.099 1.242 9.413 886 1HB LEU 116 1HB LEU 116 3.173 2.795 9.719 887 2HB LEU 116 2HB LEU 116 3.836 1.472 10.664 888 HG LEU 116 HG LEU 116 4.794 1.310 8.562 889 1HD1 LEU 116 1HD1 LEU 116 4.170 -0.820 7.702 890 2HD1 LEU 116 2HD1 LEU 116 3.948 -0.854 9.458 891 3HD1 LEU 116 3HD1 LEU 116 2.541 -0.694 8.374 892 1HD2 LEU 116 1HD2 LEU 116 2.077 1.464 7.206 893 2HD2 LEU 116 2HD2 LEU 116 3.299 2.756 7.258 894 3HD2 LEU 116 3HD2 LEU 116 3.652 1.248 6.416 895 H GLU 117 H GLU 117 2.658 0.692 12.657 896 HA GLU 117 HA GLU 117 2.732 -2.133 12.315 897 1HB GLU 117 1HB GLU 117 3.454 -2.286 14.528 898 2HB GLU 117 2HB GLU 117 4.226 -0.887 13.820 899 1HG GLU 117 1HG GLU 117 2.624 0.597 15.027 900 2HG GLU 117 2HG GLU 117 1.924 -0.826 15.797 901 H GLU 118 H GLU 118 0.351 0.000 13.907 902 HA GLU 118 HA GLU 118 -1.452 -1.940 14.922 903 1HB GLU 118 1HB GLU 118 -1.532 0.408 15.421 904 2HB GLU 118 2HB GLU 118 -1.816 0.796 13.723 905 1HG GLU 118 1HG GLU 118 -3.842 1.002 14.923 906 2HG GLU 118 2HG GLU 118 -3.948 -0.345 13.783 907 H LYS 119 H LYS 119 -1.228 -0.504 11.619 908 HA LYS 119 HA LYS 119 -3.376 -2.120 10.607 909 1HB LYS 119 1HB LYS 119 -1.233 -0.371 9.388 910 2HB LYS 119 2HB LYS 119 -2.154 -1.428 8.335 911 1HG LYS 119 1HG LYS 119 -3.332 0.693 10.169 912 2HG LYS 119 2HG LYS 119 -3.086 0.843 8.431 913 1HD LYS 119 1HD LYS 119 -5.072 -0.989 9.847 914 2HD LYS 119 2HD LYS 119 -5.379 0.386 8.805 915 1HE LYS 119 1HE LYS 119 -5.825 -1.314 7.371 916 2HE LYS 119 2HE LYS 119 -4.146 -0.938 6.953 917 1HZ LYS 119 1HZ LYS 119 -5.206 -3.237 8.475 918 2HZ LYS 119 2HZ LYS 119 -4.473 -3.247 7.050 919 3HZ LYS 119 3HZ LYS 119 -3.574 -2.937 8.402 920 H LEU 120 H LEU 120 0.160 -2.609 10.682 921 HA LEU 120 HA LEU 120 0.231 -4.933 9.005 922 1HB LEU 120 1HB LEU 120 1.977 -4.099 11.351 923 2HB LEU 120 2HB LEU 120 2.223 -5.587 10.458 924 HG LEU 120 HG LEU 120 2.373 -2.837 9.204 925 1HD1 LEU 120 1HD1 LEU 120 4.140 -3.157 10.857 926 2HD1 LEU 120 2HD1 LEU 120 4.505 -4.762 10.230 927 3HD1 LEU 120 3HD1 LEU 120 4.848 -3.314 9.241 928 1HD2 LEU 120 1HD2 LEU 120 1.824 -4.521 7.530 929 2HD2 LEU 120 2HD2 LEU 120 3.509 -4.042 7.344 930 3HD2 LEU 120 3HD2 LEU 120 3.116 -5.587 8.127 931 H ASN 121 H ASN 121 0.086 -4.664 12.667 932 HA ASN 121 HA ASN 121 -0.199 -7.378 13.106 933 1HB ASN 121 1HB ASN 121 -0.973 -4.874 14.664 934 2HB ASN 121 2HB ASN 121 -1.015 -6.505 15.295 935 1HD2 ASN 121 1HD2 ASN 121 0.850 -3.947 15.677 936 2HD2 ASN 121 2HD2 ASN 121 2.457 -4.641 15.687 937 H LYS 122 H LYS 122 -2.719 -4.852 12.483 938 HA LYS 122 HA LYS 122 -4.917 -6.626 12.690 939 1HB LYS 122 1HB LYS 122 -4.435 -4.066 11.203 940 2HB LYS 122 2HB LYS 122 -5.793 -5.073 10.676 941 1HG LYS 122 1HG LYS 122 -6.696 -5.161 12.939 942 2HG LYS 122 2HG LYS 122 -5.354 -4.181 13.559 943 1HD LYS 122 1HD LYS 122 -7.049 -3.170 11.258 944 2HD LYS 122 2HD LYS 122 -7.692 -3.094 12.890 945 1HE LYS 122 1HE LYS 122 -4.894 -2.095 12.697 946 2HE LYS 122 2HE LYS 122 -6.029 -1.187 11.686 947 1HZ LYS 122 1HZ LYS 122 -7.461 -0.958 13.645 948 2HZ LYS 122 2HZ LYS 122 -6.308 -1.691 14.575 949 3HZ LYS 122 3HZ LYS 122 -6.006 -0.228 13.845 950 H ILE 123 H ILE 123 -2.957 -6.060 9.633 951 HA ILE 123 HA ILE 123 -4.620 -8.078 8.324 952 HB ILE 123 HB ILE 123 -2.980 -7.981 6.466 953 1HG1 ILE 123 1HG1 ILE 123 -1.590 -5.951 8.221 954 2HG1 ILE 123 2HG1 ILE 123 -0.915 -7.455 7.604 955 1HG2 ILE 123 1HG2 ILE 123 -3.690 -5.794 5.737 956 2HG2 ILE 123 2HG2 ILE 123 -5.003 -6.553 6.636 957 3HG2 ILE 123 3HG2 ILE 123 -4.004 -5.297 7.413 958 1HD1 ILE 123 1HD1 ILE 123 -1.052 -6.502 5.311 959 2HD1 ILE 123 2HD1 ILE 123 -1.677 -4.973 5.994 960 3HD1 ILE 123 3HD1 ILE 123 -0.070 -5.523 6.431 961 H PHE 124 H PHE 124 -1.691 -8.285 10.251 962 HA PHE 124 HA PHE 124 -0.921 -10.967 9.606 963 1HB PHE 124 1HB PHE 124 -0.814 -9.353 12.162 964 2HB PHE 124 2HB PHE 124 -0.235 -10.986 12.015 965 HD1 PHE 124 1HD PHE 124 0.442 -8.670 9.144 966 HD2 PHE 124 2HD PHE 124 1.930 -10.261 12.871 967 HE1 PHE 124 1HE PHE 124 2.688 -7.894 8.565 968 HE2 PHE 124 2HE PHE 124 4.190 -9.491 12.264 969 HZ PHE 124 HZ PHE 124 4.593 -8.306 10.112 970 H GLU 125 H GLU 125 -3.108 -9.680 12.165 971 HA GLU 125 HA GLU 125 -4.065 -12.222 12.876 972 1HB GLU 125 1HB GLU 125 -5.280 -9.408 13.085 973 2HB GLU 125 2HB GLU 125 -5.999 -10.782 13.886 974 1HG GLU 125 1HG GLU 125 -3.118 -9.898 14.396 975 2HG GLU 125 2HG GLU 125 -4.495 -9.226 15.267 976 H LYS 126 H LYS 126 -5.392 -9.839 10.665 977 HA LYS 126 HA LYS 126 -7.879 -11.299 10.309 978 1HB LYS 126 1HB LYS 126 -8.071 -8.961 10.275 979 2HB LYS 126 2HB LYS 126 -6.758 -8.755 9.132 980 1HG LYS 126 1HG LYS 126 -9.035 -8.274 8.232 981 2HG LYS 126 2HG LYS 126 -7.994 -9.314 7.307 982 1HD LYS 126 1HD LYS 126 -9.356 -11.289 8.414 983 2HD LYS 126 2HD LYS 126 -10.528 -10.032 8.790 984 1HE LYS 126 1HE LYS 126 -10.871 -9.539 6.477 985 2HE LYS 126 2HE LYS 126 -9.359 -10.301 5.984 986 1HZ LYS 126 1HZ LYS 126 -11.447 -11.572 5.516 987 2HZ LYS 126 2HZ LYS 126 -10.238 -12.409 6.228 988 3HZ LYS 126 3HZ LYS 126 -11.526 -11.926 7.122 989 H LEU 127 H LEU 127 -5.549 -10.290 7.695 990 HA LEU 127 HA LEU 127 -6.545 -12.243 5.896 991 1HB LEU 127 1HB LEU 127 -3.766 -11.073 5.776 992 2HB LEU 127 2HB LEU 127 -4.771 -11.588 4.445 993 HG LEU 127 HG LEU 127 -5.089 -9.095 6.155 994 1HD1 LEU 127 1HD1 LEU 127 -4.724 -7.884 4.045 995 2HD1 LEU 127 2HD1 LEU 127 -3.364 -8.972 4.382 996 3HD1 LEU 127 3HD1 LEU 127 -4.564 -9.423 3.172 997 1HD2 LEU 127 1HD2 LEU 127 -7.069 -8.482 5.050 998 2HD2 LEU 127 2HD2 LEU 127 -6.915 -9.789 3.848 999 3HD2 LEU 127 3HD2 LEU 127 -7.328 -10.174 5.499 1000 H GLY 128 H GLY 128 -4.148 -12.451 8.477 1001 1HA GLY 128 1HA GLY 128 -3.055 -14.396 9.240 1002 2HA GLY 128 2HA GLY 128 -3.541 -15.254 7.767 1003 H MET 129 H MET 129 -2.123 -11.955 8.181 1004 HA MET 129 HA MET 129 0.007 -12.707 6.214 1005 1HB MET 129 2HB MET 129 -0.397 -10.123 7.740 1006 2HB MET 129 3HB MET 129 0.895 -10.444 6.589 1007 1HG MET 129 2HG MET 129 -2.027 -10.040 6.110 1008 2HG MET 129 3HG MET 129 -0.682 -9.131 5.470 1009 1HE MET 129 1HE MET 129 0.730 -11.430 2.672 1010 2HE MET 129 2HE MET 129 0.946 -9.968 3.660 1011 3HE MET 129 3HE MET 129 1.245 -11.570 4.366 Start of MODEL 18 1 1H MET 1 H MET 1 20.594 -19.395 2.237 2 2H MET 1 2HN MET 1 20.330 -20.192 0.802 3 3H MET 1 3HN MET 1 21.218 -18.803 0.846 4 HA MET 1 HA MET 1 19.070 -18.314 -0.013 5 1HB MET 1 2HB MET 1 18.165 -19.429 2.683 6 2HB MET 1 3HB MET 1 17.118 -18.561 1.559 7 1HG MET 1 2HG MET 1 17.480 -20.242 -0.172 8 2HG MET 1 3HG MET 1 18.590 -21.123 0.881 9 1HE MET 1 1HE MET 1 14.001 -20.983 1.274 10 2HE MET 1 2HE MET 1 14.958 -19.495 1.437 11 3HE MET 1 3HE MET 1 14.942 -20.384 -0.108 12 H ALA 2 H ALA 2 17.510 -16.657 1.741 13 HA ALA 2 HA ALA 2 19.199 -15.573 3.790 14 1HB ALA 2 1HB ALA 2 18.618 -13.221 3.289 15 2HB ALA 2 2HB ALA 2 19.591 -13.906 1.987 16 3HB ALA 2 3HB ALA 2 17.830 -13.730 1.777 17 H ASP 3 H ASP 3 16.784 -13.607 3.985 18 HA ASP 3 HA ASP 3 14.737 -15.470 5.043 19 1HB ASP 3 1HB ASP 3 14.701 -12.450 4.621 20 2HB ASP 3 2HB ASP 3 13.426 -13.395 5.405 21 H LYS 4 H LYS 4 12.383 -14.845 4.045 22 HA LYS 4 HA LYS 4 12.257 -15.319 1.263 23 1HB LYS 4 1HB LYS 4 10.358 -15.324 3.056 24 2HB LYS 4 2HB LYS 4 10.286 -13.583 2.808 25 1HG LYS 4 1HG LYS 4 8.569 -14.536 1.469 26 2HG LYS 4 2HG LYS 4 9.827 -14.052 0.331 27 1HD LYS 4 1HD LYS 4 10.673 -16.442 0.357 28 2HD LYS 4 2HD LYS 4 9.327 -16.876 1.401 29 1HE LYS 4 1HE LYS 4 9.156 -15.755 -1.434 30 2HE LYS 4 2HE LYS 4 8.968 -17.447 -0.980 31 1HZ LYS 4 1HZ LYS 4 6.857 -16.435 -1.302 32 2HZ LYS 4 2HZ LYS 4 6.992 -16.852 0.273 33 3HZ LYS 4 3HZ LYS 4 7.107 -15.271 -0.201 34 H GLU 5 H GLU 5 13.044 -12.369 2.991 35 HA GLU 5 HA GLU 5 13.754 -10.377 2.410 36 1HB GLU 5 1HB GLU 5 15.072 -12.078 0.692 37 2HB GLU 5 2HB GLU 5 14.271 -11.030 -0.463 38 1HG GLU 5 1HG GLU 5 16.309 -9.991 -0.070 39 2HG GLU 5 2HG GLU 5 15.206 -9.067 0.942 40 H LEU 6 H LEU 6 11.204 -10.591 2.690 41 HA LEU 6 HA LEU 6 9.509 -10.458 0.434 42 1HB LEU 6 1HB LEU 6 8.896 -11.110 2.801 43 2HB LEU 6 2HB LEU 6 8.930 -9.398 3.209 44 HG LEU 6 HG LEU 6 7.361 -9.493 0.880 45 1HD1 LEU 6 1HD1 LEU 6 6.574 -11.811 2.667 46 2HD1 LEU 6 2HD1 LEU 6 5.633 -11.186 1.310 47 3HD1 LEU 6 3HD1 LEU 6 7.217 -11.929 1.018 48 1HD2 LEU 6 1HD2 LEU 6 6.923 -8.003 2.716 49 2HD2 LEU 6 2HD2 LEU 6 5.468 -8.984 2.434 50 3HD2 LEU 6 3HD2 LEU 6 6.528 -9.354 3.799 51 H LYS 7 H LYS 7 9.338 -8.860 -1.056 52 HA LYS 7 HA LYS 7 10.564 -6.269 -0.526 53 1HB LYS 7 1HB LYS 7 10.667 -7.820 -2.647 54 2HB LYS 7 2HB LYS 7 9.102 -7.141 -3.077 55 1HG LYS 7 1HG LYS 7 10.021 -4.945 -3.334 56 2HG LYS 7 2HG LYS 7 11.440 -5.350 -2.369 57 1HD LYS 7 1HD LYS 7 12.194 -5.166 -4.567 58 2HD LYS 7 2HD LYS 7 12.266 -6.873 -4.143 59 1HE LYS 7 1HE LYS 7 10.391 -7.420 -5.512 60 2HE LYS 7 2HE LYS 7 9.894 -5.720 -5.643 61 1HZ LYS 7 1HZ LYS 7 11.000 -6.397 -7.652 62 2HZ LYS 7 2HZ LYS 7 11.936 -5.288 -6.877 63 3HZ LYS 7 3HZ LYS 7 12.347 -6.873 -6.833 64 H PHE 8 H PHE 8 9.392 -4.180 -0.691 65 HA PHE 8 HA PHE 8 6.441 -4.373 -0.280 66 1HB PHE 8 1HB PHE 8 8.712 -2.853 1.007 67 2HB PHE 8 2HB PHE 8 7.146 -2.081 0.897 68 HD1 PHE 8 1HD PHE 8 8.778 -5.229 2.241 69 HD2 PHE 8 2HD PHE 8 5.528 -2.411 2.464 70 HE1 PHE 8 1HE PHE 8 8.068 -6.180 4.414 71 HE2 PHE 8 2HE PHE 8 4.840 -3.347 4.644 72 HZ PHE 8 HZ PHE 8 6.142 -5.228 5.646 73 H LEU 9 H LEU 9 5.438 -3.608 -2.265 74 HA LEU 9 HA LEU 9 6.825 -1.446 -3.700 75 1HB LEU 9 1HB LEU 9 5.433 -3.136 -4.885 76 2HB LEU 9 2HB LEU 9 4.002 -2.496 -4.059 77 HG LEU 9 HG LEU 9 4.545 -0.236 -5.080 78 1HD1 LEU 9 1HD1 LEU 9 6.021 -0.306 -7.153 79 2HD1 LEU 9 2HD1 LEU 9 6.875 -0.396 -5.634 80 3HD1 LEU 9 3HD1 LEU 9 6.636 -1.858 -6.598 81 1HD2 LEU 9 1HD2 LEU 9 2.843 -1.696 -6.042 82 2HD2 LEU 9 2HD2 LEU 9 3.701 -0.799 -7.291 83 3HD2 LEU 9 3HD2 LEU 9 4.080 -2.514 -7.033 84 H VAL 10 H VAL 10 6.444 0.716 -3.392 85 HA VAL 10 HA VAL 10 4.229 1.592 -1.623 86 HB VAL 10 HB VAL 10 7.119 2.522 -1.407 87 1HG1 VAL 10 1HG1 VAL 10 6.342 3.696 0.613 88 2HG1 VAL 10 2HG1 VAL 10 5.422 4.218 -0.795 89 3HG1 VAL 10 3HG1 VAL 10 4.684 3.103 0.341 90 1HG2 VAL 10 1HG2 VAL 10 5.542 0.661 0.423 91 2HG2 VAL 10 2HG2 VAL 10 7.028 0.283 -0.469 92 3HG2 VAL 10 3HG2 VAL 10 7.077 1.442 0.856 93 H VAL 11 H VAL 11 2.977 2.699 -3.112 94 HA VAL 11 HA VAL 11 4.347 4.621 -4.953 95 HB VAL 11 HB VAL 11 1.750 3.306 -5.805 96 1HG1 VAL 11 1HG1 VAL 11 2.495 5.325 -6.971 97 2HG1 VAL 11 2HG1 VAL 11 4.055 4.564 -7.324 98 3HG1 VAL 11 3HG1 VAL 11 2.557 3.902 -8.013 99 1HG2 VAL 11 1HG2 VAL 11 3.110 1.395 -5.404 100 2HG2 VAL 11 2HG2 VAL 11 3.141 1.707 -7.129 101 3HG2 VAL 11 3HG2 VAL 11 4.546 2.161 -6.143 102 H ASP 12 H ASP 12 4.010 5.969 -2.888 103 HA ASP 12 HA ASP 12 1.298 7.009 -2.606 104 1HB ASP 12 1HB ASP 12 3.853 8.237 -1.567 105 2HB ASP 12 2HB ASP 12 2.208 8.678 -1.164 106 H ASP 13 H ASP 13 0.539 8.800 -3.658 107 HA ASP 13 HA ASP 13 1.421 9.806 -6.092 108 1HB ASP 13 1HB ASP 13 -0.811 10.175 -5.475 109 2HB ASP 13 2HB ASP 13 -0.371 10.811 -3.879 110 H PHE 14 H PHE 14 2.360 10.786 -2.885 111 HA PHE 14 HA PHE 14 3.676 13.269 -3.873 112 1HB PHE 14 1HB PHE 14 1.730 13.596 -2.411 113 2HB PHE 14 2HB PHE 14 2.391 12.496 -1.225 114 HD1 PHE 14 1HD PHE 14 4.599 15.052 -2.875 115 HD2 PHE 14 2HD PHE 14 2.081 14.148 0.523 116 HE1 PHE 14 1HE PHE 14 5.505 16.989 -1.679 117 HE2 PHE 14 2HE PHE 14 2.960 16.146 1.688 118 HZ PHE 14 HZ PHE 14 4.661 17.584 0.579 119 H SER 15 H SER 15 5.924 13.053 -3.854 120 HA SER 15 HA SER 15 7.212 10.775 -2.976 121 1HB SER 15 1HB SER 15 8.497 13.524 -3.065 122 2HB SER 15 2HB SER 15 9.298 11.949 -3.239 123 HG SER 15 HG SER 15 8.020 11.623 -5.147 124 H THR 16 H THR 16 6.857 13.849 -1.026 125 HA THR 16 HA THR 16 8.288 13.031 1.210 126 HB THR 16 HB THR 16 5.649 14.566 1.149 127 HG1 THR 16 1HG THR 16 7.030 16.383 1.047 128 1HG2 THR 16 1HG2 THR 16 6.215 13.982 3.428 129 2HG2 THR 16 2HG2 THR 16 7.896 14.502 3.203 130 3HG2 THR 16 3HG2 THR 16 6.573 15.679 3.200 131 H MET 17 H MET 17 4.893 12.177 0.326 132 HA MET 17 HA MET 17 4.237 10.905 2.814 133 1HB MET 17 1HB MET 17 2.709 11.786 0.925 134 2HB MET 17 2HB MET 17 3.130 10.315 0.056 135 1HG MET 17 1HG MET 17 1.285 9.561 0.994 136 2HG MET 17 2HG MET 17 2.337 9.196 2.356 137 1HE MET 17 1HE MET 17 -0.736 9.244 2.457 138 2HE MET 17 2HE MET 17 -1.549 10.762 2.912 139 3HE MET 17 3HE MET 17 -0.930 10.535 1.260 140 H ARG 18 H ARG 18 5.862 9.880 -0.220 141 HA ARG 18 HA ARG 18 5.650 7.021 0.282 142 1HB ARG 18 1HB ARG 18 5.909 8.518 -1.937 143 2HB ARG 18 2HB ARG 18 7.601 8.421 -1.597 144 1HG ARG 18 1HG ARG 18 5.726 6.029 -1.952 145 2HG ARG 18 2HG ARG 18 6.691 6.730 -3.236 146 1HD ARG 18 1HD ARG 18 7.794 5.404 -0.732 147 2HD ARG 18 2HD ARG 18 7.802 4.757 -2.378 148 HE ARG 18 HE ARG 18 8.979 7.261 -2.574 149 1HH1 ARG 18 2HH2 ARG 18 9.732 4.121 -1.287 150 2HH1 ARG 18 1HH2 ARG 18 11.351 4.169 -1.856 151 1HH2 ARG 18 2HH1 ARG 18 11.208 7.533 -2.830 152 2HH2 ARG 18 1HH1 ARG 18 12.327 6.341 -2.240 153 H ARG 19 H ARG 19 8.061 9.540 0.538 154 HA ARG 19 HA ARG 19 10.328 8.215 1.599 155 1HB ARG 19 1HB ARG 19 9.185 11.016 1.918 156 2HB ARG 19 2HB ARG 19 10.662 10.530 2.704 157 1HG ARG 19 1HG ARG 19 10.721 9.728 -0.117 158 2HG ARG 19 2HG ARG 19 10.286 11.434 -0.002 159 1HD ARG 19 1HD ARG 19 12.547 10.351 1.676 160 2HD ARG 19 2HD ARG 19 12.792 10.651 -0.052 161 HE ARG 19 HE ARG 19 11.575 12.941 1.114 162 1HH1 ARG 19 2HH2 ARG 19 14.679 11.249 1.301 163 2HH1 ARG 19 1HH2 ARG 19 15.640 12.669 1.065 164 1HH2 ARG 19 2HH1 ARG 19 12.768 14.807 0.875 165 2HH2 ARG 19 1HH1 ARG 19 14.500 14.842 1.008 166 H ILE 20 H ILE 20 7.545 9.771 3.291 167 HA ILE 20 HA ILE 20 8.328 8.997 5.899 168 HB ILE 20 HB ILE 20 5.842 10.113 4.657 169 1HG1 ILE 20 1HG1 ILE 20 6.036 11.520 6.789 170 2HG1 ILE 20 2HG1 ILE 20 7.497 10.636 7.194 171 1HG2 ILE 20 1HG2 ILE 20 4.834 8.296 5.893 172 2HG2 ILE 20 2HG2 ILE 20 5.784 8.700 7.346 173 3HG2 ILE 20 3HG2 ILE 20 4.534 9.810 6.725 174 1HD1 ILE 20 1HD1 ILE 20 7.990 12.815 6.211 175 2HD1 ILE 20 2HD1 ILE 20 8.551 11.548 5.098 176 3HD1 ILE 20 3HD1 ILE 20 7.031 12.438 4.798 177 H VAL 21 H VAL 21 5.829 7.345 3.789 178 HA VAL 21 HA VAL 21 5.443 5.219 5.516 179 HB VAL 21 HB VAL 21 5.370 5.265 2.462 180 1HG1 VAL 21 1HG1 VAL 21 5.509 2.915 3.116 181 2HG1 VAL 21 2HG1 VAL 21 4.284 3.149 4.385 182 3HG1 VAL 21 3HG1 VAL 21 3.850 3.288 2.662 183 1HG2 VAL 21 1HG2 VAL 21 3.145 5.413 4.551 184 2HG2 VAL 21 2HG2 VAL 21 3.773 6.805 3.636 185 3HG2 VAL 21 3HG2 VAL 21 2.957 5.513 2.781 186 H ARG 22 H ARG 22 7.940 5.363 2.919 187 HA ARG 22 HA ARG 22 9.115 2.827 3.425 188 1HB ARG 22 1HB ARG 22 9.613 4.280 1.457 189 2HB ARG 22 2HB ARG 22 10.423 5.424 2.523 190 1HG ARG 22 1HG ARG 22 11.951 3.329 3.163 191 2HG ARG 22 2HG ARG 22 11.267 2.624 1.723 192 1HD ARG 22 1HD ARG 22 12.884 3.680 0.562 193 2HD ARG 22 2HD ARG 22 12.060 5.202 0.872 194 HE ARG 22 HE ARG 22 14.550 4.261 1.910 195 1HH1 ARG 22 2HH2 ARG 22 11.857 6.458 2.797 196 2HH1 ARG 22 1HH2 ARG 22 12.883 7.432 3.797 197 1HH2 ARG 22 2HH1 ARG 22 15.776 5.476 3.491 198 2HH2 ARG 22 1HH1 ARG 22 15.027 6.875 4.205 199 H ASN 23 H ASN 23 9.869 6.032 4.932 200 HA ASN 23 HA ASN 23 12.014 5.041 6.557 201 1HB ASN 23 1HB ASN 23 11.743 7.441 6.123 202 2HB ASN 23 2HB ASN 23 10.189 7.451 6.966 203 1HD2 ASN 23 1HD2 ASN 23 10.270 7.992 9.191 204 2HD2 ASN 23 2HD2 ASN 23 11.703 7.763 10.161 205 H LEU 24 H LEU 24 8.486 5.343 7.139 206 HA LEU 24 HA LEU 24 8.555 4.536 9.890 207 1HB LEU 24 1HB LEU 24 6.339 4.195 7.827 208 2HB LEU 24 2HB LEU 24 6.153 4.004 9.564 209 HG LEU 24 HG LEU 24 6.853 6.611 8.151 210 1HD1 LEU 24 1HD1 LEU 24 4.270 5.563 9.316 211 2HD1 LEU 24 2HD1 LEU 24 4.552 7.252 8.802 212 3HD1 LEU 24 3HD1 LEU 24 4.639 5.933 7.631 213 1HD2 LEU 24 1HD2 LEU 24 6.605 6.019 11.080 214 2HD2 LEU 24 2HD2 LEU 24 7.889 6.807 10.214 215 3HD2 LEU 24 3HD2 LEU 24 6.341 7.644 10.399 216 H LEU 25 H LEU 25 8.218 2.654 6.848 217 HA LEU 25 HA LEU 25 7.935 0.111 8.153 218 1HB LEU 25 1HB LEU 25 8.843 1.001 5.398 219 2HB LEU 25 2HB LEU 25 8.865 -0.702 5.849 220 HG LEU 25 HG LEU 25 6.345 0.932 6.315 221 1HD1 LEU 25 1HD1 LEU 25 7.019 1.282 3.948 222 2HD1 LEU 25 2HD1 LEU 25 6.951 -0.484 3.704 223 3HD1 LEU 25 3HD1 LEU 25 5.493 0.436 4.174 224 1HD2 LEU 25 1HD2 LEU 25 5.305 -1.327 5.918 225 2HD2 LEU 25 2HD2 LEU 25 6.935 -2.012 5.795 226 3HD2 LEU 25 3HD2 LEU 25 6.393 -1.290 7.320 227 H LYS 26 H LYS 26 10.822 1.808 6.880 228 HA LYS 26 HA LYS 26 12.750 -0.115 7.676 229 1HB LYS 26 1HB LYS 26 12.885 2.906 7.318 230 2HB LYS 26 2HB LYS 26 14.306 1.944 7.678 231 1HG LYS 26 1HG LYS 26 12.583 1.130 5.324 232 2HG LYS 26 2HG LYS 26 13.597 2.557 5.164 233 1HD LYS 26 1HD LYS 26 14.707 -0.139 6.049 234 2HD LYS 26 2HD LYS 26 14.595 0.368 4.351 235 1HE LYS 26 1HE LYS 26 15.927 2.395 4.849 236 2HE LYS 26 2HE LYS 26 16.104 1.877 6.530 237 1HZ LYS 26 1HZ LYS 26 17.997 1.357 5.044 238 2HZ LYS 26 2HZ LYS 26 17.422 0.039 5.824 239 3HZ LYS 26 3HZ LYS 26 17.074 0.246 4.254 240 H GLU 27 H GLU 27 11.354 2.633 9.528 241 HA GLU 27 HA GLU 27 12.870 2.420 11.880 242 1HB GLU 27 1HB GLU 27 9.932 3.101 11.456 243 2HB GLU 27 2HB GLU 27 10.686 3.188 13.021 244 1HG GLU 27 1HG GLU 27 12.157 4.674 10.903 245 2HG GLU 27 2HG GLU 27 10.499 5.225 11.188 246 H LEU 28 H LEU 28 9.842 0.678 10.990 247 HA LEU 28 HA LEU 28 9.791 -0.905 13.383 248 1HB LEU 28 1HB LEU 28 8.563 -1.457 10.656 249 2HB LEU 28 2HB LEU 28 8.240 -2.402 12.111 250 HG LEU 28 HG LEU 28 7.678 0.582 11.871 251 1HD1 LEU 28 1HD1 LEU 28 5.765 -1.764 11.600 252 2HD1 LEU 28 2HD1 LEU 28 5.333 -0.036 11.591 253 3HD1 LEU 28 3HD1 LEU 28 6.315 -0.700 10.280 254 1HD2 LEU 28 1HD2 LEU 28 6.283 0.242 13.882 255 2HD2 LEU 28 2HD2 LEU 28 6.815 -1.455 13.968 256 3HD2 LEU 28 3HD2 LEU 28 7.964 -0.123 14.209 257 H GLY 29 H GLY 29 11.048 -1.505 10.120 258 1HA GLY 29 1HA GLY 29 13.404 -2.440 10.280 259 2HA GLY 29 2HA GLY 29 12.647 -3.837 11.060 260 H PHE 30 H PHE 30 10.263 -3.113 9.074 261 HA PHE 30 HA PHE 30 10.828 -5.181 7.142 262 1HB PHE 30 1HB PHE 30 8.608 -3.125 7.450 263 2HB PHE 30 2HB PHE 30 8.663 -4.311 6.160 264 HD1 PHE 30 1HD PHE 30 7.419 -3.727 9.439 265 HD2 PHE 30 2HD PHE 30 9.004 -6.848 6.908 266 HE1 PHE 30 1HE PHE 30 6.363 -5.452 10.882 267 HE2 PHE 30 2HE PHE 30 7.964 -8.555 8.368 268 HZ PHE 30 HZ PHE 30 6.650 -7.868 10.359 269 H ASN 31 H ASN 31 11.560 -4.964 4.973 270 HA ASN 31 HA ASN 31 11.995 -2.289 3.916 271 1HB ASN 31 1HB ASN 31 14.262 -2.058 4.246 272 2HB ASN 31 2HB ASN 31 13.763 -2.733 5.776 273 1HD2 ASN 31 1HD2 ASN 31 13.786 -5.459 5.574 274 2HD2 ASN 31 2HD2 ASN 31 15.244 -6.059 4.851 275 H ASN 32 H ASN 32 13.934 -2.568 2.224 276 HA ASN 32 HA ASN 32 14.233 -2.822 0.094 277 1HB ASN 32 1HB ASN 32 14.553 -5.358 0.616 278 2HB ASN 32 2HB ASN 32 12.978 -5.562 -0.142 279 1HD2 ASN 32 1HD2 ASN 32 13.533 -6.340 -2.224 280 2HD2 ASN 32 2HD2 ASN 32 14.697 -5.601 -3.307 281 H VAL 33 H VAL 33 12.772 -1.099 -0.110 282 HA VAL 33 HA VAL 33 10.041 -1.917 -0.829 283 HB VAL 33 HB VAL 33 9.529 0.458 -1.087 284 1HG1 VAL 33 1HG1 VAL 33 10.750 -0.223 1.627 285 2HG1 VAL 33 2HG1 VAL 33 9.556 1.051 1.291 286 3HG1 VAL 33 3HG1 VAL 33 9.116 -0.636 1.066 287 1HG2 VAL 33 1HG2 VAL 33 11.867 1.240 -1.648 288 2HG2 VAL 33 2HG2 VAL 33 10.993 2.207 -0.467 289 3HG2 VAL 33 3HG2 VAL 33 12.256 1.089 0.083 290 H GLU 34 H GLU 34 9.198 -1.130 -2.888 291 HA GLU 34 HA GLU 34 11.181 -0.513 -5.009 292 1HB GLU 34 1HB GLU 34 8.609 -2.131 -5.189 293 2HB GLU 34 2HB GLU 34 9.282 -1.293 -6.585 294 1HG GLU 34 1HG GLU 34 10.802 -3.356 -4.959 295 2HG GLU 34 2HG GLU 34 9.805 -3.757 -6.349 296 H GLU 35 H GLU 35 10.472 1.351 -6.109 297 HA GLU 35 HA GLU 35 7.922 2.615 -5.161 298 1HB GLU 35 1HB GLU 35 10.229 3.816 -6.777 299 2HB GLU 35 2HB GLU 35 8.681 4.590 -6.429 300 1HG GLU 35 1HG GLU 35 9.772 5.485 -4.686 301 2HG GLU 35 2HG GLU 35 9.352 3.976 -3.895 302 H ALA 36 H ALA 36 6.652 3.480 -6.975 303 HA ALA 36 HA ALA 36 7.284 2.409 -9.602 304 1HB ALA 36 1HB ALA 36 4.395 2.636 -8.762 305 2HB ALA 36 2HB ALA 36 5.087 1.797 -10.146 306 3HB ALA 36 3HB ALA 36 5.275 1.111 -8.546 307 H GLU 37 H GLU 37 6.234 3.899 -11.207 308 HA GLU 37 HA GLU 37 6.676 6.663 -10.396 309 1HB GLU 37 1HB GLU 37 5.478 5.626 -13.006 310 2HB GLU 37 2HB GLU 37 6.213 7.203 -12.697 311 1HG GLU 37 1HG GLU 37 8.327 5.663 -12.031 312 2HG GLU 37 2HG GLU 37 7.517 4.521 -13.112 313 H ASP 38 H ASP 38 3.857 4.552 -10.705 314 HA ASP 38 HA ASP 38 1.814 6.547 -10.139 315 1HB ASP 38 1HB ASP 38 2.512 7.211 -12.422 316 2HB ASP 38 2HB ASP 38 2.505 5.528 -12.949 317 H GLY 39 H GLY 39 -0.265 5.355 -9.998 318 1HA GLY 39 1HA GLY 39 -0.555 2.759 -9.360 319 2HA GLY 39 2HA GLY 39 -1.774 3.657 -10.252 320 H VAL 40 H VAL 40 -0.520 3.874 -12.862 321 HA VAL 40 HA VAL 40 -1.117 1.247 -13.851 322 HB VAL 40 HB VAL 40 0.291 3.573 -15.241 323 1HG1 VAL 40 1HG1 VAL 40 -0.669 2.475 -17.305 324 2HG1 VAL 40 2HG1 VAL 40 0.583 1.521 -16.510 325 3HG1 VAL 40 3HG1 VAL 40 -1.129 1.106 -16.273 326 1HG2 VAL 40 1HG2 VAL 40 -1.922 4.168 -16.143 327 2HG2 VAL 40 2HG2 VAL 40 -2.671 2.834 -15.256 328 3HG2 VAL 40 3HG2 VAL 40 -1.988 4.230 -14.385 329 H ASP 41 H ASP 41 1.891 2.893 -12.953 330 HA ASP 41 HA ASP 41 3.649 0.795 -14.009 331 1HB ASP 41 1HB ASP 41 4.445 3.165 -13.721 332 2HB ASP 41 2HB ASP 41 4.255 2.985 -11.991 333 H ALA 42 H ALA 42 1.890 1.539 -10.982 334 HA ALA 42 HA ALA 42 3.286 -0.229 -9.308 335 1HB ALA 42 1HB ALA 42 1.428 -0.050 -7.803 336 2HB ALA 42 2HB ALA 42 1.522 1.524 -8.631 337 3HB ALA 42 3HB ALA 42 0.298 0.336 -9.096 338 H LEU 43 H LEU 43 0.310 -0.739 -11.257 339 HA LEU 43 HA LEU 43 0.034 -3.492 -10.691 340 1HB LEU 43 1HB LEU 43 -1.604 -1.874 -11.905 341 2HB LEU 43 2HB LEU 43 -0.681 -2.246 -13.352 342 HG LEU 43 HG LEU 43 -1.117 -4.777 -12.644 343 1HD1 LEU 43 1HD1 LEU 43 -3.501 -3.415 -11.322 344 2HD1 LEU 43 2HD1 LEU 43 -3.174 -5.157 -11.441 345 3HD1 LEU 43 3HD1 LEU 43 -2.153 -4.131 -10.423 346 1HD2 LEU 43 1HD2 LEU 43 -3.228 -4.781 -13.931 347 2HD2 LEU 43 2HD2 LEU 43 -3.310 -3.009 -13.782 348 3HD2 LEU 43 3HD2 LEU 43 -1.995 -3.772 -14.691 349 H ASN 44 H ASN 44 1.984 -1.890 -13.210 350 HA ASN 44 HA ASN 44 2.909 -4.240 -14.587 351 1HB ASN 44 1HB ASN 44 4.039 -1.440 -14.232 352 2HB ASN 44 2HB ASN 44 5.073 -2.712 -14.826 353 1HD2 ASN 44 1HD2 ASN 44 2.224 -0.741 -15.611 354 2HD2 ASN 44 2HD2 ASN 44 2.269 -1.152 -17.311 355 H LYS 45 H LYS 45 4.292 -2.451 -11.807 356 HA LYS 45 HA LYS 45 6.518 -4.118 -11.353 357 1HB LYS 45 1HB LYS 45 4.873 -2.543 -9.329 358 2HB LYS 45 2HB LYS 45 6.459 -3.198 -9.051 359 1HG LYS 45 1HG LYS 45 6.268 -1.427 -11.440 360 2HG LYS 45 2HG LYS 45 5.980 -0.650 -9.875 361 1HD LYS 45 1HD LYS 45 8.101 -1.512 -9.025 362 2HD LYS 45 2HD LYS 45 8.396 -2.352 -10.561 363 1HE LYS 45 1HE LYS 45 8.230 0.648 -10.093 364 2HE LYS 45 2HE LYS 45 9.680 -0.308 -10.412 365 1HZ LYS 45 1HZ LYS 45 7.587 0.522 -12.280 366 2HZ LYS 45 2HZ LYS 45 9.221 0.594 -12.397 367 3HZ LYS 45 3HZ LYS 45 8.453 -0.840 -12.613 368 H LEU 46 H LEU 46 3.186 -4.401 -9.970 369 HA LEU 46 HA LEU 46 3.717 -6.672 -8.362 370 1HB LEU 46 1HB LEU 46 1.114 -6.479 -9.892 371 2HB LEU 46 2HB LEU 46 1.400 -7.131 -8.284 372 HG LEU 46 HG LEU 46 1.349 -4.264 -9.132 373 1HD1 LEU 46 1HD1 LEU 46 -0.809 -5.433 -9.023 374 2HD1 LEU 46 2HD1 LEU 46 -0.530 -5.688 -7.285 375 3HD1 LEU 46 3HD1 LEU 46 -0.624 -4.037 -7.955 376 1HD2 LEU 46 1HD2 LEU 46 1.706 -5.330 -6.319 377 2HD2 LEU 46 2HD2 LEU 46 2.987 -4.549 -7.271 378 3HD2 LEU 46 3HD2 LEU 46 1.558 -3.624 -6.816 379 H GLN 47 H GLN 47 2.680 -6.467 -11.780 380 HA GLN 47 HA GLN 47 2.668 -9.368 -12.080 381 1HB GLN 47 1HB GLN 47 2.198 -7.124 -14.075 382 2HB GLN 47 2HB GLN 47 1.975 -8.852 -14.391 383 1HG GLN 47 1HG GLN 47 0.365 -8.949 -12.446 384 2HG GLN 47 2HG GLN 47 0.452 -7.188 -12.354 385 1HE2 GLN 47 1HE2 GLN 47 -0.172 -9.779 -14.833 386 2HE2 GLN 47 2HE2 GLN 47 -1.518 -8.918 -15.569 387 H ALA 48 H ALA 48 5.269 -7.315 -11.905 388 HA ALA 48 HA ALA 48 6.994 -8.631 -13.810 389 1HB ALA 48 1HB ALA 48 7.722 -7.525 -11.060 390 2HB ALA 48 2HB ALA 48 8.806 -7.865 -12.421 391 3HB ALA 48 3HB ALA 48 7.625 -6.554 -12.550 392 H GLY 49 H GLY 49 6.229 -9.244 -10.276 393 1HA GLY 49 1HA GLY 49 5.688 -11.954 -10.654 394 2HA GLY 49 2HA GLY 49 7.421 -11.885 -10.376 395 H GLY 50 H GLY 50 4.261 -11.265 -8.997 396 1HA GLY 50 1HA GLY 50 3.431 -11.529 -6.883 397 2HA GLY 50 2HA GLY 50 4.601 -12.817 -6.871 398 H TYR 51 H TYR 51 3.971 -9.499 -5.890 399 HA TYR 51 HA TYR 51 6.451 -9.304 -4.299 400 1HB TYR 51 1HB TYR 51 4.058 -7.487 -4.774 401 2HB TYR 51 2HB TYR 51 5.358 -7.078 -3.668 402 HD1 TYR 51 1HD TYR 51 7.153 -8.737 -6.244 403 HD2 TYR 51 2HD TYR 51 4.898 -5.141 -5.435 404 HE1 TYR 51 1HE TYR 51 8.491 -7.551 -7.877 405 HE2 TYR 51 2HE TYR 51 6.312 -3.915 -7.048 406 HH TYR 51 HH TYR 51 8.943 -5.538 -8.900 407 H GLY 52 H GLY 52 6.155 -8.308 -2.039 408 1HA GLY 52 1HA GLY 52 4.473 -10.012 -0.339 409 2HA GLY 52 2HA GLY 52 5.599 -8.719 0.143 410 H PHE 53 H PHE 53 5.004 -6.458 -0.555 411 HA PHE 53 HA PHE 53 2.116 -6.113 0.132 412 1HB PHE 53 1HB PHE 53 4.593 -4.512 0.803 413 2HB PHE 53 2HB PHE 53 2.993 -3.818 0.890 414 HD1 PHE 53 1HD PHE 53 1.827 -3.844 2.876 415 HD2 PHE 53 2HD PHE 53 4.871 -6.808 2.166 416 HE1 PHE 53 1HE PHE 53 1.732 -4.504 5.238 417 HE2 PHE 53 2HE PHE 53 4.707 -7.545 4.530 418 HZ PHE 53 HZ PHE 53 3.207 -6.352 6.091 419 H VAL 54 H VAL 54 0.901 -4.529 -0.735 420 HA VAL 54 HA VAL 54 2.026 -2.854 -2.904 421 HB VAL 54 HB VAL 54 -0.876 -3.795 -2.825 422 1HG1 VAL 54 1HG1 VAL 54 -0.545 -3.463 -5.349 423 2HG1 VAL 54 2HG1 VAL 54 -0.540 -1.999 -4.362 424 3HG1 VAL 54 3HG1 VAL 54 0.992 -2.698 -4.949 425 1HG2 VAL 54 1HG2 VAL 54 -0.329 -5.498 -4.457 426 2HG2 VAL 54 2HG2 VAL 54 1.422 -5.252 -4.139 427 3HG2 VAL 54 3HG2 VAL 54 0.342 -5.844 -2.863 428 H ILE 55 H ILE 55 2.460 -1.121 -1.489 429 HA ILE 55 HA ILE 55 0.160 -0.108 0.070 430 HB ILE 55 HB ILE 55 3.037 0.756 0.414 431 1HG1 ILE 55 1HG1 ILE 55 1.573 -1.535 1.778 432 2HG1 ILE 55 2HG1 ILE 55 3.070 -1.603 0.848 433 1HG2 ILE 55 1HG2 ILE 55 1.244 2.271 1.227 434 2HG2 ILE 55 2HG2 ILE 55 0.586 0.955 2.218 435 3HG2 ILE 55 3HG2 ILE 55 2.196 1.630 2.559 436 1HD1 ILE 55 1HD1 ILE 55 2.802 -0.298 3.577 437 2HD1 ILE 55 2HD1 ILE 55 3.497 -1.872 3.218 438 3HD1 ILE 55 3HD1 ILE 55 4.274 -0.413 2.568 439 H SER 56 H SER 56 -0.816 1.765 -0.722 440 HA SER 56 HA SER 56 0.845 3.499 -2.410 441 1HB SER 56 1HB SER 56 -0.563 3.421 -4.389 442 2HB SER 56 2HB SER 56 0.024 1.795 -4.039 443 HG SER 56 HG SER 56 -2.521 2.923 -3.639 444 H ASP 57 H ASP 57 -0.209 5.445 -3.035 445 HA ASP 57 HA ASP 57 -2.355 6.400 -1.235 446 1HB ASP 57 1HB ASP 57 -0.608 8.002 -1.751 447 2HB ASP 57 2HB ASP 57 -0.779 7.672 -3.480 448 H TRP 58 H TRP 58 -4.028 7.661 -2.761 449 HA TRP 58 HA TRP 58 -5.414 5.630 -4.430 450 1HB TRP 58 1HB TRP 58 -6.330 6.098 -2.223 451 2HB TRP 58 2HB TRP 58 -6.255 7.820 -2.511 452 HD1 TRP 58 HD TRP 58 -7.998 8.700 -4.601 453 HE1 TRP 58 1HE TRP 58 -10.455 8.031 -4.890 454 HE3 TRP 58 3HE TRP 58 -7.901 4.324 -2.014 455 HZ2 TRP 58 2HZ TRP 58 -12.216 5.927 -3.925 456 HZ3 TRP 58 3HZ TRP 58 -10.007 3.073 -1.602 457 HH2 TRP 58 HH TRP 58 -12.123 3.857 -2.503 458 H ASN 59 H ASN 59 -4.265 8.973 -4.222 459 HA ASN 59 HA ASN 59 -6.355 10.117 -5.775 460 1HB ASN 59 1HB ASN 59 -4.817 10.990 -3.735 461 2HB ASN 59 2HB ASN 59 -3.859 11.632 -5.055 462 1HD2 ASN 59 1HD2 ASN 59 -7.033 11.659 -3.453 463 2HD2 ASN 59 2HD2 ASN 59 -7.607 13.147 -4.189 464 H MET 60 H MET 60 -4.628 8.213 -7.259 465 HA MET 60 HA MET 60 -3.040 9.805 -9.128 466 1HB MET 60 1HB MET 60 -3.088 7.079 -8.315 467 2HB MET 60 2HB MET 60 -3.664 7.060 -9.964 468 1HG MET 60 1HG MET 60 -1.376 6.734 -10.073 469 2HG MET 60 2HG MET 60 -1.615 8.365 -10.635 470 1HE MET 60 1HE MET 60 -0.504 10.389 -9.753 471 2HE MET 60 2HE MET 60 -1.338 10.458 -8.177 472 3HE MET 60 3HE MET 60 0.422 10.538 -8.247 473 HA PRO 61 HA PRO 61 -6.420 9.825 -12.216 474 1HB PRO 61 1HB PRO 61 -5.039 10.729 -14.384 475 2HB PRO 61 2HB PRO 61 -5.428 11.797 -13.005 476 1HG PRO 61 1HG PRO 61 -2.839 10.301 -13.532 477 2HG PRO 61 2HG PRO 61 -3.052 12.043 -13.150 478 1HD PRO 61 1HD PRO 61 -2.464 10.161 -11.252 479 2HD PRO 61 2HD PRO 61 -3.465 11.592 -10.884 480 H ASN 62 H ASN 62 -6.251 8.905 -14.662 481 HA ASN 62 HA ASN 62 -6.257 7.087 -15.961 482 1HB ASN 62 1HB ASN 62 -3.393 6.835 -14.977 483 2HB ASN 62 2HB ASN 62 -4.111 5.760 -16.186 484 1HD2 ASN 62 1HD2 ASN 62 -2.077 6.814 -17.375 485 2HD2 ASN 62 2HD2 ASN 62 -2.490 8.276 -18.259 486 H MET 63 H MET 63 -4.204 5.147 -13.897 487 HA MET 63 HA MET 63 -6.545 3.462 -13.198 488 1HB MET 63 1HB MET 63 -4.695 2.300 -14.303 489 2HB MET 63 2HB MET 63 -3.571 2.837 -13.040 490 1HG MET 63 1HG MET 63 -4.777 1.584 -11.360 491 2HG MET 63 2HG MET 63 -6.047 1.163 -12.499 492 1HE MET 63 1HE MET 63 -4.842 0.181 -15.120 493 2HE MET 63 2HE MET 63 -4.658 -1.542 -14.755 494 3HE MET 63 3HE MET 63 -6.073 -0.660 -14.148 495 H ASP 64 H ASP 64 -7.363 4.928 -11.717 496 HA ASP 64 HA ASP 64 -5.828 6.160 -9.637 497 1HB ASP 64 1HB ASP 64 -7.788 6.969 -8.826 498 2HB ASP 64 2HB ASP 64 -8.229 6.764 -10.509 499 H GLY 65 H GLY 65 -5.957 5.612 -7.275 500 1HA GLY 65 1HA GLY 65 -4.951 3.040 -6.993 501 2HA GLY 65 2HA GLY 65 -5.415 4.063 -5.658 502 H LEU 66 H LEU 66 -8.378 3.984 -6.818 503 HA LEU 66 HA LEU 66 -9.045 1.593 -5.291 504 1HB LEU 66 1HB LEU 66 -10.303 3.827 -5.278 505 2HB LEU 66 2HB LEU 66 -10.997 3.365 -6.818 506 HG LEU 66 HG LEU 66 -12.285 2.970 -4.611 507 1HD1 LEU 66 1HD1 LEU 66 -12.188 0.572 -6.416 508 2HD1 LEU 66 2HD1 LEU 66 -13.482 1.056 -5.302 509 3HD1 LEU 66 3HD1 LEU 66 -13.112 2.065 -6.714 510 1HD2 LEU 66 1HD2 LEU 66 -10.728 0.367 -4.530 511 2HD2 LEU 66 2HD2 LEU 66 -10.399 1.733 -3.449 512 3HD2 LEU 66 3HD2 LEU 66 -11.975 0.928 -3.417 513 H GLU 67 H GLU 67 -8.908 2.598 -8.719 514 HA GLU 67 HA GLU 67 -10.159 0.062 -9.519 515 1HB GLU 67 1HB GLU 67 -10.314 0.819 -11.614 516 2HB GLU 67 2HB GLU 67 -10.508 2.282 -10.697 517 1HG GLU 67 1HG GLU 67 -8.895 3.248 -11.901 518 2HG GLU 67 2HG GLU 67 -7.707 2.097 -11.312 519 H LEU 68 H LEU 68 -6.921 1.368 -9.084 520 HA LEU 68 HA LEU 68 -5.378 -0.810 -10.077 521 1HB LEU 68 1HB LEU 68 -4.390 1.320 -9.241 522 2HB LEU 68 2HB LEU 68 -4.996 0.959 -7.634 523 HG LEU 68 HG LEU 68 -3.517 -1.058 -7.522 524 1HD1 LEU 68 1HD1 LEU 68 -1.609 -1.175 -9.142 525 2HD1 LEU 68 2HD1 LEU 68 -3.167 -1.511 -9.910 526 3HD1 LEU 68 3HD1 LEU 68 -2.406 0.072 -10.125 527 1HD2 LEU 68 1HD2 LEU 68 -2.150 1.612 -8.033 528 2HD2 LEU 68 2HD2 LEU 68 -2.867 1.072 -6.502 529 3HD2 LEU 68 3HD2 LEU 68 -1.452 0.232 -7.145 530 H LEU 69 H LEU 69 -6.768 -0.209 -6.802 531 HA LEU 69 HA LEU 69 -6.297 -2.748 -5.646 532 1HB LEU 69 1HB LEU 69 -6.979 -1.013 -4.230 533 2HB LEU 69 2HB LEU 69 -8.386 -0.608 -5.199 534 HG LEU 69 HG LEU 69 -9.587 -2.559 -4.506 535 1HD1 LEU 69 1HD1 LEU 69 -7.009 -3.373 -3.225 536 2HD1 LEU 69 2HD1 LEU 69 -8.574 -4.116 -2.755 537 3HD1 LEU 69 3HD1 LEU 69 -7.948 -4.331 -4.369 538 1HD2 LEU 69 1HD2 LEU 69 -9.542 -0.671 -2.817 539 2HD2 LEU 69 2HD2 LEU 69 -9.709 -2.251 -2.055 540 3HD2 LEU 69 3HD2 LEU 69 -8.137 -1.429 -2.066 541 H LYS 70 H LYS 70 -9.306 -1.631 -7.396 542 HA LYS 70 HA LYS 70 -10.421 -4.264 -7.193 543 1HB LYS 70 1HB LYS 70 -11.148 -1.947 -9.007 544 2HB LYS 70 2HB LYS 70 -12.015 -3.499 -9.003 545 1HG LYS 70 1HG LYS 70 -12.465 -3.294 -6.595 546 2HG LYS 70 2HG LYS 70 -11.664 -1.713 -6.550 547 1HD LYS 70 1HD LYS 70 -13.356 -0.749 -8.026 548 2HD LYS 70 2HD LYS 70 -14.010 -2.361 -8.352 549 1HE LYS 70 1HE LYS 70 -14.588 -2.605 -5.931 550 2HE LYS 70 2HE LYS 70 -14.090 -0.916 -5.671 551 1HZ LYS 70 1HZ LYS 70 -15.871 -0.185 -7.033 552 2HZ LYS 70 2HZ LYS 70 -16.182 -1.718 -7.592 553 3HZ LYS 70 3HZ LYS 70 -16.511 -1.344 -6.037 554 H THR 71 H THR 71 -8.232 -2.976 -9.698 555 HA THR 71 HA THR 71 -8.486 -5.216 -11.462 556 HB THR 71 HB THR 71 -6.158 -3.326 -10.914 557 HG1 THR 71 1HG THR 71 -7.804 -2.202 -11.794 558 1HG2 THR 71 1HG2 THR 71 -5.335 -4.008 -13.125 559 2HG2 THR 71 2HG2 THR 71 -5.336 -5.380 -12.014 560 3HG2 THR 71 3HG2 THR 71 -6.603 -5.241 -13.243 561 H ILE 72 H ILE 72 -6.259 -4.542 -8.681 562 HA ILE 72 HA ILE 72 -4.827 -6.979 -8.738 563 HB ILE 72 HB ILE 72 -5.520 -4.939 -6.566 564 1HG1 ILE 72 1HG1 ILE 72 -2.851 -5.722 -7.802 565 2HG1 ILE 72 2HG1 ILE 72 -3.876 -4.459 -8.478 566 1HG2 ILE 72 1HG2 ILE 72 -3.792 -6.089 -5.128 567 2HG2 ILE 72 2HG2 ILE 72 -5.248 -7.048 -5.338 568 3HG2 ILE 72 3HG2 ILE 72 -3.793 -7.415 -6.271 569 1HD1 ILE 72 1HD1 ILE 72 -2.473 -4.421 -5.799 570 2HD1 ILE 72 2HD1 ILE 72 -2.389 -3.241 -7.117 571 3HD1 ILE 72 3HD1 ILE 72 -3.845 -3.341 -6.147 572 H ARG 73 H ARG 73 -7.777 -6.057 -7.001 573 HA ARG 73 HA ARG 73 -8.193 -8.493 -5.646 574 1HB ARG 73 1HB ARG 73 -9.409 -5.882 -5.819 575 2HB ARG 73 2HB ARG 73 -10.692 -7.014 -6.046 576 1HG ARG 73 1HG ARG 73 -8.810 -7.661 -3.780 577 2HG ARG 73 2HG ARG 73 -9.649 -6.139 -3.635 578 1HD ARG 73 1HD ARG 73 -10.888 -7.930 -2.527 579 2HD ARG 73 2HD ARG 73 -11.836 -7.242 -3.848 580 HE ARG 73 HE ARG 73 -11.160 -9.120 -5.261 581 1HH1 ARG 73 2HH2 ARG 73 -10.991 -9.785 -1.765 582 2HH1 ARG 73 1HH2 ARG 73 -10.202 -11.327 -2.027 583 1HH2 ARG 73 2HH1 ARG 73 -10.600 -11.205 -5.558 584 2HH2 ARG 73 1HH1 ARG 73 -10.493 -12.315 -4.202 585 H ALA 74 H ALA 74 -8.490 -8.128 -8.998 586 HA ALA 74 HA ALA 74 -10.948 -9.506 -9.474 587 1HB ALA 74 1HB ALA 74 -10.096 -9.765 -11.759 588 2HB ALA 74 2HB ALA 74 -9.816 -8.127 -11.164 589 3HB ALA 74 3HB ALA 74 -8.472 -9.273 -11.235 590 H ASP 75 H ASP 75 -7.647 -10.820 -10.020 591 HA ASP 75 HA ASP 75 -7.666 -12.635 -8.091 592 1HB ASP 75 1HB ASP 75 -9.402 -13.971 -9.359 593 2HB ASP 75 2HB ASP 75 -8.186 -14.292 -10.573 594 H GLY 76 H GLY 76 -6.270 -14.273 -10.822 595 1HA GLY 76 1HA GLY 76 -4.149 -14.414 -11.582 596 2HA GLY 76 2HA GLY 76 -4.012 -12.662 -11.376 597 H ALA 77 H ALA 77 -4.778 -14.643 -8.627 598 HA ALA 77 HA ALA 77 -3.895 -14.926 -6.619 599 1HB ALA 77 1HB ALA 77 -1.587 -15.456 -6.250 600 2HB ALA 77 2HB ALA 77 -2.145 -16.277 -7.718 601 3HB ALA 77 3HB ALA 77 -1.123 -14.819 -7.832 602 H MET 78 H MET 78 -3.505 -12.048 -8.303 603 HA MET 78 HA MET 78 -2.141 -10.601 -6.185 604 1HB MET 78 1HB MET 78 -3.819 -9.383 -8.402 605 2HB MET 78 2HB MET 78 -2.528 -8.648 -7.439 606 1HG MET 78 1HG MET 78 -1.127 -10.712 -8.459 607 2HG MET 78 2HG MET 78 -2.309 -10.543 -9.746 608 1HE MET 78 1HE MET 78 -2.825 -7.411 -9.911 609 2HE MET 78 2HE MET 78 -1.563 -6.913 -11.059 610 3HE MET 78 3HE MET 78 -2.459 -8.425 -11.325 611 H SER 79 H SER 79 -5.240 -11.808 -6.755 612 HA SER 79 HA SER 79 -6.995 -10.546 -5.003 613 1HB SER 79 1HB SER 79 -7.625 -13.031 -4.514 614 2HB SER 79 2HB SER 79 -7.791 -12.404 -6.147 615 HG SER 79 HG SER 79 -6.559 -14.144 -6.602 616 H ALA 80 H ALA 80 -4.135 -12.608 -4.211 617 HA ALA 80 HA ALA 80 -4.741 -12.601 -1.363 618 1HB ALA 80 1HB ALA 80 -2.654 -13.868 -1.174 619 2HB ALA 80 2HB ALA 80 -3.672 -14.521 -2.468 620 3HB ALA 80 3HB ALA 80 -2.254 -13.519 -2.864 621 H LEU 81 H LEU 81 -3.160 -10.273 -3.426 622 HA LEU 81 HA LEU 81 -0.972 -9.608 -1.752 623 1HB LEU 81 1HB LEU 81 -2.457 -8.080 -3.900 624 2HB LEU 81 2HB LEU 81 -1.238 -7.289 -2.950 625 HG LEU 81 HG LEU 81 -0.706 -9.807 -4.566 626 1HD1 LEU 81 1HD1 LEU 81 -1.233 -7.345 -5.690 627 2HD1 LEU 81 2HD1 LEU 81 0.514 -7.234 -5.448 628 3HD1 LEU 81 3HD1 LEU 81 -0.142 -8.553 -6.393 629 1HD2 LEU 81 1HD2 LEU 81 1.709 -9.120 -4.261 630 2HD2 LEU 81 2HD2 LEU 81 1.182 -7.871 -3.122 631 3HD2 LEU 81 3HD2 LEU 81 0.930 -9.570 -2.745 632 HA PRO 82 HA PRO 82 -3.208 -7.027 1.291 633 1HB PRO 82 1HB PRO 82 -1.053 -6.147 2.706 634 2HB PRO 82 2HB PRO 82 -1.767 -7.779 2.894 635 1HG PRO 82 1HG PRO 82 0.674 -6.982 1.341 636 2HG PRO 82 2HG PRO 82 0.438 -8.417 2.374 637 1HD PRO 82 1HD PRO 82 0.192 -8.453 -0.378 638 2HD PRO 82 2HD PRO 82 -0.678 -9.576 0.705 639 H VAL 83 H VAL 83 -3.830 -5.786 -0.456 640 HA VAL 83 HA VAL 83 -2.566 -3.358 -1.374 641 HB VAL 83 HB VAL 83 -5.157 -2.870 -1.724 642 1HG1 VAL 83 1HG1 VAL 83 -3.621 -3.207 -3.543 643 2HG1 VAL 83 2HG1 VAL 83 -3.532 -4.952 -3.226 644 3HG1 VAL 83 3HG1 VAL 83 -5.031 -4.229 -3.853 645 1HG2 VAL 83 1HG2 VAL 83 -5.836 -4.897 -0.263 646 2HG2 VAL 83 2HG2 VAL 83 -6.601 -4.823 -1.818 647 3HG2 VAL 83 3HG2 VAL 83 -5.273 -5.914 -1.613 648 H LEU 84 H LEU 84 -1.898 -1.926 0.148 649 HA LEU 84 HA LEU 84 -3.716 -1.308 2.435 650 1HB LEU 84 1HB LEU 84 -1.705 -2.406 3.207 651 2HB LEU 84 2HB LEU 84 -0.692 -1.290 2.296 652 HG LEU 84 HG LEU 84 -1.309 0.575 3.713 653 1HD1 LEU 84 1HD1 LEU 84 -3.279 -1.330 5.036 654 2HD1 LEU 84 2HD1 LEU 84 -2.785 0.242 5.724 655 3HD1 LEU 84 3HD1 LEU 84 -3.640 0.197 4.191 656 1HD2 LEU 84 1HD2 LEU 84 0.474 -0.945 4.505 657 2HD2 LEU 84 2HD2 LEU 84 -0.382 -0.180 5.851 658 3HD2 LEU 84 3HD2 LEU 84 -0.724 -1.875 5.427 659 H MET 85 H MET 85 -4.735 0.543 2.082 660 HA MET 85 HA MET 85 -3.597 2.413 0.095 661 1HB MET 85 1HB MET 85 -6.267 2.696 1.492 662 2HB MET 85 2HB MET 85 -5.688 3.438 -0.001 663 1HG MET 85 1HG MET 85 -6.461 0.554 0.459 664 2HG MET 85 2HG MET 85 -7.299 1.733 -0.538 665 1HE MET 85 1HE MET 85 -4.906 2.023 -3.673 666 2HE MET 85 2HE MET 85 -6.409 2.591 -2.925 667 3HE MET 85 3HE MET 85 -4.833 3.066 -2.239 668 H VAL 86 H VAL 86 -2.592 4.265 0.706 669 HA VAL 86 HA VAL 86 -2.825 5.286 3.480 670 HB VAL 86 HB VAL 86 -0.264 4.804 1.877 671 1HG1 VAL 86 1HG1 VAL 86 -0.085 6.806 3.247 672 2HG1 VAL 86 2HG1 VAL 86 -0.721 5.944 4.673 673 3HG1 VAL 86 3HG1 VAL 86 0.863 5.518 3.967 674 1HG2 VAL 86 1HG2 VAL 86 0.330 3.219 3.694 675 2HG2 VAL 86 2HG2 VAL 86 -1.310 3.382 4.366 676 3HG2 VAL 86 3HG2 VAL 86 -1.059 2.688 2.756 677 H THR 87 H THR 87 -4.038 7.097 2.949 678 HA THR 87 HA THR 87 -3.037 8.768 0.700 679 HB THR 87 HB THR 87 -4.821 7.246 -0.077 680 HG1 THR 87 1HG THR 87 -4.524 9.203 -1.008 681 1HG2 THR 87 1HG2 THR 87 -6.189 6.983 1.927 682 2HG2 THR 87 2HG2 THR 87 -6.629 8.706 1.907 683 3HG2 THR 87 3HG2 THR 87 -7.160 7.637 0.600 684 H ALA 88 H ALA 88 -4.411 10.866 0.646 685 HA ALA 88 HA ALA 88 -4.140 12.123 3.323 686 1HB ALA 88 1HB ALA 88 -4.368 14.228 2.064 687 2HB ALA 88 2HB ALA 88 -3.057 13.234 1.405 688 3HB ALA 88 3HB ALA 88 -4.624 13.330 0.561 689 H GLU 89 H GLU 89 -6.625 10.988 1.084 690 HA GLU 89 HA GLU 89 -8.634 12.798 2.074 691 1HB GLU 89 1HB GLU 89 -8.693 10.473 0.125 692 2HB GLU 89 2HB GLU 89 -10.097 11.474 0.485 693 1HG GLU 89 1HG GLU 89 -7.457 12.579 -0.586 694 2HG GLU 89 2HG GLU 89 -8.813 12.096 -1.592 695 H ALA 90 H ALA 90 -9.551 12.539 3.955 696 HA ALA 90 HA ALA 90 -10.412 9.996 5.149 697 1HB ALA 90 1HB ALA 90 -9.923 12.185 6.428 698 2HB ALA 90 2HB ALA 90 -11.382 12.845 5.675 699 3HB ALA 90 3HB ALA 90 -11.500 11.448 6.757 700 H LYS 91 H LYS 91 -11.282 11.164 2.272 701 HA LYS 91 HA LYS 91 -13.964 11.934 2.399 702 1HB LYS 91 1HB LYS 91 -12.477 12.212 0.407 703 2HB LYS 91 2HB LYS 91 -12.522 10.473 0.143 704 1HG LYS 91 1HG LYS 91 -14.054 11.583 -1.370 705 2HG LYS 91 2HG LYS 91 -14.967 10.579 -0.246 706 1HD LYS 91 1HD LYS 91 -15.549 12.564 1.108 707 2HD LYS 91 2HD LYS 91 -14.571 13.608 0.072 708 1HE LYS 91 1HE LYS 91 -16.696 11.933 -1.232 709 2HE LYS 91 2HE LYS 91 -17.260 13.209 -0.155 710 1HZ LYS 91 1HZ LYS 91 -17.061 13.967 -2.446 711 2HZ LYS 91 2HZ LYS 91 -16.085 14.823 -1.432 712 3HZ LYS 91 3HZ LYS 91 -15.452 13.679 -2.431 713 H LYS 92 H LYS 92 -15.685 10.820 3.159 714 HA LYS 92 HA LYS 92 -15.434 8.137 3.936 715 1HB LYS 92 1HB LYS 92 -17.842 9.942 3.584 716 2HB LYS 92 2HB LYS 92 -18.000 8.275 4.159 717 1HG LYS 92 1HG LYS 92 -16.664 8.667 6.089 718 2HG LYS 92 2HG LYS 92 -16.006 10.177 5.451 719 1HD LYS 92 1HD LYS 92 -18.181 11.269 5.609 720 2HD LYS 92 2HD LYS 92 -18.923 9.768 6.228 721 1HE LYS 92 1HE LYS 92 -17.549 9.798 8.200 722 2HE LYS 92 2HE LYS 92 -16.506 11.076 7.545 723 1HZ LYS 92 1HZ LYS 92 -18.221 12.636 7.766 724 2HZ LYS 92 2HZ LYS 92 -19.369 11.479 8.095 725 3HZ LYS 92 3HZ LYS 92 -18.206 11.806 9.191 726 H GLU 93 H GLU 93 -16.818 9.461 0.909 727 HA GLU 93 HA GLU 93 -17.797 7.048 -0.154 728 1HB GLU 93 1HB GLU 93 -17.678 9.586 -1.082 729 2HB GLU 93 2HB GLU 93 -16.339 8.929 -2.000 730 1HG GLU 93 1HG GLU 93 -19.274 8.230 -2.073 731 2HG GLU 93 2HG GLU 93 -18.251 8.767 -3.388 732 H ASN 94 H ASN 94 -14.439 8.369 -0.177 733 HA ASN 94 HA ASN 94 -13.336 6.239 -1.742 734 1HB ASN 94 1HB ASN 94 -11.977 8.067 0.289 735 2HB ASN 94 2HB ASN 94 -11.158 6.833 -0.633 736 1HD2 ASN 94 1HD2 ASN 94 -13.401 8.025 -2.872 737 2HD2 ASN 94 2HD2 ASN 94 -12.289 9.104 -3.638 738 H ILE 95 H ILE 95 -13.864 6.716 1.766 739 HA ILE 95 HA ILE 95 -12.496 4.322 2.575 740 HB ILE 95 HB ILE 95 -14.528 6.129 3.923 741 1HG1 ILE 95 1HG1 ILE 95 -11.689 5.378 4.782 742 2HG1 ILE 95 2HG1 ILE 95 -11.965 6.588 3.532 743 1HG2 ILE 95 1HG2 ILE 95 -14.115 4.752 6.019 744 2HG2 ILE 95 2HG2 ILE 95 -15.065 3.905 4.798 745 3HG2 ILE 95 3HG2 ILE 95 -13.350 3.515 4.986 746 1HD1 ILE 95 1HD1 ILE 95 -13.297 7.971 5.048 747 2HD1 ILE 95 2HD1 ILE 95 -12.970 6.830 6.376 748 3HD1 ILE 95 3HD1 ILE 95 -11.642 7.730 5.608 749 H ILE 96 H ILE 96 -16.155 4.872 1.956 750 HA ILE 96 HA ILE 96 -16.834 2.205 2.335 751 HB ILE 96 HB ILE 96 -17.793 4.515 0.593 752 1HG1 ILE 96 1HG1 ILE 96 -19.421 3.234 2.805 753 2HG1 ILE 96 2HG1 ILE 96 -17.941 4.040 3.324 754 1HG2 ILE 96 1HG2 ILE 96 -18.571 2.533 -0.611 755 2HG2 ILE 96 2HG2 ILE 96 -19.191 1.812 0.890 756 3HG2 ILE 96 3HG2 ILE 96 -19.915 3.297 0.217 757 1HD1 ILE 96 1HD1 ILE 96 -19.631 5.655 3.368 758 2HD1 ILE 96 2HD1 ILE 96 -18.571 6.051 2.017 759 3HD1 ILE 96 3HD1 ILE 96 -20.116 5.292 1.670 760 H ALA 97 H ALA 97 -15.784 3.901 -0.703 761 HA ALA 97 HA ALA 97 -16.054 1.706 -2.415 762 1HB ALA 97 1HB ALA 97 -15.763 3.968 -3.225 763 2HB ALA 97 2HB ALA 97 -14.178 4.095 -2.490 764 3HB ALA 97 3HB ALA 97 -14.429 2.973 -3.851 765 H ALA 98 H ALA 98 -13.206 2.661 -0.428 766 HA ALA 98 HA ALA 98 -11.464 0.613 -1.320 767 1HB ALA 98 1HB ALA 98 -10.198 1.067 0.713 768 2HB ALA 98 2HB ALA 98 -10.881 2.624 0.201 769 3HB ALA 98 3HB ALA 98 -11.626 1.744 1.521 770 H ALA 99 H ALA 99 -13.741 0.731 1.470 771 HA ALA 99 HA ALA 99 -13.144 -1.884 2.427 772 1HB ALA 99 1HB ALA 99 -15.640 -0.126 2.762 773 2HB ALA 99 2HB ALA 99 -15.259 -1.552 3.744 774 3HB ALA 99 3HB ALA 99 -14.213 -0.118 3.808 775 H GLN 100 H GLN 100 -15.613 -0.698 0.173 776 HA GLN 100 HA GLN 100 -17.057 -3.072 -0.395 777 1HB GLN 100 1HB GLN 100 -16.384 -0.579 -2.014 778 2HB GLN 100 2HB GLN 100 -17.435 -1.829 -2.628 779 1HG GLN 100 1HG GLN 100 -18.083 -0.581 0.051 780 2HG GLN 100 2HG GLN 100 -18.368 0.325 -1.443 781 1HE2 GLN 100 1HE2 GLN 100 -20.675 0.314 -1.271 782 2HE2 GLN 100 2HE2 GLN 100 -21.560 -1.190 -1.441 783 H ALA 101 H ALA 101 -14.200 -1.582 -2.123 784 HA ALA 101 HA ALA 101 -13.728 -3.782 -3.838 785 1HB ALA 101 1HB ALA 101 -11.819 -1.650 -2.794 786 2HB ALA 101 2HB ALA 101 -11.681 -2.589 -4.297 787 3HB ALA 101 3HB ALA 101 -12.957 -1.378 -4.113 788 H GLY 102 H GLY 102 -13.279 -3.619 -0.449 789 1HA GLY 102 1HA GLY 102 -12.507 -5.243 0.938 790 2HA GLY 102 2HA GLY 102 -12.027 -6.202 -0.474 791 H ALA 103 H ALA 103 -10.837 -2.887 0.187 792 HA ALA 103 HA ALA 103 -8.113 -3.629 -0.175 793 1HB ALA 103 1HB ALA 103 -7.557 -1.450 0.366 794 2HB ALA 103 2HB ALA 103 -9.253 -1.221 -0.106 795 3HB ALA 103 3HB ALA 103 -8.834 -1.291 1.602 796 H SER 104 H SER 104 -6.418 -4.050 1.370 797 HA SER 104 HA SER 104 -7.408 -5.547 3.647 798 1HB SER 104 1HB SER 104 -5.199 -6.297 3.918 799 2HB SER 104 2HB SER 104 -5.525 -6.286 2.191 800 HG SER 104 HG SER 104 -4.411 -4.172 2.185 801 H GLY 105 H GLY 105 -6.556 -2.228 3.196 802 1HA GLY 105 1HA GLY 105 -7.321 -1.598 5.803 803 2HA GLY 105 2HA GLY 105 -5.542 -1.551 5.743 804 H TYR 106 H TYR 106 -6.828 0.706 6.311 805 HA TYR 106 HA TYR 106 -6.430 2.443 3.957 806 1HB TYR 106 1HB TYR 106 -8.928 1.827 4.530 807 2HB TYR 106 2HB TYR 106 -8.713 2.851 5.930 808 HD1 TYR 106 1HD TYR 106 -10.015 2.762 2.754 809 HD2 TYR 106 2HD TYR 106 -7.521 5.326 5.160 810 HE1 TYR 106 1HE TYR 106 -10.646 4.709 1.345 811 HE2 TYR 106 2HE TYR 106 -8.056 7.211 3.675 812 HH TYR 106 HH TYR 106 -9.511 8.045 2.061 813 H VAL 107 H VAL 107 -5.158 4.171 4.615 814 HA VAL 107 HA VAL 107 -5.066 5.050 7.466 815 HB VAL 107 HB VAL 107 -2.727 4.682 5.571 816 1HG1 VAL 107 1HG1 VAL 107 -2.517 6.733 6.870 817 2HG1 VAL 107 2HG1 VAL 107 -2.903 5.870 8.374 818 3HG1 VAL 107 3HG1 VAL 107 -1.398 5.518 7.489 819 1HG2 VAL 107 1HG2 VAL 107 -1.867 3.176 7.374 820 2HG2 VAL 107 2HG2 VAL 107 -3.432 3.331 8.211 821 3HG2 VAL 107 3HG2 VAL 107 -3.329 2.547 6.616 822 H VAL 108 H VAL 108 -5.634 7.185 7.546 823 HA VAL 108 HA VAL 108 -5.495 8.806 5.067 824 HB VAL 108 HB VAL 108 -6.907 9.472 7.683 825 1HG1 VAL 108 1HG1 VAL 108 -8.009 11.203 6.297 826 2HG1 VAL 108 2HG1 VAL 108 -6.277 11.441 6.264 827 3HG1 VAL 108 3HG1 VAL 108 -7.073 10.688 4.877 828 1HG2 VAL 108 1HG2 VAL 108 -9.019 8.975 6.665 829 2HG2 VAL 108 2HG2 VAL 108 -8.287 8.673 5.101 830 3HG2 VAL 108 3HG2 VAL 108 -8.040 7.528 6.439 831 H LYS 109 H LYS 109 -4.119 10.680 5.262 832 HA LYS 109 HA LYS 109 -2.053 10.728 7.250 833 1HB LYS 109 1HB LYS 109 -1.295 12.701 6.265 834 2HB LYS 109 2HB LYS 109 -2.024 11.807 4.956 835 1HG LYS 109 1HG LYS 109 -2.907 13.825 4.478 836 2HG LYS 109 2HG LYS 109 -4.181 13.317 5.585 837 1HD LYS 109 1HD LYS 109 -3.038 14.615 7.425 838 2HD LYS 109 2HD LYS 109 -1.730 14.998 6.282 839 1HE LYS 109 1HE LYS 109 -3.529 16.010 4.794 840 2HE LYS 109 2HE LYS 109 -4.635 15.912 6.158 841 1HZ LYS 109 1HZ LYS 109 -2.025 17.252 6.420 842 2HZ LYS 109 2HZ LYS 109 -3.327 18.053 5.765 843 3HZ LYS 109 3HZ LYS 109 -3.380 17.485 7.302 844 HA PRO 110 HA PRO 110 -0.780 12.121 8.532 845 1HB PRO 110 1HB PRO 110 -0.159 12.609 11.110 846 2HB PRO 110 2HB PRO 110 -0.649 13.932 10.008 847 1HG PRO 110 1HG PRO 110 -2.366 12.463 12.012 848 2HG PRO 110 2HG PRO 110 -2.202 14.233 11.784 849 1HD PRO 110 1HD PRO 110 -4.220 12.738 10.640 850 2HD PRO 110 2HD PRO 110 -3.557 14.208 9.875 851 H PHE 111 H PHE 111 0.649 10.577 9.964 852 HA PHE 111 HA PHE 111 -0.466 8.333 11.326 853 1HB PHE 111 1HB PHE 111 -0.242 6.651 9.518 854 2HB PHE 111 2HB PHE 111 -1.488 7.786 9.137 855 HD1 PHE 111 1HD PHE 111 2.075 6.846 8.419 856 HD2 PHE 111 2HD PHE 111 -1.477 8.820 7.029 857 HE1 PHE 111 1HE PHE 111 3.080 7.105 6.185 858 HE2 PHE 111 2HE PHE 111 -0.441 9.147 4.808 859 HZ PHE 111 HZ PHE 111 1.861 8.294 4.375 860 H THR 112 H THR 112 1.221 6.712 11.663 861 HA THR 112 HA THR 112 4.019 7.561 11.309 862 HB THR 112 HB THR 112 4.016 7.142 13.914 863 HG1 THR 112 1HG THR 112 1.860 8.084 14.653 864 1HG2 THR 112 1HG2 THR 112 4.471 9.314 12.758 865 2HG2 THR 112 2HG2 THR 112 2.735 9.678 12.921 866 3HG2 THR 112 3HG2 THR 112 3.741 9.452 14.365 867 H ALA 113 H ALA 113 5.370 5.785 12.694 868 HA ALA 113 HA ALA 113 4.785 3.214 11.545 869 1HB ALA 113 1HB ALA 113 7.107 3.853 11.976 870 2HB ALA 113 2HB ALA 113 6.775 3.993 13.713 871 3HB ALA 113 3HB ALA 113 6.667 2.426 12.916 872 H ALA 114 H ALA 114 4.269 4.840 14.643 873 HA ALA 114 HA ALA 114 3.007 2.830 16.115 874 1HB ALA 114 1HB ALA 114 3.708 5.083 16.932 875 2HB ALA 114 2HB ALA 114 2.332 5.801 16.054 876 3HB ALA 114 3HB ALA 114 2.034 4.675 17.384 877 H THR 115 H THR 115 1.656 4.119 13.144 878 HA THR 115 HA THR 115 -0.774 2.693 14.029 879 HB THR 115 HB THR 115 -1.117 5.139 13.474 880 HG1 THR 115 1HG THR 115 -2.838 3.580 13.516 881 1HG2 THR 115 1HG2 THR 115 -0.952 4.147 10.597 882 2HG2 THR 115 2HG2 THR 115 -1.520 5.730 11.148 883 3HG2 THR 115 3HG2 THR 115 0.176 5.271 11.376 884 H LEU 116 H LEU 116 1.709 3.162 11.516 885 HA LEU 116 HA LEU 116 0.954 1.397 9.545 886 1HB LEU 116 1HB LEU 116 3.056 2.912 9.818 887 2HB LEU 116 2HB LEU 116 3.762 1.549 10.669 888 HG LEU 116 HG LEU 116 4.659 1.509 8.547 889 1HD1 LEU 116 1HD1 LEU 116 3.882 -0.704 9.330 890 2HD1 LEU 116 2HD1 LEU 116 2.401 -0.500 8.345 891 3HD1 LEU 116 3HD1 LEU 116 3.981 -0.578 7.568 892 1HD2 LEU 116 1HD2 LEU 116 3.141 3.015 7.364 893 2HD2 LEU 116 2HD2 LEU 116 3.452 1.549 6.430 894 3HD2 LEU 116 3HD2 LEU 116 1.905 1.740 7.281 895 H GLU 117 H GLU 117 2.836 0.576 12.528 896 HA GLU 117 HA GLU 117 2.915 -2.201 12.112 897 1HB GLU 117 1HB GLU 117 3.737 -2.333 14.349 898 2HB GLU 117 2HB GLU 117 4.376 -0.911 13.571 899 1HG GLU 117 1HG GLU 117 3.891 0.130 15.490 900 2HG GLU 117 2HG GLU 117 2.279 0.283 14.807 901 H GLU 118 H GLU 118 0.336 -0.234 13.511 902 HA GLU 118 HA GLU 118 -1.021 -2.516 14.720 903 1HB GLU 118 1HB GLU 118 -1.255 -0.070 15.432 904 2HB GLU 118 2HB GLU 118 -2.227 0.185 13.977 905 1HG GLU 118 1HG GLU 118 -3.736 -1.689 14.754 906 2HG GLU 118 2HG GLU 118 -2.811 -1.793 16.225 907 H LYS 119 H LYS 119 -1.205 -0.669 11.656 908 HA LYS 119 HA LYS 119 -3.516 -2.137 10.648 909 1HB LYS 119 1HB LYS 119 -1.459 -0.486 9.143 910 2HB LYS 119 2HB LYS 119 -3.036 -0.984 8.523 911 1HG LYS 119 1HG LYS 119 -2.726 0.804 10.974 912 2HG LYS 119 2HG LYS 119 -2.756 1.445 9.353 913 1HD LYS 119 1HD LYS 119 -5.022 1.121 9.123 914 2HD LYS 119 2HD LYS 119 -5.010 -0.362 10.073 915 1HE LYS 119 1HE LYS 119 -6.249 1.293 11.297 916 2HE LYS 119 2HE LYS 119 -4.764 0.926 12.172 917 1HZ LYS 119 1HZ LYS 119 -5.340 3.254 12.110 918 2HZ LYS 119 2HZ LYS 119 -3.855 3.026 11.465 919 3HZ LYS 119 3HZ LYS 119 -5.203 3.317 10.507 920 H LEU 120 H LEU 120 0.011 -2.480 10.398 921 HA LEU 120 HA LEU 120 0.137 -4.776 8.706 922 1HB LEU 120 1HB LEU 120 1.862 -4.112 11.133 923 2HB LEU 120 2HB LEU 120 2.128 -5.428 10.022 924 HG LEU 120 HG LEU 120 2.375 -2.493 9.424 925 1HD1 LEU 120 1HD1 LEU 120 4.398 -4.751 9.349 926 2HD1 LEU 120 2HD1 LEU 120 4.726 -3.038 9.030 927 3HD1 LEU 120 3HD1 LEU 120 4.247 -3.559 10.656 928 1HD2 LEU 120 1HD2 LEU 120 2.520 -4.850 7.544 929 2HD2 LEU 120 2HD2 LEU 120 1.450 -3.432 7.420 930 3HD2 LEU 120 3HD2 LEU 120 3.188 -3.245 7.154 931 H ASN 121 H ASN 121 -0.031 -4.610 12.342 932 HA ASN 121 HA ASN 121 -0.382 -7.345 12.662 933 1HB ASN 121 1HB ASN 121 0.075 -5.690 14.485 934 2HB ASN 121 2HB ASN 121 -1.650 -5.282 14.484 935 1HD2 ASN 121 1HD2 ASN 121 -3.137 -6.819 15.413 936 2HD2 ASN 121 2HD2 ASN 121 -2.629 -8.335 16.090 937 H LYS 122 H LYS 122 -2.881 -4.919 11.980 938 HA LYS 122 HA LYS 122 -5.142 -6.640 12.160 939 1HB LYS 122 1HB LYS 122 -4.638 -4.172 10.466 940 2HB LYS 122 2HB LYS 122 -6.183 -4.987 10.498 941 1HG LYS 122 1HG LYS 122 -6.469 -4.563 12.865 942 2HG LYS 122 2HG LYS 122 -4.849 -3.929 13.003 943 1HD LYS 122 1HD LYS 122 -5.851 -2.317 11.005 944 2HD LYS 122 2HD LYS 122 -7.315 -2.628 11.923 945 1HE LYS 122 1HE LYS 122 -4.674 -1.678 13.126 946 2HE LYS 122 2HE LYS 122 -5.935 -0.568 12.598 947 1HZ LYS 122 1HZ LYS 122 -6.113 -0.919 14.928 948 2HZ LYS 122 2HZ LYS 122 -7.437 -1.563 14.201 949 3HZ LYS 122 3HZ LYS 122 -6.246 -2.550 14.756 950 H ILE 123 H ILE 123 -3.007 -6.039 9.224 951 HA ILE 123 HA ILE 123 -4.589 -8.106 7.812 952 HB ILE 123 HB ILE 123 -2.875 -7.974 6.051 953 1HG1 ILE 123 1HG1 ILE 123 -1.622 -5.765 7.718 954 2HG1 ILE 123 2HG1 ILE 123 -0.886 -7.338 7.353 955 1HG2 ILE 123 1HG2 ILE 123 -4.939 -6.600 6.157 956 2HG2 ILE 123 2HG2 ILE 123 -3.989 -5.289 6.919 957 3HG2 ILE 123 3HG2 ILE 123 -3.624 -5.828 5.272 958 1HD1 ILE 123 1HD1 ILE 123 -1.569 -5.108 5.398 959 2HD1 ILE 123 2HD1 ILE 123 0.020 -5.742 5.850 960 3HD1 ILE 123 3HD1 ILE 123 -1.100 -6.760 4.919 961 H PHE 124 H PHE 124 -1.670 -8.160 9.746 962 HA PHE 124 HA PHE 124 -0.698 -10.719 9.053 963 1HB PHE 124 1HB PHE 124 -0.737 -9.100 11.576 964 2HB PHE 124 2HB PHE 124 0.114 -10.598 11.475 965 HD1 PHE 124 1HD PHE 124 0.674 -9.251 8.257 966 HD2 PHE 124 2HD PHE 124 1.752 -8.539 12.362 967 HE1 PHE 124 1HE PHE 124 2.682 -8.117 7.510 968 HE2 PHE 124 2HE PHE 124 3.810 -7.380 11.594 969 HZ PHE 124 HZ PHE 124 4.291 -7.172 9.165 970 H GLU 125 H GLU 125 -2.931 -9.779 11.753 971 HA GLU 125 HA GLU 125 -3.596 -12.510 12.304 972 1HB GLU 125 1HB GLU 125 -5.107 -9.932 12.837 973 2HB GLU 125 2HB GLU 125 -5.579 -11.533 13.440 974 1HG GLU 125 1HG GLU 125 -3.533 -11.713 14.751 975 2HG GLU 125 2HG GLU 125 -2.956 -10.159 14.129 976 H LYS 126 H LYS 126 -5.258 -9.999 10.332 977 HA LYS 126 HA LYS 126 -7.586 -11.687 10.151 978 1HB LYS 126 1HB LYS 126 -7.543 -9.175 10.172 979 2HB LYS 126 2HB LYS 126 -7.047 -9.199 8.472 980 1HG LYS 126 1HG LYS 126 -9.613 -10.354 9.645 981 2HG LYS 126 2HG LYS 126 -9.470 -8.769 8.904 982 1HD LYS 126 1HD LYS 126 -8.473 -10.782 7.061 983 2HD LYS 126 2HD LYS 126 -10.035 -11.274 7.666 984 1HE LYS 126 1HE LYS 126 -9.319 -8.663 6.247 985 2HE LYS 126 2HE LYS 126 -10.167 -10.047 5.549 986 1HZ LYS 126 1HZ LYS 126 -11.174 -8.037 7.401 987 2HZ LYS 126 2HZ LYS 126 -11.904 -8.723 6.096 988 3HZ LYS 126 3HZ LYS 126 -11.806 -9.559 7.496 989 H LEU 127 H LEU 127 -5.466 -10.483 7.434 990 HA LEU 127 HA LEU 127 -6.378 -12.454 5.598 991 1HB LEU 127 1HB LEU 127 -3.639 -11.208 5.616 992 2HB LEU 127 2HB LEU 127 -4.548 -11.797 4.243 993 HG LEU 127 HG LEU 127 -4.914 -9.186 5.783 994 1HD1 LEU 127 1HD1 LEU 127 -3.180 -9.195 4.091 995 2HD1 LEU 127 2HD1 LEU 127 -4.262 -9.926 2.907 996 3HD1 LEU 127 3HD1 LEU 127 -4.553 -8.277 3.465 997 1HD2 LEU 127 1HD2 LEU 127 -6.784 -10.383 3.714 998 2HD2 LEU 127 2HD2 LEU 127 -7.156 -10.028 5.411 999 3HD2 LEU 127 3HD2 LEU 127 -6.818 -8.696 4.310 1000 H GLY 128 H GLY 128 -4.015 -12.551 8.233 1001 1HA GLY 128 1HA GLY 128 -2.885 -14.443 9.049 1002 2HA GLY 128 2HA GLY 128 -3.269 -15.332 7.576 1003 H MET 129 H MET 129 -2.001 -11.911 7.551 1004 HA MET 129 HA MET 129 0.164 -12.884 5.783 1005 1HB MET 129 2HB MET 129 -0.630 -10.158 6.821 1006 2HB MET 129 3HB MET 129 0.918 -10.440 6.019 1007 1HG MET 129 2HG MET 129 -1.824 -10.907 4.836 1008 2HG MET 129 3HG MET 129 -0.790 -9.542 4.514 1009 1HE MET 129 1HE MET 129 -1.054 -13.418 2.289 1010 2HE MET 129 2HE MET 129 -1.153 -13.516 4.063 1011 3HE MET 129 3HE MET 129 -2.278 -12.477 3.158 Start of MODEL 19 1 1H MET 1 H MET 1 21.491 -17.191 -1.858 2 2H MET 1 2HN MET 1 22.013 -16.096 -2.984 3 3H MET 1 3HN MET 1 22.066 -15.719 -1.390 4 HA MET 1 HA MET 1 20.295 -14.591 -2.395 5 1HB MET 1 2HB MET 1 19.941 -16.788 -3.966 6 2HB MET 1 3HB MET 1 18.677 -17.063 -2.769 7 1HG MET 1 2HG MET 1 19.099 -14.600 -4.503 8 2HG MET 1 3HG MET 1 17.799 -15.782 -4.649 9 1HE MET 1 1HE MET 1 16.054 -12.392 -3.538 10 2HE MET 1 2HE MET 1 17.535 -12.516 -4.513 11 3HE MET 1 3HE MET 1 16.173 -13.623 -4.820 12 H ALA 2 H ALA 2 19.446 -13.745 -0.622 13 HA ALA 2 HA ALA 2 19.681 -15.097 1.875 14 1HB ALA 2 1HB ALA 2 20.019 -12.693 1.677 15 2HB ALA 2 2HB ALA 2 18.340 -12.453 1.148 16 3HB ALA 2 3HB ALA 2 18.681 -13.017 2.797 17 H ASP 3 H ASP 3 16.703 -13.748 0.370 18 HA ASP 3 HA ASP 3 14.996 -15.710 1.794 19 1HB ASP 3 1HB ASP 3 14.874 -12.654 1.990 20 2HB ASP 3 2HB ASP 3 13.628 -13.747 2.586 21 H LYS 4 H LYS 4 12.519 -14.704 1.121 22 HA LYS 4 HA LYS 4 12.303 -14.580 -1.740 23 1HB LYS 4 1HB LYS 4 10.566 -13.860 0.639 24 2HB LYS 4 2HB LYS 4 10.101 -13.249 -0.948 25 1HG LYS 4 1HG LYS 4 10.690 -16.186 -0.450 26 2HG LYS 4 2HG LYS 4 9.077 -15.487 -0.239 27 1HD LYS 4 1HD LYS 4 8.975 -14.755 -2.511 28 2HD LYS 4 2HD LYS 4 10.629 -15.220 -2.853 29 1HE LYS 4 1HE LYS 4 8.466 -17.201 -2.034 30 2HE LYS 4 2HE LYS 4 8.906 -16.829 -3.706 31 1HZ LYS 4 1HZ LYS 4 10.704 -18.036 -1.707 32 2HZ LYS 4 2HZ LYS 4 10.048 -18.752 -3.028 33 3HZ LYS 4 3HZ LYS 4 11.154 -17.561 -3.222 34 H GLU 5 H GLU 5 12.950 -12.244 0.792 35 HA GLU 5 HA GLU 5 13.461 -10.075 0.844 36 1HB GLU 5 1HB GLU 5 14.517 -10.408 -1.996 37 2HB GLU 5 2HB GLU 5 14.788 -9.042 -0.907 38 1HG GLU 5 1HG GLU 5 15.793 -10.740 0.744 39 2HG GLU 5 2HG GLU 5 15.799 -11.897 -0.587 40 H LEU 6 H LEU 6 10.954 -10.780 0.564 41 HA LEU 6 HA LEU 6 9.315 -10.080 -1.493 42 1HB LEU 6 1HB LEU 6 8.512 -11.092 0.479 43 2HB LEU 6 2HB LEU 6 8.927 -9.706 1.489 44 HG LEU 6 HG LEU 6 6.969 -9.209 -0.739 45 1HD1 LEU 6 1HD1 LEU 6 5.162 -9.991 1.031 46 2HD1 LEU 6 2HD1 LEU 6 5.919 -11.165 -0.070 47 3HD1 LEU 6 3HD1 LEU 6 6.454 -11.022 1.614 48 1HD2 LEU 6 1HD2 LEU 6 5.891 -7.766 0.932 49 2HD2 LEU 6 2HD2 LEU 6 6.981 -8.367 2.199 50 3HD2 LEU 6 3HD2 LEU 6 7.603 -7.375 0.870 51 H LYS 7 H LYS 7 8.743 -8.313 -2.532 52 HA LYS 7 HA LYS 7 10.004 -5.782 -1.684 53 1HB LYS 7 1HB LYS 7 9.520 -6.814 -4.200 54 2HB LYS 7 2HB LYS 7 8.072 -5.853 -3.997 55 1HG LYS 7 1HG LYS 7 9.442 -4.197 -4.863 56 2HG LYS 7 2HG LYS 7 9.803 -3.979 -3.152 57 1HD LYS 7 1HD LYS 7 11.926 -4.080 -4.233 58 2HD LYS 7 2HD LYS 7 11.705 -5.668 -3.476 59 1HE LYS 7 1HE LYS 7 10.709 -6.416 -5.775 60 2HE LYS 7 2HE LYS 7 11.361 -4.898 -6.400 61 1HZ LYS 7 1HZ LYS 7 12.850 -7.178 -5.273 62 2HZ LYS 7 2HZ LYS 7 12.984 -6.494 -6.774 63 3HZ LYS 7 3HZ LYS 7 13.542 -5.697 -5.474 64 H PHE 8 H PHE 8 8.958 -4.186 -0.709 65 HA PHE 8 HA PHE 8 5.998 -4.150 -0.451 66 1HB PHE 8 1HB PHE 8 8.335 -2.713 0.842 67 2HB PHE 8 2HB PHE 8 6.805 -1.861 0.660 68 HD1 PHE 8 1HD PHE 8 5.134 -2.113 2.222 69 HD2 PHE 8 2HD PHE 8 8.180 -5.143 1.961 70 HE1 PHE 8 1HE PHE 8 4.119 -3.286 4.159 71 HE2 PHE 8 2HE PHE 8 7.137 -6.337 3.870 72 HZ PHE 8 HZ PHE 8 5.110 -5.416 4.967 73 H LEU 9 H LEU 9 4.872 -2.743 -1.827 74 HA LEU 9 HA LEU 9 6.518 -1.022 -3.594 75 1HB LEU 9 1HB LEU 9 5.179 -2.847 -4.749 76 2HB LEU 9 2HB LEU 9 3.722 -2.101 -4.082 77 HG LEU 9 HG LEU 9 4.436 0.073 -5.235 78 1HD1 LEU 9 1HD1 LEU 9 6.368 -1.817 -6.650 79 2HD1 LEU 9 2HD1 LEU 9 6.016 -0.153 -7.130 80 3HD1 LEU 9 3HD1 LEU 9 6.826 -0.458 -5.612 81 1HD2 LEU 9 1HD2 LEU 9 3.677 -0.618 -7.386 82 2HD2 LEU 9 2HD2 LEU 9 3.961 -2.335 -7.032 83 3HD2 LEU 9 3HD2 LEU 9 2.712 -1.409 -6.153 84 H VAL 10 H VAL 10 6.121 1.139 -3.441 85 HA VAL 10 HA VAL 10 3.851 2.054 -1.745 86 HB VAL 10 HB VAL 10 6.706 3.132 -1.727 87 1HG1 VAL 10 1HG1 VAL 10 4.345 3.677 0.127 88 2HG1 VAL 10 2HG1 VAL 10 5.964 4.413 0.215 89 3HG1 VAL 10 3HG1 VAL 10 4.897 4.760 -1.147 90 1HG2 VAL 10 1HG2 VAL 10 6.798 0.944 -0.647 91 2HG2 VAL 10 2HG2 VAL 10 6.861 2.199 0.592 92 3HG2 VAL 10 3HG2 VAL 10 5.343 1.314 0.310 93 H VAL 11 H VAL 11 2.589 3.378 -2.937 94 HA VAL 11 HA VAL 11 3.832 4.964 -5.129 95 HB VAL 11 HB VAL 11 1.123 3.645 -5.512 96 1HG1 VAL 11 1HG1 VAL 11 3.258 4.630 -7.434 97 2HG1 VAL 11 2HG1 VAL 11 1.697 3.910 -7.873 98 3HG1 VAL 11 3HG1 VAL 11 1.753 5.462 -7.036 99 1HG2 VAL 11 1HG2 VAL 11 3.807 2.347 -6.038 100 2HG2 VAL 11 2HG2 VAL 11 2.439 1.710 -5.104 101 3HG2 VAL 11 3HG2 VAL 11 2.294 1.879 -6.840 102 H ASP 12 H ASP 12 3.482 6.018 -2.574 103 HA ASP 12 HA ASP 12 1.012 7.345 -2.194 104 1HB ASP 12 1HB ASP 12 3.732 8.506 -1.520 105 2HB ASP 12 2HB ASP 12 2.172 8.987 -0.873 106 H ASP 13 H ASP 13 0.451 9.664 -2.699 107 HA ASP 13 HA ASP 13 1.077 10.360 -5.412 108 1HB ASP 13 1HB ASP 13 -0.604 11.840 -5.237 109 2HB ASP 13 2HB ASP 13 -1.006 10.940 -3.794 110 H PHE 14 H PHE 14 2.309 11.352 -2.299 111 HA PHE 14 HA PHE 14 3.831 13.623 -3.413 112 1HB PHE 14 1HB PHE 14 2.328 13.826 -1.374 113 2HB PHE 14 2HB PHE 14 3.355 12.695 -0.563 114 HD1 PHE 14 1HD PHE 14 4.011 15.772 -2.679 115 HD2 PHE 14 2HD PHE 14 4.618 13.790 1.112 116 HE1 PHE 14 1HE PHE 14 5.402 17.658 -1.902 117 HE2 PHE 14 2HE PHE 14 5.960 15.723 1.892 118 HZ PHE 14 HZ PHE 14 6.359 17.651 0.389 119 H SER 15 H SER 15 6.033 13.394 -3.786 120 HA SER 15 HA SER 15 7.214 10.912 -3.725 121 1HB SER 15 1HB SER 15 9.095 13.192 -3.557 122 2HB SER 15 2HB SER 15 8.955 11.910 -4.757 123 HG SER 15 HG SER 15 7.021 13.056 -5.520 124 H THR 16 H THR 16 7.718 13.588 -1.376 125 HA THR 16 HA THR 16 9.427 12.139 0.375 126 HB THR 16 HB THR 16 7.720 14.607 0.549 127 HG1 THR 16 1HG THR 16 10.193 15.108 1.058 128 1HG2 THR 16 1HG2 THR 16 7.684 13.813 2.852 129 2HG2 THR 16 2HG2 THR 16 9.451 13.591 2.830 130 3HG2 THR 16 3HG2 THR 16 8.722 15.217 2.694 131 H MET 17 H MET 17 5.910 11.824 -0.079 132 HA MET 17 HA MET 17 5.494 10.784 2.585 133 1HB MET 17 1HB MET 17 3.682 11.696 1.179 134 2HB MET 17 2HB MET 17 3.797 10.248 0.141 135 1HG MET 17 1HG MET 17 3.485 8.973 2.348 136 2HG MET 17 2HG MET 17 3.081 10.552 3.051 137 1HE MET 17 1HE MET 17 1.369 11.311 -0.048 138 2HE MET 17 2HE MET 17 -0.206 11.220 0.757 139 3HE MET 17 3HE MET 17 1.147 12.056 1.560 140 H ARG 18 H ARG 18 6.723 9.419 -0.573 141 HA ARG 18 HA ARG 18 6.437 6.707 0.376 142 1HB ARG 18 1HB ARG 18 8.242 7.856 -1.804 143 2HB ARG 18 2HB ARG 18 7.980 6.147 -1.438 144 1HG ARG 18 1HG ARG 18 6.385 6.202 -3.018 145 2HG ARG 18 2HG ARG 18 5.399 6.905 -1.755 146 1HD ARG 18 1HD ARG 18 5.042 8.481 -3.377 147 2HD ARG 18 2HD ARG 18 6.455 9.187 -2.625 148 HE ARG 18 HE ARG 18 7.792 8.563 -4.472 149 1HH1 ARG 18 2HH2 ARG 18 4.356 7.746 -5.096 150 2HH1 ARG 18 1HH2 ARG 18 4.743 6.877 -6.561 151 1HH2 ARG 18 2HH1 ARG 18 8.160 7.641 -6.540 152 2HH2 ARG 18 1HH1 ARG 18 6.840 6.828 -7.358 153 H ARG 19 H ARG 19 8.951 9.172 0.556 154 HA ARG 19 HA ARG 19 10.996 7.662 1.834 155 1HB ARG 19 1HB ARG 19 10.290 10.562 1.754 156 2HB ARG 19 2HB ARG 19 11.033 10.046 3.247 157 1HG ARG 19 1HG ARG 19 12.841 10.686 2.072 158 2HG ARG 19 2HG ARG 19 12.851 8.948 1.742 159 1HD ARG 19 1HD ARG 19 11.873 9.324 -0.458 160 2HD ARG 19 2HD ARG 19 11.617 11.042 -0.090 161 HE ARG 19 HE ARG 19 14.354 10.363 0.307 162 1HH1 ARG 19 2HH2 ARG 19 12.069 11.234 -2.259 163 2HH1 ARG 19 1HH2 ARG 19 13.284 11.423 -3.484 164 1HH2 ARG 19 2HH1 ARG 19 15.993 10.851 -1.240 165 2HH2 ARG 19 1HH1 ARG 19 15.569 11.397 -2.828 166 H ILE 20 H ILE 20 8.192 9.413 3.236 167 HA ILE 20 HA ILE 20 8.632 8.652 5.928 168 HB ILE 20 HB ILE 20 6.372 9.886 4.401 169 1HG1 ILE 20 1HG1 ILE 20 6.471 11.476 6.337 170 2HG1 ILE 20 2HG1 ILE 20 7.748 10.499 7.051 171 1HG2 ILE 20 1HG2 ILE 20 5.084 8.247 5.651 172 2HG2 ILE 20 2HG2 ILE 20 5.976 8.636 7.144 173 3HG2 ILE 20 3HG2 ILE 20 4.881 9.819 6.392 174 1HD1 ILE 20 1HD1 ILE 20 7.866 12.054 4.443 175 2HD1 ILE 20 2HD1 ILE 20 8.659 12.483 5.951 176 3HD1 ILE 20 3HD1 ILE 20 9.206 11.052 5.072 177 H VAL 21 H VAL 21 6.182 7.169 3.640 178 HA VAL 21 HA VAL 21 5.435 5.158 5.369 179 HB VAL 21 HB VAL 21 5.554 5.212 2.332 180 1HG1 VAL 21 1HG1 VAL 21 3.841 3.365 2.415 181 2HG1 VAL 21 2HG1 VAL 21 5.453 2.848 2.900 182 3HG1 VAL 21 3HG1 VAL 21 4.210 3.146 4.140 183 1HG2 VAL 21 1HG2 VAL 21 3.218 5.519 4.281 184 2HG2 VAL 21 2HG2 VAL 21 4.031 6.859 3.423 185 3HG2 VAL 21 3HG2 VAL 21 3.150 5.644 2.516 186 H ARG 22 H ARG 22 8.219 4.957 2.996 187 HA ARG 22 HA ARG 22 8.892 2.293 3.786 188 1HB ARG 22 1HB ARG 22 9.906 3.426 1.798 189 2HB ARG 22 2HB ARG 22 10.832 4.465 2.890 190 1HG ARG 22 1HG ARG 22 11.230 1.696 3.723 191 2HG ARG 22 2HG ARG 22 11.405 1.749 2.008 192 1HD ARG 22 1HD ARG 22 12.921 3.621 3.850 193 2HD ARG 22 2HD ARG 22 13.498 2.028 3.345 194 HE ARG 22 HE ARG 22 12.712 4.035 1.301 195 1HH1 ARG 22 2HH2 ARG 22 15.479 2.268 2.786 196 2HH1 ARG 22 1HH2 ARG 22 16.351 2.223 1.294 197 1HH2 ARG 22 2HH1 ARG 22 13.981 3.913 -0.667 198 2HH2 ARG 22 1HH1 ARG 22 15.615 3.342 -0.518 199 H ASN 23 H ASN 23 9.862 5.473 5.196 200 HA ASN 23 HA ASN 23 11.738 4.320 7.028 201 1HB ASN 23 1HB ASN 23 11.574 6.778 6.375 202 2HB ASN 23 2HB ASN 23 10.157 6.895 7.404 203 1HD2 ASN 23 1HD2 ASN 23 10.680 7.622 9.471 204 2HD2 ASN 23 2HD2 ASN 23 12.244 7.417 10.239 205 H LEU 24 H LEU 24 8.261 4.962 7.274 206 HA LEU 24 HA LEU 24 7.965 4.234 10.043 207 1HB LEU 24 1HB LEU 24 5.924 4.032 7.805 208 2HB LEU 24 2HB LEU 24 5.586 3.971 9.532 209 HG LEU 24 HG LEU 24 6.683 6.390 8.048 210 1HD1 LEU 24 1HD1 LEU 24 4.452 7.338 8.389 211 2HD1 LEU 24 2HD1 LEU 24 4.418 5.865 7.411 212 3HD1 LEU 24 3HD1 LEU 24 3.915 5.798 9.109 213 1HD2 LEU 24 1HD2 LEU 24 5.818 6.224 10.911 214 2HD2 LEU 24 2HD2 LEU 24 7.463 6.392 10.378 215 3HD2 LEU 24 3HD2 LEU 24 6.278 7.688 10.052 216 H LEU 25 H LEU 25 7.739 2.393 6.972 217 HA LEU 25 HA LEU 25 7.170 -0.144 8.149 218 1HB LEU 25 1HB LEU 25 8.299 0.832 5.528 219 2HB LEU 25 2HB LEU 25 8.539 -0.863 5.919 220 HG LEU 25 HG LEU 25 5.791 0.380 6.191 221 1HD1 LEU 25 1HD1 LEU 25 6.981 -0.748 3.632 222 2HD1 LEU 25 2HD1 LEU 25 5.274 -0.316 3.908 223 3HD1 LEU 25 3HD1 LEU 25 6.514 0.942 3.934 224 1HD2 LEU 25 1HD2 LEU 25 6.314 -1.931 7.127 225 2HD2 LEU 25 2HD2 LEU 25 5.057 -1.924 5.884 226 3HD2 LEU 25 3HD2 LEU 25 6.711 -2.448 5.483 227 H LYS 26 H LYS 26 10.308 1.426 7.374 228 HA LYS 26 HA LYS 26 11.868 -0.819 8.177 229 1HB LYS 26 1HB LYS 26 12.576 2.153 8.135 230 2HB LYS 26 2HB LYS 26 13.709 0.855 8.475 231 1HG LYS 26 1HG LYS 26 12.548 -0.010 6.072 232 2HG LYS 26 2HG LYS 26 12.579 1.749 5.888 233 1HD LYS 26 1HD LYS 26 14.624 0.923 4.977 234 2HD LYS 26 2HD LYS 26 15.009 1.718 6.519 235 1HE LYS 26 1HE LYS 26 14.884 -0.580 7.607 236 2HE LYS 26 2HE LYS 26 14.708 -1.280 5.996 237 1HZ LYS 26 1HZ LYS 26 16.899 -0.376 5.449 238 2HZ LYS 26 2HZ LYS 26 17.014 0.294 6.979 239 3HZ LYS 26 3HZ LYS 26 16.978 -1.301 6.789 240 H GLU 27 H GLU 27 10.608 1.957 10.114 241 HA GLU 27 HA GLU 27 12.264 1.240 12.303 242 1HB GLU 27 1HB GLU 27 11.252 2.923 13.551 243 2HB GLU 27 2HB GLU 27 11.362 3.518 11.901 244 1HG GLU 27 1HG GLU 27 9.013 3.288 11.564 245 2HG GLU 27 2HG GLU 27 8.813 2.349 13.050 246 H LEU 28 H LEU 28 9.331 -0.374 11.344 247 HA LEU 28 HA LEU 28 9.644 -2.110 13.666 248 1HB LEU 28 1HB LEU 28 7.346 -1.819 14.526 249 2HB LEU 28 2HB LEU 28 8.412 -0.470 14.798 250 HG LEU 28 HG LEU 28 7.303 0.747 12.874 251 1HD1 LEU 28 1HD1 LEU 28 4.985 -0.034 12.285 252 2HD1 LEU 28 2HD1 LEU 28 6.288 -0.969 11.552 253 3HD1 LEU 28 3HD1 LEU 28 5.411 -1.628 12.946 254 1HD2 LEU 28 1HD2 LEU 28 5.262 1.195 14.296 255 2HD2 LEU 28 2HD2 LEU 28 5.729 -0.176 15.304 256 3HD2 LEU 28 3HD2 LEU 28 6.794 1.227 15.175 257 H GLY 29 H GLY 29 9.291 -2.174 10.519 258 1HA GLY 29 1HA GLY 29 7.433 -4.508 10.484 259 2HA GLY 29 2HA GLY 29 7.378 -3.209 9.296 260 H PHE 30 H PHE 30 9.260 -2.943 7.828 261 HA PHE 30 HA PHE 30 10.696 -5.489 7.356 262 1HB PHE 30 1HB PHE 30 8.465 -4.366 5.614 263 2HB PHE 30 2HB PHE 30 9.553 -5.634 5.094 264 HD1 PHE 30 1HD PHE 30 6.516 -4.929 6.915 265 HD2 PHE 30 2HD PHE 30 9.645 -7.853 6.346 266 HE1 PHE 30 1HE PHE 30 5.025 -6.705 7.767 267 HE2 PHE 30 2HE PHE 30 8.162 -9.611 7.263 268 HZ PHE 30 HZ PHE 30 5.857 -9.057 7.969 269 H ASN 31 H ASN 31 11.634 -5.434 5.126 270 HA ASN 31 HA ASN 31 12.960 -2.854 4.438 271 1HB ASN 31 1HB ASN 31 13.961 -5.748 4.473 272 2HB ASN 31 2HB ASN 31 14.800 -4.482 3.610 273 1HD2 ASN 31 1HD2 ASN 31 16.163 -3.179 4.673 274 2HD2 ASN 31 2HD2 ASN 31 16.533 -3.356 6.391 275 H ASN 32 H ASN 32 13.753 -2.948 2.176 276 HA ASN 32 HA ASN 32 13.815 -3.300 0.043 277 1HB ASN 32 1HB ASN 32 13.432 -5.897 0.839 278 2HB ASN 32 2HB ASN 32 12.062 -5.684 -0.240 279 1HD2 ASN 32 1HD2 ASN 32 13.024 -7.163 -1.864 280 2HD2 ASN 32 2HD2 ASN 32 14.356 -6.554 -2.827 281 H VAL 33 H VAL 33 12.899 -1.576 -0.883 282 HA VAL 33 HA VAL 33 9.979 -1.770 -1.384 283 HB VAL 33 HB VAL 33 10.017 0.758 -1.380 284 1HG1 VAL 33 1HG1 VAL 33 10.472 -0.664 1.269 285 2HG1 VAL 33 2HG1 VAL 33 9.617 0.884 1.001 286 3HG1 VAL 33 3HG1 VAL 33 8.954 -0.598 0.345 287 1HG2 VAL 33 1HG2 VAL 33 12.546 0.967 -1.412 288 2HG2 VAL 33 2HG2 VAL 33 11.711 1.949 -0.217 289 3HG2 VAL 33 3HG2 VAL 33 12.550 0.455 0.286 290 H GLU 34 H GLU 34 9.143 -0.890 -3.230 291 HA GLU 34 HA GLU 34 10.993 0.272 -5.231 292 1HB GLU 34 1HB GLU 34 8.827 -1.785 -5.642 293 2HB GLU 34 2HB GLU 34 9.121 -0.584 -6.897 294 1HG GLU 34 1HG GLU 34 11.479 -2.140 -5.794 295 2HG GLU 34 2HG GLU 34 10.354 -2.931 -6.875 296 H GLU 35 H GLU 35 10.155 2.212 -6.065 297 HA GLU 35 HA GLU 35 7.685 3.277 -4.782 298 1HB GLU 35 1HB GLU 35 10.319 4.634 -5.460 299 2HB GLU 35 2HB GLU 35 8.852 5.510 -5.009 300 1HG GLU 35 1HG GLU 35 8.832 4.457 -2.806 301 2HG GLU 35 2HG GLU 35 10.223 3.457 -3.221 302 H ALA 36 H ALA 36 6.191 2.944 -6.411 303 HA ALA 36 HA ALA 36 7.074 3.015 -9.219 304 1HB ALA 36 1HB ALA 36 4.258 2.682 -8.128 305 2HB ALA 36 2HB ALA 36 4.779 2.388 -9.770 306 3HB ALA 36 3HB ALA 36 5.381 1.343 -8.488 307 H GLU 37 H GLU 37 5.981 4.304 -10.874 308 HA GLU 37 HA GLU 37 5.884 7.053 -10.212 309 1HB GLU 37 1HB GLU 37 4.987 5.513 -12.680 310 2HB GLU 37 2HB GLU 37 5.407 7.224 -12.642 311 1HG GLU 37 1HG GLU 37 7.490 5.149 -11.774 312 2HG GLU 37 2HG GLU 37 7.116 5.357 -13.432 313 H ASP 38 H ASP 38 3.353 4.572 -10.614 314 HA ASP 38 HA ASP 38 1.093 6.221 -9.869 315 1HB ASP 38 1HB ASP 38 1.324 7.292 -11.969 316 2HB ASP 38 2HB ASP 38 1.989 5.863 -12.745 317 H GLY 39 H GLY 39 -0.876 4.793 -10.042 318 1HA GLY 39 1HA GLY 39 -0.710 2.133 -9.436 319 2HA GLY 39 2HA GLY 39 -2.071 2.859 -10.267 320 H VAL 40 H VAL 40 -0.720 3.410 -12.893 321 HA VAL 40 HA VAL 40 -1.070 0.772 -13.994 322 HB VAL 40 HB VAL 40 0.188 3.237 -15.282 323 1HG1 VAL 40 1HG1 VAL 40 0.595 1.185 -16.576 324 2HG1 VAL 40 2HG1 VAL 40 -1.136 0.797 -16.520 325 3HG1 VAL 40 3HG1 VAL 40 -0.562 2.229 -17.405 326 1HG2 VAL 40 1HG2 VAL 40 -2.138 3.699 -14.420 327 2HG2 VAL 40 2HG2 VAL 40 -2.013 3.772 -16.174 328 3HG2 VAL 40 3HG2 VAL 40 -2.739 2.350 -15.393 329 H ASP 41 H ASP 41 1.705 2.731 -13.013 330 HA ASP 41 HA ASP 41 3.753 0.895 -13.978 331 1HB ASP 41 1HB ASP 41 4.158 3.356 -13.655 332 2HB ASP 41 2HB ASP 41 3.934 3.139 -11.931 333 H ALA 42 H ALA 42 1.845 1.381 -10.939 334 HA ALA 42 HA ALA 42 3.391 -0.230 -9.318 335 1HB ALA 42 1HB ALA 42 1.431 -0.280 -7.867 336 2HB ALA 42 2HB ALA 42 1.400 1.293 -8.704 337 3HB ALA 42 3HB ALA 42 0.344 -0.024 -9.216 338 H LEU 43 H LEU 43 0.581 -1.055 -11.348 339 HA LEU 43 HA LEU 43 0.489 -3.824 -10.846 340 1HB LEU 43 1HB LEU 43 -1.074 -2.125 -12.205 341 2HB LEU 43 2HB LEU 43 -0.151 -2.740 -13.568 342 HG LEU 43 HG LEU 43 -0.752 -5.122 -12.532 343 1HD1 LEU 43 1HD1 LEU 43 -2.871 -5.183 -11.338 344 2HD1 LEU 43 2HD1 LEU 43 -1.760 -4.157 -10.427 345 3HD1 LEU 43 3HD1 LEU 43 -3.027 -3.417 -11.425 346 1HD2 LEU 43 1HD2 LEU 43 -2.757 -3.308 -13.942 347 2HD2 LEU 43 2HD2 LEU 43 -1.531 -4.343 -14.691 348 3HD2 LEU 43 3HD2 LEU 43 -2.889 -5.080 -13.830 349 H ASN 44 H ASN 44 2.347 -1.992 -13.245 350 HA ASN 44 HA ASN 44 3.652 -4.134 -14.607 351 1HB ASN 44 1HB ASN 44 3.713 -1.905 -15.500 352 2HB ASN 44 2HB ASN 44 4.473 -1.260 -14.062 353 1HD2 ASN 44 1HD2 ASN 44 5.186 -2.067 -17.162 354 2HD2 ASN 44 2HD2 ASN 44 6.912 -2.385 -16.944 355 H LYS 45 H LYS 45 4.682 -2.237 -11.704 356 HA LYS 45 HA LYS 45 7.023 -3.753 -11.156 357 1HB LYS 45 1HB LYS 45 5.264 -1.911 -9.554 358 2HB LYS 45 2HB LYS 45 6.207 -3.083 -8.652 359 1HG LYS 45 1HG LYS 45 7.498 -1.112 -8.738 360 2HG LYS 45 2HG LYS 45 8.276 -2.289 -9.784 361 1HD LYS 45 1HD LYS 45 7.286 -1.130 -11.771 362 2HD LYS 45 2HD LYS 45 6.495 0.025 -10.680 363 1HE LYS 45 1HE LYS 45 8.669 0.807 -9.849 364 2HE LYS 45 2HE LYS 45 9.512 -0.383 -10.851 365 1HZ LYS 45 1HZ LYS 45 9.497 1.772 -11.924 366 2HZ LYS 45 2HZ LYS 45 8.598 0.720 -12.799 367 3HZ LYS 45 3HZ LYS 45 7.839 1.823 -11.886 368 H LEU 46 H LEU 46 3.648 -4.337 -9.963 369 HA LEU 46 HA LEU 46 4.261 -6.570 -8.376 370 1HB LEU 46 1HB LEU 46 1.754 -6.619 -10.093 371 2HB LEU 46 2HB LEU 46 2.010 -7.328 -8.509 372 HG LEU 46 HG LEU 46 1.657 -4.437 -9.217 373 1HD1 LEU 46 1HD1 LEU 46 -0.373 -4.563 -8.061 374 2HD1 LEU 46 2HD1 LEU 46 -0.338 -5.890 -9.218 375 3HD1 LEU 46 3HD1 LEU 46 -0.047 -6.224 -7.494 376 1HD2 LEU 46 1HD2 LEU 46 2.124 -5.528 -6.427 377 2HD2 LEU 46 2HD2 LEU 46 3.272 -4.523 -7.339 378 3HD2 LEU 46 3HD2 LEU 46 1.721 -3.852 -6.885 379 H GLN 47 H GLN 47 3.587 -6.459 -11.871 380 HA GLN 47 HA GLN 47 3.910 -9.276 -12.303 381 1HB GLN 47 1HB GLN 47 3.857 -6.845 -14.124 382 2HB GLN 47 2HB GLN 47 4.012 -8.493 -14.742 383 1HG GLN 47 1HG GLN 47 1.945 -9.185 -13.694 384 2HG GLN 47 2HG GLN 47 1.750 -7.619 -12.902 385 1HE2 GLN 47 1HE2 GLN 47 1.206 -5.793 -14.136 386 2HE2 GLN 47 2HE2 GLN 47 0.522 -5.895 -15.755 387 H ALA 48 H ALA 48 6.366 -7.497 -11.182 388 HA ALA 48 HA ALA 48 8.405 -9.040 -12.743 389 1HB ALA 48 1HB ALA 48 10.065 -7.790 -11.398 390 2HB ALA 48 2HB ALA 48 9.023 -6.723 -12.347 391 3HB ALA 48 3HB ALA 48 8.739 -6.905 -10.615 392 H GLY 49 H GLY 49 6.336 -9.464 -10.108 393 1HA GLY 49 1HA GLY 49 6.075 -11.249 -8.775 394 2HA GLY 49 2HA GLY 49 7.486 -11.998 -9.517 395 H GLY 50 H GLY 50 6.888 -12.350 -6.831 396 1HA GLY 50 1HA GLY 50 7.976 -12.364 -4.791 397 2HA GLY 50 2HA GLY 50 9.312 -11.464 -5.504 398 H TYR 51 H TYR 51 6.023 -10.210 -5.737 399 HA TYR 51 HA TYR 51 6.644 -7.991 -3.840 400 1HB TYR 51 1HB TYR 51 4.529 -8.325 -6.015 401 2HB TYR 51 2HB TYR 51 4.465 -7.057 -4.790 402 HD1 TYR 51 1HD TYR 51 5.678 -5.030 -5.074 403 HD2 TYR 51 2HD TYR 51 6.692 -8.474 -7.448 404 HE1 TYR 51 1HE TYR 51 7.407 -3.714 -6.250 405 HE2 TYR 51 2HE TYR 51 8.511 -7.238 -8.508 406 HH TYR 51 HH TYR 51 9.142 -3.776 -7.826 407 H GLY 52 H GLY 52 5.098 -7.605 -2.119 408 1HA GLY 52 1HA GLY 52 2.849 -9.499 -1.851 409 2HA GLY 52 2HA GLY 52 4.110 -9.702 -0.680 410 H PHE 53 H PHE 53 3.799 -6.363 -1.606 411 HA PHE 53 HA PHE 53 1.549 -5.753 0.122 412 1HB PHE 53 1HB PHE 53 4.393 -5.282 0.907 413 2HB PHE 53 2HB PHE 53 3.389 -3.842 0.920 414 HD1 PHE 53 1HD PHE 53 1.507 -3.568 2.415 415 HD2 PHE 53 2HD PHE 53 3.913 -7.147 2.470 416 HE1 PHE 53 1HE PHE 53 0.628 -4.114 4.633 417 HE2 PHE 53 2HE PHE 53 2.983 -7.744 4.686 418 HZ PHE 53 HZ PHE 53 1.341 -6.256 5.785 419 H VAL 54 H VAL 54 0.458 -4.102 -0.839 420 HA VAL 54 HA VAL 54 1.866 -2.573 -2.969 421 HB VAL 54 HB VAL 54 -0.851 -3.883 -3.323 422 1HG1 VAL 54 1HG1 VAL 54 -0.271 -3.482 -5.750 423 2HG1 VAL 54 2HG1 VAL 54 -0.490 -1.990 -4.828 424 3HG1 VAL 54 3HG1 VAL 54 1.147 -2.581 -5.211 425 1HG2 VAL 54 1HG2 VAL 54 1.935 -4.838 -4.104 426 2HG2 VAL 54 2HG2 VAL 54 0.682 -5.715 -3.188 427 3HG2 VAL 54 3HG2 VAL 54 0.470 -5.391 -4.909 428 H ILE 55 H ILE 55 2.041 -0.784 -1.738 429 HA ILE 55 HA ILE 55 -0.321 0.281 -0.371 430 HB ILE 55 HB ILE 55 2.593 1.047 -0.027 431 1HG1 ILE 55 1HG1 ILE 55 1.058 -1.234 1.264 432 2HG1 ILE 55 2HG1 ILE 55 2.571 -1.328 0.371 433 1HG2 ILE 55 1HG2 ILE 55 0.891 2.609 0.871 434 2HG2 ILE 55 2HG2 ILE 55 0.259 1.306 1.891 435 3HG2 ILE 55 3HG2 ILE 55 1.912 1.920 2.118 436 1HD1 ILE 55 1HD1 ILE 55 2.243 -0.174 3.155 437 2HD1 ILE 55 2HD1 ILE 55 2.961 -1.710 2.696 438 3HD1 ILE 55 3HD1 ILE 55 3.751 -0.201 2.197 439 H SER 56 H SER 56 -1.249 2.200 -1.105 440 HA SER 56 HA SER 56 0.062 3.664 -3.341 441 1HB SER 56 1HB SER 56 -2.026 3.219 -4.703 442 2HB SER 56 2HB SER 56 -1.007 1.791 -4.445 443 HG SER 56 HG SER 56 -3.170 2.455 -2.763 444 H ASP 57 H ASP 57 -0.749 5.808 -3.621 445 HA ASP 57 HA ASP 57 -2.742 6.769 -1.710 446 1HB ASP 57 1HB ASP 57 -0.890 8.178 -2.888 447 2HB ASP 57 2HB ASP 57 -2.024 8.271 -4.232 448 H TRP 58 H TRP 58 -4.695 7.799 -2.545 449 HA TRP 58 HA TRP 58 -6.348 6.038 -4.211 450 1HB TRP 58 1HB TRP 58 -7.058 7.310 -2.066 451 2HB TRP 58 2HB TRP 58 -7.018 8.778 -3.025 452 HD1 TRP 58 HD TRP 58 -8.805 8.721 -5.251 453 HE1 TRP 58 1HE TRP 58 -10.894 7.429 -5.644 454 HE3 TRP 58 3HE TRP 58 -8.266 5.224 -1.584 455 HZ2 TRP 58 2HZ TRP 58 -12.461 5.329 -4.270 456 HZ3 TRP 58 3HZ TRP 58 -9.987 3.487 -1.280 457 HH2 TRP 58 HH TRP 58 -12.085 3.551 -2.521 458 H ASN 59 H ASN 59 -4.933 9.309 -4.138 459 HA ASN 59 HA ASN 59 -6.131 10.107 -6.702 460 1HB ASN 59 1HB ASN 59 -4.421 11.464 -4.564 461 2HB ASN 59 2HB ASN 59 -4.709 12.212 -6.123 462 1HD2 ASN 59 1HD2 ASN 59 -7.320 10.327 -4.584 463 2HD2 ASN 59 2HD2 ASN 59 -8.266 11.743 -4.136 464 H MET 60 H MET 60 -5.030 8.467 -8.065 465 HA MET 60 HA MET 60 -2.116 8.910 -8.418 466 1HB MET 60 1HB MET 60 -4.151 7.073 -9.743 467 2HB MET 60 2HB MET 60 -2.480 7.184 -10.248 468 1HG MET 60 1HG MET 60 -3.498 6.264 -7.566 469 2HG MET 60 2HG MET 60 -2.645 5.345 -8.808 470 1HE MET 60 1HE MET 60 -2.156 4.862 -6.201 471 2HE MET 60 2HE MET 60 -0.935 4.187 -7.305 472 3HE MET 60 3HE MET 60 -0.455 5.013 -5.820 473 HA PRO 61 HA PRO 61 -2.900 11.350 -12.169 474 1HB PRO 61 1HB PRO 61 -0.672 10.977 -13.632 475 2HB PRO 61 2HB PRO 61 -0.607 11.830 -12.055 476 1HG PRO 61 1HG PRO 61 -0.036 8.910 -12.636 477 2HG PRO 61 2HG PRO 61 1.012 10.068 -11.747 478 1HD PRO 61 1HD PRO 61 -0.685 8.364 -10.453 479 2HD PRO 61 2HD PRO 61 -0.385 10.015 -9.849 480 H ASN 62 H ASN 62 -3.049 7.889 -12.106 481 HA ASN 62 HA ASN 62 -4.474 8.028 -14.655 482 1HB ASN 62 1HB ASN 62 -1.972 7.378 -15.055 483 2HB ASN 62 2HB ASN 62 -2.410 5.822 -14.435 484 1HD2 ASN 62 1HD2 ASN 62 -1.530 6.407 -17.137 485 2HD2 ASN 62 2HD2 ASN 62 -2.865 6.048 -18.206 486 H MET 63 H MET 63 -3.218 5.266 -12.754 487 HA MET 63 HA MET 63 -5.986 4.148 -12.701 488 1HB MET 63 1HB MET 63 -4.346 2.660 -13.598 489 2HB MET 63 2HB MET 63 -3.255 2.929 -12.240 490 1HG MET 63 1HG MET 63 -4.816 1.819 -10.715 491 2HG MET 63 2HG MET 63 -5.976 1.592 -12.019 492 1HE MET 63 1HE MET 63 -6.017 -0.334 -13.617 493 2HE MET 63 2HE MET 63 -4.681 0.456 -14.486 494 3HE MET 63 3HE MET 63 -4.601 -1.281 -14.113 495 H ASP 64 H ASP 64 -6.947 5.348 -11.126 496 HA ASP 64 HA ASP 64 -6.066 6.292 -8.683 497 1HB ASP 64 1HB ASP 64 -8.101 7.015 -9.510 498 2HB ASP 64 2HB ASP 64 -8.637 5.404 -9.903 499 H GLY 65 H GLY 65 -6.200 5.532 -6.530 500 1HA GLY 65 1HA GLY 65 -4.870 3.140 -6.012 501 2HA GLY 65 2HA GLY 65 -5.803 4.033 -4.824 502 H LEU 66 H LEU 66 -8.389 3.639 -6.190 503 HA LEU 66 HA LEU 66 -8.980 1.084 -4.950 504 1HB LEU 66 1HB LEU 66 -10.297 3.324 -4.908 505 2HB LEU 66 2HB LEU 66 -10.875 2.894 -6.496 506 HG LEU 66 HG LEU 66 -12.328 2.454 -4.441 507 1HD1 LEU 66 1HD1 LEU 66 -13.399 0.488 -5.258 508 2HD1 LEU 66 2HD1 LEU 66 -12.963 1.560 -6.599 509 3HD1 LEU 66 3HD1 LEU 66 -11.991 0.101 -6.285 510 1HD2 LEU 66 1HD2 LEU 66 -10.535 1.300 -3.116 511 2HD2 LEU 66 2HD2 LEU 66 -12.057 0.387 -3.256 512 3HD2 LEU 66 3HD2 LEU 66 -10.687 -0.074 -4.258 513 H GLU 67 H GLU 67 -8.657 2.471 -8.188 514 HA GLU 67 HA GLU 67 -9.742 0.191 -9.611 515 1HB GLU 67 1HB GLU 67 -7.796 2.337 -10.551 516 2HB GLU 67 2HB GLU 67 -8.620 1.166 -11.576 517 1HG GLU 67 1HG GLU 67 -10.123 3.200 -9.870 518 2HG GLU 67 2HG GLU 67 -9.569 3.521 -11.504 519 H LEU 68 H LEU 68 -6.438 1.223 -8.593 520 HA LEU 68 HA LEU 68 -5.055 -1.026 -9.668 521 1HB LEU 68 1HB LEU 68 -3.867 0.909 -8.838 522 2HB LEU 68 2HB LEU 68 -4.463 0.639 -7.198 523 HG LEU 68 HG LEU 68 -3.181 -1.550 -7.167 524 1HD1 LEU 68 1HD1 LEU 68 -2.037 -0.455 -9.771 525 2HD1 LEU 68 2HD1 LEU 68 -1.341 -1.807 -8.856 526 3HD1 LEU 68 3HD1 LEU 68 -2.950 -1.955 -9.582 527 1HD2 LEU 68 1HD2 LEU 68 -2.282 0.477 -6.127 528 2HD2 LEU 68 2HD2 LEU 68 -0.988 -0.515 -6.817 529 3HD2 LEU 68 3HD2 LEU 68 -1.538 0.957 -7.657 530 H LEU 69 H LEU 69 -6.516 -0.557 -6.425 531 HA LEU 69 HA LEU 69 -6.071 -3.149 -5.383 532 1HB LEU 69 1HB LEU 69 -6.884 -1.624 -3.854 533 2HB LEU 69 2HB LEU 69 -8.127 -1.027 -4.926 534 HG LEU 69 HG LEU 69 -9.602 -2.798 -4.545 535 1HD1 LEU 69 1HD1 LEU 69 -9.371 -4.796 -3.480 536 2HD1 LEU 69 2HD1 LEU 69 -7.713 -4.701 -4.100 537 3HD1 LEU 69 3HD1 LEU 69 -8.073 -4.289 -2.430 538 1HD2 LEU 69 1HD2 LEU 69 -8.255 -1.973 -1.958 539 2HD2 LEU 69 2HD2 LEU 69 -9.477 -1.039 -2.785 540 3HD2 LEU 69 3HD2 LEU 69 -9.917 -2.594 -2.066 541 H LYS 70 H LYS 70 -8.964 -1.980 -7.278 542 HA LYS 70 HA LYS 70 -10.080 -4.627 -7.289 543 1HB LYS 70 1HB LYS 70 -10.642 -2.131 -8.926 544 2HB LYS 70 2HB LYS 70 -11.492 -3.660 -9.184 545 1HG LYS 70 1HG LYS 70 -12.107 -3.706 -6.751 546 2HG LYS 70 2HG LYS 70 -11.417 -2.093 -6.563 547 1HD LYS 70 1HD LYS 70 -13.044 -1.155 -8.139 548 2HD LYS 70 2HD LYS 70 -13.567 -2.780 -8.608 549 1HE LYS 70 1HE LYS 70 -14.299 -3.171 -6.219 550 2HE LYS 70 2HE LYS 70 -14.036 -1.438 -5.927 551 1HZ LYS 70 1HZ LYS 70 -15.681 -0.958 -7.589 552 2HZ LYS 70 2HZ LYS 70 -15.830 -2.542 -8.000 553 3HZ LYS 70 3HZ LYS 70 -16.321 -2.059 -6.516 554 H THR 71 H THR 71 -7.715 -3.167 -9.460 555 HA THR 71 HA THR 71 -7.919 -5.165 -11.521 556 HB THR 71 HB THR 71 -5.479 -3.530 -10.672 557 HG1 THR 71 1HG THR 71 -7.146 -2.126 -11.116 558 1HG2 THR 71 1HG2 THR 71 -4.883 -3.736 -13.063 559 2HG2 THR 71 2HG2 THR 71 -4.941 -5.321 -12.274 560 3HG2 THR 71 3HG2 THR 71 -6.271 -4.810 -13.330 561 H ILE 72 H ILE 72 -5.862 -4.853 -8.567 562 HA ILE 72 HA ILE 72 -4.596 -7.414 -8.743 563 HB ILE 72 HB ILE 72 -5.175 -5.329 -6.623 564 1HG1 ILE 72 1HG1 ILE 72 -2.450 -6.372 -7.504 565 2HG1 ILE 72 2HG1 ILE 72 -3.310 -5.183 -8.467 566 1HG2 ILE 72 1HG2 ILE 72 -5.302 -7.271 -5.260 567 2HG2 ILE 72 2HG2 ILE 72 -3.918 -8.008 -6.070 568 3HG2 ILE 72 3HG2 ILE 72 -3.690 -6.593 -5.030 569 1HD1 ILE 72 1HD1 ILE 72 -3.590 -3.833 -6.226 570 2HD1 ILE 72 2HD1 ILE 72 -2.241 -4.852 -5.668 571 3HD1 ILE 72 3HD1 ILE 72 -2.073 -3.791 -7.086 572 H ARG 73 H ARG 73 -7.581 -6.308 -7.161 573 HA ARG 73 HA ARG 73 -8.243 -8.873 -6.072 574 1HB ARG 73 1HB ARG 73 -8.912 -6.284 -5.477 575 2HB ARG 73 2HB ARG 73 -10.403 -6.815 -6.213 576 1HG ARG 73 1HG ARG 73 -8.956 -8.440 -4.059 577 2HG ARG 73 2HG ARG 73 -9.934 -7.056 -3.616 578 1HD ARG 73 1HD ARG 73 -11.060 -9.380 -5.216 579 2HD ARG 73 2HD ARG 73 -11.053 -9.289 -3.463 580 HE ARG 73 HE ARG 73 -12.419 -7.368 -3.484 581 1HH1 ARG 73 2HH2 ARG 73 -12.187 -8.722 -6.766 582 2HH1 ARG 73 1HH2 ARG 73 -13.660 -8.007 -7.314 583 1HH2 ARG 73 2HH1 ARG 73 -14.340 -6.527 -4.102 584 2HH2 ARG 73 1HH1 ARG 73 -14.946 -6.677 -5.727 585 H ALA 74 H ALA 74 -8.124 -8.321 -9.229 586 HA ALA 74 HA ALA 74 -10.778 -8.940 -10.166 587 1HB ALA 74 1HB ALA 74 -8.089 -9.395 -11.532 588 2HB ALA 74 2HB ALA 74 -9.683 -9.299 -12.313 589 3HB ALA 74 3HB ALA 74 -8.985 -7.860 -11.555 590 H ASP 75 H ASP 75 -8.321 -10.827 -8.644 591 HA ASP 75 HA ASP 75 -7.959 -12.940 -8.201 592 1HB ASP 75 1HB ASP 75 -10.545 -12.788 -7.702 593 2HB ASP 75 2HB ASP 75 -10.705 -13.805 -9.131 594 H GLY 76 H GLY 76 -8.300 -15.324 -9.379 595 1HA GLY 76 1HA GLY 76 -7.428 -16.549 -11.186 596 2HA GLY 76 2HA GLY 76 -7.390 -15.093 -12.195 597 H ALA 77 H ALA 77 -6.035 -13.365 -10.218 598 HA ALA 77 HA ALA 77 -3.904 -14.800 -8.960 599 1HB ALA 77 1HB ALA 77 -3.296 -12.574 -10.981 600 2HB ALA 77 2HB ALA 77 -2.115 -13.355 -9.912 601 3HB ALA 77 3HB ALA 77 -2.887 -14.287 -11.209 602 H MET 78 H MET 78 -2.969 -13.401 -7.407 603 HA MET 78 HA MET 78 -2.330 -11.682 -6.201 604 1HB MET 78 1HB MET 78 -3.772 -9.869 -8.166 605 2HB MET 78 2HB MET 78 -2.563 -9.421 -6.979 606 1HG MET 78 1HG MET 78 -1.216 -11.381 -8.301 607 2HG MET 78 2HG MET 78 -2.213 -10.703 -9.593 608 1HE MET 78 1HE MET 78 1.204 -9.085 -10.454 609 2HE MET 78 2HE MET 78 0.799 -10.748 -9.982 610 3HE MET 78 3HE MET 78 -0.263 -9.859 -11.092 611 H SER 79 H SER 79 -5.588 -12.332 -6.443 612 HA SER 79 HA SER 79 -6.710 -10.221 -4.982 613 1HB SER 79 1HB SER 79 -7.576 -13.112 -5.197 614 2HB SER 79 2HB SER 79 -8.424 -11.988 -4.123 615 HG SER 79 HG SER 79 -9.459 -11.583 -5.872 616 H ALA 80 H ALA 80 -4.638 -12.726 -3.549 617 HA ALA 80 HA ALA 80 -5.674 -12.284 -0.868 618 1HB ALA 80 1HB ALA 80 -4.558 -14.385 -1.609 619 2HB ALA 80 2HB ALA 80 -3.018 -13.488 -1.703 620 3HB ALA 80 3HB ALA 80 -3.851 -13.668 -0.145 621 H LEU 81 H LEU 81 -3.581 -10.409 -2.899 622 HA LEU 81 HA LEU 81 -1.530 -9.658 -1.231 623 1HB LEU 81 1HB LEU 81 -2.996 -8.251 -3.464 624 2HB LEU 81 2HB LEU 81 -1.849 -7.321 -2.531 625 HG LEU 81 HG LEU 81 -1.116 -9.846 -4.057 626 1HD1 LEU 81 1HD1 LEU 81 -0.965 -6.872 -4.650 627 2HD1 LEU 81 2HD1 LEU 81 0.109 -8.035 -5.481 628 3HD1 LEU 81 3HD1 LEU 81 -1.645 -8.121 -5.633 629 1HD2 LEU 81 1HD2 LEU 81 1.230 -8.966 -3.630 630 2HD2 LEU 81 2HD2 LEU 81 0.530 -7.817 -2.464 631 3HD2 LEU 81 3HD2 LEU 81 0.410 -9.563 -2.187 632 HA PRO 82 HA PRO 82 -3.510 -6.678 1.602 633 1HB PRO 82 1HB PRO 82 -1.301 -5.805 2.918 634 2HB PRO 82 2HB PRO 82 -2.083 -7.377 3.270 635 1HG PRO 82 1HG PRO 82 0.345 -6.830 1.576 636 2HG PRO 82 2HG PRO 82 0.112 -8.131 2.770 637 1HD PRO 82 1HD PRO 82 -0.221 -8.457 0.040 638 2HD PRO 82 2HD PRO 82 -1.123 -9.421 1.241 639 H VAL 83 H VAL 83 -4.081 -5.482 -0.357 640 HA VAL 83 HA VAL 83 -2.238 -3.356 -1.107 641 HB VAL 83 HB VAL 83 -3.850 -2.461 -2.544 642 1HG1 VAL 83 1HG1 VAL 83 -4.523 -4.260 -3.998 643 2HG1 VAL 83 2HG1 VAL 83 -2.946 -4.679 -3.337 644 3HG1 VAL 83 3HG1 VAL 83 -4.413 -5.466 -2.703 645 1HG2 VAL 83 1HG2 VAL 83 -5.926 -4.208 -1.160 646 2HG2 VAL 83 2HG2 VAL 83 -5.827 -2.421 -1.137 647 3HG2 VAL 83 3HG2 VAL 83 -6.160 -3.257 -2.640 648 H LEU 84 H LEU 84 -2.353 -1.184 -0.297 649 HA LEU 84 HA LEU 84 -4.098 -0.807 2.100 650 1HB LEU 84 1HB LEU 84 -1.968 -1.758 2.845 651 2HB LEU 84 2HB LEU 84 -1.078 -0.531 1.953 652 HG LEU 84 HG LEU 84 -1.945 1.236 3.430 653 1HD1 LEU 84 1HD1 LEU 84 -3.544 -1.023 4.680 654 2HD1 LEU 84 2HD1 LEU 84 -3.190 0.498 5.539 655 3HD1 LEU 84 3HD1 LEU 84 -4.103 0.549 4.039 656 1HD2 LEU 84 1HD2 LEU 84 -0.853 -1.133 5.006 657 2HD2 LEU 84 2HD2 LEU 84 0.110 0.034 4.076 658 3HD2 LEU 84 3HD2 LEU 84 -0.792 0.580 5.491 659 H MET 85 H MET 85 -5.146 1.082 1.955 660 HA MET 85 HA MET 85 -4.340 3.032 -0.117 661 1HB MET 85 1HB MET 85 -6.552 3.357 1.928 662 2HB MET 85 2HB MET 85 -6.384 4.174 0.394 663 1HG MET 85 1HG MET 85 -6.966 1.181 0.665 664 2HG MET 85 2HG MET 85 -8.187 2.427 0.609 665 1HE MET 85 1HE MET 85 -6.008 0.054 -1.404 666 2HE MET 85 2HE MET 85 -5.843 0.849 -2.981 667 3HE MET 85 3HE MET 85 -4.929 1.460 -1.590 668 H VAL 86 H VAL 86 -2.953 4.765 0.383 669 HA VAL 86 HA VAL 86 -2.823 5.748 3.185 670 HB VAL 86 HB VAL 86 -0.436 5.147 1.374 671 1HG1 VAL 86 1HG1 VAL 86 -0.035 7.134 2.759 672 2HG1 VAL 86 2HG1 VAL 86 -0.532 6.245 4.227 673 3HG1 VAL 86 3HG1 VAL 86 0.932 5.788 3.327 674 1HG2 VAL 86 1HG2 VAL 86 -1.231 3.072 2.295 675 2HG2 VAL 86 2HG2 VAL 86 0.236 3.549 3.165 676 3HG2 VAL 86 3HG2 VAL 86 -1.346 3.759 3.926 677 H THR 87 H THR 87 -3.623 7.862 2.967 678 HA THR 87 HA THR 87 -2.653 9.488 0.721 679 HB THR 87 HB THR 87 -4.384 8.108 -0.294 680 HG1 THR 87 1HG THR 87 -4.612 9.934 -1.221 681 1HG2 THR 87 1HG2 THR 87 -6.278 9.051 1.895 682 2HG2 THR 87 2HG2 THR 87 -6.729 8.142 0.434 683 3HG2 THR 87 3HG2 THR 87 -5.691 7.399 1.645 684 H ALA 88 H ALA 88 -3.783 11.689 0.766 685 HA ALA 88 HA ALA 88 -4.207 12.766 3.478 686 1HB ALA 88 1HB ALA 88 -4.849 13.960 0.736 687 2HB ALA 88 2HB ALA 88 -4.804 14.822 2.284 688 3HB ALA 88 3HB ALA 88 -3.313 14.173 1.587 689 H GLU 89 H GLU 89 -6.101 11.291 0.882 690 HA GLU 89 HA GLU 89 -8.504 12.731 1.285 691 1HB GLU 89 1HB GLU 89 -7.834 10.132 -0.129 692 2HB GLU 89 2HB GLU 89 -9.449 10.824 -0.150 693 1HG GLU 89 1HG GLU 89 -7.237 12.715 -0.888 694 2HG GLU 89 2HG GLU 89 -7.521 11.364 -1.978 695 H ALA 90 H ALA 90 -9.085 12.645 3.498 696 HA ALA 90 HA ALA 90 -9.844 10.162 4.762 697 1HB ALA 90 1HB ALA 90 -9.382 12.483 5.868 698 2HB ALA 90 2HB ALA 90 -11.050 12.848 5.426 699 3HB ALA 90 3HB ALA 90 -10.718 11.467 6.479 700 H LYS 91 H LYS 91 -11.137 11.361 2.021 701 HA LYS 91 HA LYS 91 -13.834 11.874 2.260 702 1HB LYS 91 1HB LYS 91 -12.404 11.918 0.143 703 2HB LYS 91 2HB LYS 91 -12.537 10.183 0.092 704 1HG LYS 91 1HG LYS 91 -14.320 10.505 -1.246 705 2HG LYS 91 2HG LYS 91 -15.217 10.919 0.221 706 1HD LYS 91 1HD LYS 91 -14.565 13.315 -0.133 707 2HD LYS 91 2HD LYS 91 -13.781 12.873 -1.643 708 1HE LYS 91 1HE LYS 91 -16.760 12.459 -1.057 709 2HE LYS 91 2HE LYS 91 -16.078 13.891 -1.827 710 1HZ LYS 91 1HZ LYS 91 -15.230 12.390 -3.596 711 2HZ LYS 91 2HZ LYS 91 -16.201 11.181 -2.985 712 3HZ LYS 91 3HZ LYS 91 -16.867 12.538 -3.503 713 H LYS 92 H LYS 92 -15.074 10.769 3.710 714 HA LYS 92 HA LYS 92 -14.937 8.126 4.421 715 1HB LYS 92 1HB LYS 92 -17.185 10.116 4.283 716 2HB LYS 92 2HB LYS 92 -17.585 8.435 4.659 717 1HG LYS 92 1HG LYS 92 -16.318 8.420 6.644 718 2HG LYS 92 2HG LYS 92 -15.334 9.802 6.155 719 1HD LYS 92 1HD LYS 92 -16.964 10.380 7.939 720 2HD LYS 92 2HD LYS 92 -17.149 11.343 6.467 721 1HE LYS 92 1HE LYS 92 -19.001 9.830 5.741 722 2HE LYS 92 2HE LYS 92 -18.871 8.954 7.273 723 1HZ LYS 92 1HZ LYS 92 -19.397 11.855 7.055 724 2HZ LYS 92 2HZ LYS 92 -20.579 10.729 7.176 725 3HZ LYS 92 3HZ LYS 92 -19.529 10.933 8.423 726 H GLU 93 H GLU 93 -16.862 9.365 1.679 727 HA GLU 93 HA GLU 93 -17.881 7.093 0.605 728 1HB GLU 93 1HB GLU 93 -17.809 9.603 -0.131 729 2HB GLU 93 2HB GLU 93 -16.369 9.176 -1.026 730 1HG GLU 93 1HG GLU 93 -17.686 7.513 -2.327 731 2HG GLU 93 2HG GLU 93 -19.147 7.991 -1.427 732 H ASN 94 H ASN 94 -14.440 8.106 0.299 733 HA ASN 94 HA ASN 94 -13.660 5.972 -1.520 734 1HB ASN 94 1HB ASN 94 -11.984 7.803 0.255 735 2HB ASN 94 2HB ASN 94 -11.347 6.595 -0.833 736 1HD2 ASN 94 1HD2 ASN 94 -10.252 8.792 -1.393 737 2HD2 ASN 94 2HD2 ASN 94 -10.956 9.619 -2.766 738 H ILE 95 H ILE 95 -13.552 6.597 2.025 739 HA ILE 95 HA ILE 95 -12.263 4.146 2.732 740 HB ILE 95 HB ILE 95 -14.110 6.000 4.269 741 1HG1 ILE 95 1HG1 ILE 95 -12.025 5.863 5.838 742 2HG1 ILE 95 2HG1 ILE 95 -11.184 5.222 4.443 743 1HG2 ILE 95 1HG2 ILE 95 -13.791 4.530 6.261 744 2HG2 ILE 95 2HG2 ILE 95 -14.811 3.822 5.027 745 3HG2 ILE 95 3HG2 ILE 95 -13.126 3.288 5.167 746 1HD1 ILE 95 1HD1 ILE 95 -11.624 7.364 3.232 747 2HD1 ILE 95 2HD1 ILE 95 -12.572 7.941 4.627 748 3HD1 ILE 95 3HD1 ILE 95 -10.838 7.665 4.786 749 H ILE 96 H ILE 96 -15.767 4.836 2.170 750 HA ILE 96 HA ILE 96 -16.671 2.163 2.623 751 HB ILE 96 HB ILE 96 -17.827 4.398 0.900 752 1HG1 ILE 96 1HG1 ILE 96 -19.814 3.886 2.532 753 2HG1 ILE 96 2HG1 ILE 96 -18.615 3.041 3.511 754 1HG2 ILE 96 1HG2 ILE 96 -19.824 2.995 0.513 755 2HG2 ILE 96 2HG2 ILE 96 -18.424 2.324 -0.287 756 3HG2 ILE 96 3HG2 ILE 96 -18.989 1.603 1.238 757 1HD1 ILE 96 1HD1 ILE 96 -17.424 5.097 3.880 758 2HD1 ILE 96 2HD1 ILE 96 -18.387 5.943 2.619 759 3HD1 ILE 96 3HD1 ILE 96 -19.147 5.421 4.122 760 H ALA 97 H ALA 97 -15.673 3.766 -0.469 761 HA ALA 97 HA ALA 97 -16.042 1.517 -2.088 762 1HB ALA 97 1HB ALA 97 -15.718 3.629 -3.123 763 2HB ALA 97 2HB ALA 97 -14.163 3.880 -2.335 764 3HB ALA 97 3HB ALA 97 -14.351 2.638 -3.603 765 H ALA 98 H ALA 98 -13.104 2.449 -0.262 766 HA ALA 98 HA ALA 98 -11.432 0.355 -1.164 767 1HB ALA 98 1HB ALA 98 -10.712 2.338 0.240 768 2HB ALA 98 2HB ALA 98 -11.499 1.611 1.632 769 3HB ALA 98 3HB ALA 98 -10.120 0.791 0.870 770 H ALA 99 H ALA 99 -13.592 0.524 1.717 771 HA ALA 99 HA ALA 99 -12.986 -2.104 2.670 772 1HB ALA 99 1HB ALA 99 -13.986 -0.312 4.073 773 2HB ALA 99 2HB ALA 99 -15.459 -0.339 3.091 774 3HB ALA 99 3HB ALA 99 -15.016 -1.753 4.071 775 H GLN 100 H GLN 100 -15.519 -0.848 0.522 776 HA GLN 100 HA GLN 100 -17.002 -3.188 0.040 777 1HB GLN 100 1HB GLN 100 -16.477 -0.637 -1.514 778 2HB GLN 100 2HB GLN 100 -17.473 -1.902 -2.196 779 1HG GLN 100 1HG GLN 100 -18.037 -0.770 0.581 780 2HG GLN 100 2HG GLN 100 -18.652 -0.022 -0.896 781 1HE2 GLN 100 1HE2 GLN 100 -18.989 -2.837 1.269 782 2HE2 GLN 100 2HE2 GLN 100 -20.411 -3.426 0.438 783 H ALA 101 H ALA 101 -14.273 -1.829 -1.932 784 HA ALA 101 HA ALA 101 -14.108 -4.010 -3.723 785 1HB ALA 101 1HB ALA 101 -13.001 -1.842 -4.109 786 2HB ALA 101 2HB ALA 101 -11.986 -2.081 -2.685 787 3HB ALA 101 3HB ALA 101 -11.794 -3.148 -4.095 788 H GLY 102 H GLY 102 -12.699 -3.459 -0.499 789 1HA GLY 102 1HA GLY 102 -12.518 -5.342 1.001 790 2HA GLY 102 2HA GLY 102 -11.984 -6.359 -0.338 791 H ALA 103 H ALA 103 -10.812 -3.026 0.272 792 HA ALA 103 HA ALA 103 -8.091 -3.739 -0.096 793 1HB ALA 103 1HB ALA 103 -7.594 -1.504 0.374 794 2HB ALA 103 2HB ALA 103 -9.289 -1.362 -0.125 795 3HB ALA 103 3HB ALA 103 -8.888 -1.346 1.586 796 H SER 104 H SER 104 -6.324 -3.867 1.512 797 HA SER 104 HA SER 104 -7.202 -5.377 3.807 798 1HB SER 104 1HB SER 104 -5.027 -5.984 4.079 799 2HB SER 104 2HB SER 104 -5.202 -5.794 2.347 800 HG SER 104 HG SER 104 -4.173 -3.786 2.483 801 H GLY 105 H GLY 105 -6.611 -1.978 3.283 802 1HA GLY 105 1HA GLY 105 -7.665 -1.286 5.775 803 2HA GLY 105 2HA GLY 105 -5.898 -1.179 5.900 804 H TYR 106 H TYR 106 -7.198 1.089 6.259 805 HA TYR 106 HA TYR 106 -6.512 2.688 3.902 806 1HB TYR 106 1HB TYR 106 -9.104 2.298 4.369 807 2HB TYR 106 2HB TYR 106 -8.856 3.435 5.675 808 HD1 TYR 106 1HD TYR 106 -9.803 3.079 2.332 809 HD2 TYR 106 2HD TYR 106 -7.595 5.760 4.882 810 HE1 TYR 106 1HE TYR 106 -10.207 4.929 0.731 811 HE2 TYR 106 2HE TYR 106 -7.948 7.580 3.260 812 HH TYR 106 HH TYR 106 -9.176 8.268 1.466 813 H VAL 107 H VAL 107 -5.290 4.440 4.493 814 HA VAL 107 HA VAL 107 -4.945 5.165 7.346 815 HB VAL 107 HB VAL 107 -2.874 4.675 5.159 816 1HG1 VAL 107 1HG1 VAL 107 -2.495 5.840 7.925 817 2HG1 VAL 107 2HG1 VAL 107 -1.170 5.314 6.851 818 3HG1 VAL 107 3HG1 VAL 107 -2.205 6.658 6.371 819 1HG2 VAL 107 1HG2 VAL 107 -3.571 2.614 6.346 820 2HG2 VAL 107 2HG2 VAL 107 -1.898 3.042 6.712 821 3HG2 VAL 107 3HG2 VAL 107 -3.174 3.391 7.900 822 H VAL 108 H VAL 108 -4.920 7.408 7.605 823 HA VAL 108 HA VAL 108 -5.016 9.029 5.131 824 HB VAL 108 HB VAL 108 -6.496 9.810 7.646 825 1HG1 VAL 108 1HG1 VAL 108 -6.873 10.480 4.686 826 2HG1 VAL 108 2HG1 VAL 108 -7.752 11.172 6.063 827 3HG1 VAL 108 3HG1 VAL 108 -6.048 11.523 5.864 828 1HG2 VAL 108 1HG2 VAL 108 -7.555 7.682 7.063 829 2HG2 VAL 108 2HG2 VAL 108 -8.608 9.018 6.578 830 3HG2 VAL 108 3HG2 VAL 108 -7.645 8.169 5.355 831 H LYS 109 H LYS 109 -3.889 11.092 5.353 832 HA LYS 109 HA LYS 109 -1.856 11.268 7.390 833 1HB LYS 109 1HB LYS 109 -3.096 13.403 5.610 834 2HB LYS 109 2HB LYS 109 -1.756 13.710 6.711 835 1HG LYS 109 1HG LYS 109 -0.980 11.406 5.216 836 2HG LYS 109 2HG LYS 109 -1.744 12.484 4.058 837 1HD LYS 109 1HD LYS 109 0.611 12.924 4.078 838 2HD LYS 109 2HD LYS 109 -0.193 14.321 4.812 839 1HE LYS 109 1HE LYS 109 0.388 13.485 7.071 840 2HE LYS 109 2HE LYS 109 1.100 12.018 6.354 841 1HZ LYS 109 1HZ LYS 109 2.091 14.781 5.991 842 2HZ LYS 109 2HZ LYS 109 2.823 13.614 6.883 843 3HZ LYS 109 3HZ LYS 109 2.717 13.450 5.259 844 HA PRO 110 HA PRO 110 -0.811 12.586 8.855 845 1HB PRO 110 1HB PRO 110 -0.394 12.850 11.523 846 2HB PRO 110 2HB PRO 110 -0.787 14.242 10.472 847 1HG PRO 110 1HG PRO 110 -2.645 12.720 12.284 848 2HG PRO 110 2HG PRO 110 -2.509 14.490 12.057 849 1HD PRO 110 1HD PRO 110 -4.377 12.897 10.782 850 2HD PRO 110 2HD PRO 110 -3.764 14.432 10.105 851 H PHE 111 H PHE 111 0.156 10.537 8.840 852 HA PHE 111 HA PHE 111 -0.886 8.500 10.721 853 1HB PHE 111 1HB PHE 111 -0.373 6.793 9.100 854 2HB PHE 111 2HB PHE 111 -1.621 7.874 8.532 855 HD1 PHE 111 1HD PHE 111 1.901 6.820 8.128 856 HD2 PHE 111 2HD PHE 111 -1.304 9.187 6.490 857 HE1 PHE 111 1HE PHE 111 3.158 7.083 6.000 858 HE2 PHE 111 2HE PHE 111 -0.036 9.428 4.367 859 HZ PHE 111 HZ PHE 111 2.189 8.363 4.135 860 H THR 112 H THR 112 0.745 7.041 11.443 861 HA THR 112 HA THR 112 3.551 7.775 11.084 862 HB THR 112 HB THR 112 3.672 7.699 13.692 863 HG1 THR 112 1HG THR 112 1.014 8.677 13.400 864 1HG2 THR 112 1HG2 THR 112 2.508 10.172 12.419 865 2HG2 THR 112 2HG2 THR 112 3.543 10.055 13.857 866 3HG2 THR 112 3HG2 THR 112 4.206 9.641 12.277 867 H ALA 113 H ALA 113 4.773 6.159 12.814 868 HA ALA 113 HA ALA 113 4.271 3.627 11.610 869 1HB ALA 113 1HB ALA 113 6.138 4.289 13.908 870 2HB ALA 113 2HB ALA 113 6.152 2.835 12.898 871 3HB ALA 113 3HB ALA 113 6.544 4.389 12.182 872 H ALA 114 H ALA 114 3.287 5.197 14.609 873 HA ALA 114 HA ALA 114 2.232 3.057 16.053 874 1HB ALA 114 1HB ALA 114 0.624 4.708 16.951 875 2HB ALA 114 2HB ALA 114 2.258 5.390 16.844 876 3HB ALA 114 3HB ALA 114 1.024 5.830 15.637 877 H THR 115 H THR 115 0.783 4.564 13.083 878 HA THR 115 HA THR 115 -1.468 2.642 13.341 879 HB THR 115 HB THR 115 -1.568 5.189 12.450 880 HG1 THR 115 1HG THR 115 -3.346 3.893 12.915 881 1HG2 THR 115 1HG2 THR 115 -0.315 4.694 10.309 882 2HG2 THR 115 2HG2 THR 115 -1.568 3.505 9.895 883 3HG2 THR 115 3HG2 THR 115 -1.999 5.210 10.054 884 H LEU 116 H LEU 116 1.569 3.149 11.533 885 HA LEU 116 HA LEU 116 1.114 1.276 9.478 886 1HB LEU 116 1HB LEU 116 3.054 2.943 9.843 887 2HB LEU 116 2HB LEU 116 3.791 1.692 10.842 888 HG LEU 116 HG LEU 116 4.747 1.797 8.630 889 1HD1 LEU 116 1HD1 LEU 116 3.193 -0.782 8.825 890 2HD1 LEU 116 2HD1 LEU 116 4.755 -0.514 8.068 891 3HD1 LEU 116 3HD1 LEU 116 4.615 -0.397 9.824 892 1HD2 LEU 116 1HD2 LEU 116 2.064 0.965 7.463 893 2HD2 LEU 116 2HD2 LEU 116 2.768 2.597 7.362 894 3HD2 LEU 116 3HD2 LEU 116 3.581 1.230 6.592 895 H GLU 117 H GLU 117 2.492 0.730 12.778 896 HA GLU 117 HA GLU 117 2.702 -2.094 12.532 897 1HB GLU 117 1HB GLU 117 2.977 -2.151 14.901 898 2HB GLU 117 2HB GLU 117 3.840 -0.768 14.272 899 1HG GLU 117 1HG GLU 117 2.144 0.760 15.047 900 2HG GLU 117 2HG GLU 117 1.124 -0.576 15.601 901 H GLU 118 H GLU 118 -0.053 -0.016 13.454 902 HA GLU 118 HA GLU 118 -1.686 -2.136 14.472 903 1HB GLU 118 1HB GLU 118 -2.050 0.363 14.809 904 2HB GLU 118 2HB GLU 118 -2.593 0.452 13.136 905 1HG GLU 118 1HG GLU 118 -4.236 -1.506 13.911 906 2HG GLU 118 2HG GLU 118 -3.913 -0.882 15.494 907 H LYS 119 H LYS 119 -1.353 -0.620 11.265 908 HA LYS 119 HA LYS 119 -3.425 -2.180 9.969 909 1HB LYS 119 1HB LYS 119 -1.170 -0.377 9.050 910 2HB LYS 119 2HB LYS 119 -2.017 -1.379 7.881 911 1HG LYS 119 1HG LYS 119 -2.886 0.950 8.073 912 2HG LYS 119 2HG LYS 119 -4.101 -0.314 8.245 913 1HD LYS 119 1HD LYS 119 -4.034 0.050 10.745 914 2HD LYS 119 2HD LYS 119 -2.931 1.407 10.445 915 1HE LYS 119 1HE LYS 119 -4.665 2.479 9.030 916 2HE LYS 119 2HE LYS 119 -5.767 1.154 9.422 917 1HZ LYS 119 1HZ LYS 119 -4.555 3.024 11.366 918 2HZ LYS 119 2HZ LYS 119 -6.128 3.023 10.860 919 3HZ LYS 119 3HZ LYS 119 -5.536 1.770 11.770 920 H LEU 120 H LEU 120 0.142 -2.535 10.223 921 HA LEU 120 HA LEU 120 0.376 -4.993 8.801 922 1HB LEU 120 1HB LEU 120 1.944 -3.792 11.110 923 2HB LEU 120 2HB LEU 120 2.316 -5.376 10.465 924 HG LEU 120 HG LEU 120 2.403 -2.807 8.862 925 1HD1 LEU 120 1HD1 LEU 120 4.196 -2.983 10.565 926 2HD1 LEU 120 2HD1 LEU 120 4.636 -4.589 9.950 927 3HD1 LEU 120 3HD1 LEU 120 4.855 -3.146 8.932 928 1HD2 LEU 120 1HD2 LEU 120 1.909 -4.522 7.308 929 2HD2 LEU 120 2HD2 LEU 120 3.646 -4.273 7.192 930 3HD2 LEU 120 3HD2 LEU 120 3.009 -5.674 8.089 931 H ASN 121 H ASN 121 -0.121 -4.447 12.340 932 HA ASN 121 HA ASN 121 -0.343 -7.142 13.044 933 1HB ASN 121 1HB ASN 121 -0.091 -5.367 14.692 934 2HB ASN 121 2HB ASN 121 -1.689 -4.720 14.285 935 1HD2 ASN 121 1HD2 ASN 121 -2.935 -5.158 16.126 936 2HD2 ASN 121 2HD2 ASN 121 -2.979 -6.732 16.892 937 H LYS 122 H LYS 122 -2.984 -4.907 12.023 938 HA LYS 122 HA LYS 122 -5.081 -6.806 12.223 939 1HB LYS 122 1HB LYS 122 -4.706 -4.327 10.549 940 2HB LYS 122 2HB LYS 122 -5.863 -5.503 9.966 941 1HG LYS 122 1HG LYS 122 -7.324 -4.345 11.213 942 2HG LYS 122 2HG LYS 122 -6.795 -5.476 12.447 943 1HD LYS 122 1HD LYS 122 -6.752 -3.318 13.478 944 2HD LYS 122 2HD LYS 122 -5.076 -3.727 13.160 945 1HE LYS 122 1HE LYS 122 -5.278 -1.488 12.403 946 2HE LYS 122 2HE LYS 122 -5.379 -2.410 10.918 947 1HZ LYS 122 1HZ LYS 122 -7.645 -1.348 12.484 948 2HZ LYS 122 2HZ LYS 122 -7.086 -0.679 11.110 949 3HZ LYS 122 3HZ LYS 122 -7.803 -2.145 11.034 950 H ILE 123 H ILE 123 -2.950 -6.181 9.331 951 HA ILE 123 HA ILE 123 -4.420 -8.273 7.984 952 HB ILE 123 HB ILE 123 -2.910 -7.838 6.074 953 1HG1 ILE 123 1HG1 ILE 123 -1.397 -6.240 8.091 954 2HG1 ILE 123 2HG1 ILE 123 -0.808 -7.249 6.798 955 1HG2 ILE 123 1HG2 ILE 123 -5.028 -6.667 6.448 956 2HG2 ILE 123 2HG2 ILE 123 -4.204 -5.425 7.423 957 3HG2 ILE 123 3HG2 ILE 123 -3.843 -5.591 5.709 958 1HD1 ILE 123 1HD1 ILE 123 -0.326 -4.856 6.492 959 2HD1 ILE 123 2HD1 ILE 123 -1.391 -5.447 5.187 960 3HD1 ILE 123 3HD1 ILE 123 -2.027 -4.454 6.522 961 H PHE 124 H PHE 124 -1.395 -8.278 9.791 962 HA PHE 124 HA PHE 124 -0.488 -10.902 9.165 963 1HB PHE 124 1HB PHE 124 -0.585 -9.344 11.759 964 2HB PHE 124 2HB PHE 124 0.241 -10.875 11.566 965 HD1 PHE 124 1HD PHE 124 1.491 -8.391 12.652 966 HD2 PHE 124 2HD PHE 124 1.375 -9.911 8.618 967 HE1 PHE 124 1HE PHE 124 3.578 -7.189 12.141 968 HE2 PHE 124 2HE PHE 124 3.422 -8.662 8.094 969 HZ PHE 124 HZ PHE 124 4.555 -7.295 9.873 970 H GLU 125 H GLU 125 -2.710 -9.813 11.795 971 HA GLU 125 HA GLU 125 -3.336 -12.465 12.549 972 1HB GLU 125 1HB GLU 125 -4.909 -9.864 12.934 973 2HB GLU 125 2HB GLU 125 -5.206 -11.329 13.845 974 1HG GLU 125 1HG GLU 125 -2.458 -10.062 13.966 975 2HG GLU 125 2HG GLU 125 -3.802 -9.302 14.813 976 H LYS 126 H LYS 126 -5.155 -10.102 10.645 977 HA LYS 126 HA LYS 126 -7.523 -11.699 10.497 978 1HB LYS 126 1HB LYS 126 -7.366 -9.216 10.584 979 2HB LYS 126 2HB LYS 126 -6.769 -9.205 8.912 980 1HG LYS 126 1HG LYS 126 -8.891 -10.234 8.149 981 2HG LYS 126 2HG LYS 126 -9.437 -10.325 9.837 982 1HD LYS 126 1HD LYS 126 -10.425 -8.382 9.181 983 2HD LYS 126 2HD LYS 126 -8.945 -7.755 9.902 984 1HE LYS 126 1HE LYS 126 -8.343 -6.761 7.976 985 2HE LYS 126 2HE LYS 126 -8.452 -8.298 7.099 986 1HZ LYS 126 1HZ LYS 126 -9.935 -6.598 6.195 987 2HZ LYS 126 2HZ LYS 126 -10.769 -7.895 6.714 988 3HZ LYS 126 3HZ LYS 126 -10.772 -6.527 7.608 989 H LEU 127 H LEU 127 -5.342 -10.555 7.815 990 HA LEU 127 HA LEU 127 -6.585 -12.327 5.924 991 1HB LEU 127 1HB LEU 127 -3.765 -11.271 5.671 992 2HB LEU 127 2HB LEU 127 -4.894 -11.699 4.407 993 HG LEU 127 HG LEU 127 -4.853 -9.204 6.132 994 1HD1 LEU 127 1HD1 LEU 127 -3.399 -9.231 4.166 995 2HD1 LEU 127 2HD1 LEU 127 -4.753 -9.698 3.138 996 3HD1 LEU 127 3HD1 LEU 127 -4.737 -8.107 3.915 997 1HD2 LEU 127 1HD2 LEU 127 -6.899 -8.437 5.018 998 2HD2 LEU 127 2HD2 LEU 127 -7.104 -10.062 4.310 999 3HD2 LEU 127 3HD2 LEU 127 -7.203 -9.829 6.061 1000 H GLY 128 H GLY 128 -3.838 -12.550 8.177 1001 1HA GLY 128 1HA GLY 128 -2.639 -14.493 8.796 1002 2HA GLY 128 2HA GLY 128 -3.247 -15.335 7.368 1003 H MET 129 H MET 129 -1.789 -12.009 7.732 1004 HA MET 129 HA MET 129 0.154 -12.712 5.570 1005 1HB MET 129 2HB MET 129 -0.322 -10.116 7.073 1006 2HB MET 129 3HB MET 129 1.030 -10.382 5.977 1007 1HG MET 129 2HG MET 129 -1.894 -10.426 5.258 1008 2HG MET 129 3HG MET 129 -0.730 -9.173 4.876 1009 1HE MET 129 1HE MET 129 -1.907 -12.836 4.195 1010 2HE MET 129 2HE MET 129 -2.799 -11.640 3.220 1011 3HE MET 129 3HE MET 129 -1.755 -12.830 2.429 Start of MODEL 20 1 1H MET 1 H MET 1 21.094 -14.823 -1.278 2 2H MET 1 2HN MET 1 19.488 -15.045 -1.499 3 3H MET 1 3HN MET 1 20.032 -14.355 -0.106 4 HA MET 1 HA MET 1 20.611 -17.081 -1.013 5 1HB MET 1 2HB MET 1 21.342 -15.590 1.511 6 2HB MET 1 3HB MET 1 21.075 -17.341 1.558 7 1HG MET 1 2HG MET 1 23.405 -16.981 1.186 8 2HG MET 1 3HG MET 1 22.699 -17.642 -0.279 9 1HE MET 1 1HE MET 1 25.368 -15.684 -2.045 10 2HE MET 1 2HE MET 1 25.363 -16.890 -0.741 11 3HE MET 1 3HE MET 1 24.260 -17.065 -2.125 12 H ALA 2 H ALA 2 18.736 -15.383 1.638 13 HA ALA 2 HA ALA 2 16.376 -16.911 0.706 14 1HB ALA 2 1HB ALA 2 15.548 -16.820 3.046 15 2HB ALA 2 2HB ALA 2 17.015 -17.787 2.910 16 3HB ALA 2 3HB ALA 2 17.118 -16.152 3.570 17 H ASP 3 H ASP 3 14.391 -15.506 1.511 18 HA ASP 3 HA ASP 3 14.777 -12.991 0.069 19 1HB ASP 3 1HB ASP 3 12.171 -13.958 1.246 20 2HB ASP 3 2HB ASP 3 12.467 -12.820 -0.077 21 H LYS 4 H LYS 4 16.119 -12.801 2.499 22 HA LYS 4 HA LYS 4 14.457 -11.946 4.706 23 1HB LYS 4 1HB LYS 4 17.427 -11.595 4.293 24 2HB LYS 4 2HB LYS 4 16.571 -11.505 5.829 25 1HG LYS 4 1HG LYS 4 16.845 -14.022 4.132 26 2HG LYS 4 2HG LYS 4 17.781 -13.599 5.554 27 1HD LYS 4 1HD LYS 4 16.268 -14.976 6.515 28 2HD LYS 4 2HD LYS 4 15.466 -13.421 6.765 29 1HE LYS 4 1HE LYS 4 14.033 -13.922 4.743 30 2HE LYS 4 2HE LYS 4 14.836 -15.493 4.627 31 1HZ LYS 4 1HZ LYS 4 12.844 -15.818 5.826 32 2HZ LYS 4 2HZ LYS 4 14.038 -15.890 6.949 33 3HZ LYS 4 3HZ LYS 4 13.114 -14.552 6.841 34 H GLU 5 H GLU 5 14.671 -10.259 2.015 35 HA GLU 5 HA GLU 5 14.303 -7.701 3.371 36 1HB GLU 5 1HB GLU 5 16.200 -7.994 0.999 37 2HB GLU 5 2HB GLU 5 15.671 -6.491 1.784 38 1HG GLU 5 1HG GLU 5 16.761 -7.244 3.899 39 2HG GLU 5 2HG GLU 5 17.399 -8.658 3.043 40 H LEU 6 H LEU 6 12.228 -8.873 2.915 41 HA LEU 6 HA LEU 6 10.898 -9.272 0.578 42 1HB LEU 6 1HB LEU 6 9.967 -9.460 2.925 43 2HB LEU 6 2HB LEU 6 9.860 -7.701 2.971 44 HG LEU 6 HG LEU 6 8.263 -7.823 0.976 45 1HD1 LEU 6 1HD1 LEU 6 8.807 -10.064 0.108 46 2HD1 LEU 6 2HD1 LEU 6 8.330 -10.785 1.669 47 3HD1 LEU 6 3HD1 LEU 6 7.124 -10.053 0.640 48 1HD2 LEU 6 1HD2 LEU 6 7.431 -9.238 3.530 49 2HD2 LEU 6 2HD2 LEU 6 7.428 -7.483 3.234 50 3HD2 LEU 6 3HD2 LEU 6 6.333 -8.534 2.331 51 H LYS 7 H LYS 7 9.996 -8.121 -1.084 52 HA LYS 7 HA LYS 7 10.838 -5.325 -1.321 53 1HB LYS 7 1HB LYS 7 10.902 -7.028 -3.254 54 2HB LYS 7 2HB LYS 7 9.140 -6.880 -3.294 55 1HG LYS 7 1HG LYS 7 9.676 -5.244 -4.807 56 2HG LYS 7 2HG LYS 7 9.676 -4.259 -3.358 57 1HD LYS 7 1HD LYS 7 11.690 -3.587 -4.158 58 2HD LYS 7 2HD LYS 7 12.294 -5.035 -3.355 59 1HE LYS 7 1HE LYS 7 12.132 -6.309 -5.473 60 2HE LYS 7 2HE LYS 7 11.365 -4.912 -6.270 61 1HZ LYS 7 1HZ LYS 7 13.333 -3.662 -5.972 62 2HZ LYS 7 2HZ LYS 7 14.102 -4.913 -5.164 63 3HZ LYS 7 3HZ LYS 7 13.768 -5.015 -6.747 64 H PHE 8 H PHE 8 9.550 -3.615 -0.912 65 HA PHE 8 HA PHE 8 6.627 -4.042 -0.417 66 1HB PHE 8 1HB PHE 8 8.743 -2.305 0.865 67 2HB PHE 8 2HB PHE 8 7.105 -1.689 0.753 68 HD1 PHE 8 1HD PHE 8 9.201 -4.418 2.253 69 HD2 PHE 8 2HD PHE 8 5.372 -2.455 2.141 70 HE1 PHE 8 1HE PHE 8 8.528 -5.540 4.348 71 HE2 PHE 8 2HE PHE 8 4.723 -3.530 4.262 72 HZ PHE 8 HZ PHE 8 6.311 -5.128 5.371 73 H LEU 9 H LEU 9 5.493 -3.310 -2.347 74 HA LEU 9 HA LEU 9 6.812 -1.243 -3.943 75 1HB LEU 9 1HB LEU 9 5.170 -3.004 -4.904 76 2HB LEU 9 2HB LEU 9 3.902 -2.116 -4.081 77 HG LEU 9 HG LEU 9 4.505 -0.062 -5.350 78 1HD1 LEU 9 1HD1 LEU 9 5.988 -0.400 -7.413 79 2HD1 LEU 9 2HD1 LEU 9 6.830 -0.320 -5.878 80 3HD1 LEU 9 3HD1 LEU 9 6.553 -1.893 -6.650 81 1HD2 LEU 9 1HD2 LEU 9 3.630 -0.774 -7.459 82 2HD2 LEU 9 2HD2 LEU 9 4.035 -2.476 -7.137 83 3HD2 LEU 9 3HD2 LEU 9 2.789 -1.631 -6.174 84 H VAL 10 H VAL 10 6.489 0.907 -3.728 85 HA VAL 10 HA VAL 10 4.248 1.877 -2.006 86 HB VAL 10 HB VAL 10 6.970 3.200 -2.137 87 1HG1 VAL 10 1HG1 VAL 10 6.171 4.383 -0.151 88 2HG1 VAL 10 2HG1 VAL 10 4.990 4.576 -1.449 89 3HG1 VAL 10 3HG1 VAL 10 4.666 3.428 -0.146 90 1HG2 VAL 10 1HG2 VAL 10 7.355 1.029 -1.090 91 2HG2 VAL 10 2HG2 VAL 10 7.356 2.279 0.151 92 3HG2 VAL 10 3HG2 VAL 10 5.929 1.231 -0.051 93 H VAL 11 H VAL 11 2.778 2.772 -3.346 94 HA VAL 11 HA VAL 11 3.723 4.632 -5.489 95 HB VAL 11 HB VAL 11 1.090 3.161 -5.795 96 1HG1 VAL 11 1HG1 VAL 11 3.035 4.366 -7.764 97 2HG1 VAL 11 2HG1 VAL 11 1.503 3.559 -8.124 98 3HG1 VAL 11 3HG1 VAL 11 1.508 5.071 -7.214 99 1HG2 VAL 11 1HG2 VAL 11 2.356 1.497 -7.192 100 2HG2 VAL 11 2HG2 VAL 11 3.860 2.080 -6.460 101 3HG2 VAL 11 3HG2 VAL 11 2.588 1.312 -5.467 102 H ASP 12 H ASP 12 3.718 5.680 -3.148 103 HA ASP 12 HA ASP 12 1.203 6.844 -2.302 104 1HB ASP 12 1HB ASP 12 2.633 8.253 -0.965 105 2HB ASP 12 2HB ASP 12 3.144 6.577 -0.776 106 H ASP 13 H ASP 13 0.769 9.174 -2.638 107 HA ASP 13 HA ASP 13 1.330 9.949 -5.414 108 1HB ASP 13 1HB ASP 13 -0.946 10.139 -4.695 109 2HB ASP 13 2HB ASP 13 -0.479 11.067 -3.257 110 H PHE 14 H PHE 14 2.014 11.176 -2.151 111 HA PHE 14 HA PHE 14 3.113 13.709 -3.189 112 1HB PHE 14 1HB PHE 14 1.488 13.519 -1.204 113 2HB PHE 14 2HB PHE 14 2.699 12.651 -0.341 114 HD1 PHE 14 1HD PHE 14 2.876 15.786 -2.471 115 HD2 PHE 14 2HD PHE 14 3.496 14.004 1.420 116 HE1 PHE 14 1HE PHE 14 3.892 17.870 -1.671 117 HE2 PHE 14 2HE PHE 14 4.504 16.130 2.208 118 HZ PHE 14 HZ PHE 14 4.714 18.066 0.673 119 H SER 15 H SER 15 5.422 13.581 -3.731 120 HA SER 15 HA SER 15 6.844 11.322 -3.306 121 1HB SER 15 1HB SER 15 7.392 13.178 -4.854 122 2HB SER 15 2HB SER 15 8.148 14.059 -3.510 123 HG SER 15 HG SER 15 9.414 12.562 -5.033 124 H THR 16 H THR 16 6.917 14.023 -0.943 125 HA THR 16 HA THR 16 8.813 13.143 0.922 126 HB THR 16 HB THR 16 6.079 14.393 1.102 127 HG1 THR 16 1HG THR 16 8.492 15.647 1.757 128 1HG2 THR 16 1HG2 THR 16 7.929 14.082 3.465 129 2HG2 THR 16 2HG2 THR 16 6.559 15.212 3.390 130 3HG2 THR 16 3HG2 THR 16 6.275 13.475 3.308 131 H MET 17 H MET 17 5.589 11.815 0.259 132 HA MET 17 HA MET 17 5.305 10.277 2.619 133 1HB MET 17 1HB MET 17 3.557 11.284 1.025 134 2HB MET 17 2HB MET 17 3.826 9.845 0.036 135 1HG MET 17 1HG MET 17 3.357 8.556 2.185 136 2HG MET 17 2HG MET 17 2.795 10.111 2.844 137 1HE MET 17 1HE MET 17 -0.567 10.675 0.991 138 2HE MET 17 2HE MET 17 0.334 11.018 2.471 139 3HE MET 17 3HE MET 17 0.977 11.547 0.890 140 H ARG 18 H ARG 18 6.964 9.628 -0.548 141 HA ARG 18 HA ARG 18 7.265 6.799 -0.190 142 1HB ARG 18 1HB ARG 18 9.176 8.921 -1.306 143 2HB ARG 18 2HB ARG 18 9.679 7.279 -1.064 144 1HG ARG 18 1HG ARG 18 9.319 7.167 -3.212 145 2HG ARG 18 2HG ARG 18 7.742 6.615 -2.639 146 1HD ARG 18 1HD ARG 18 6.810 8.838 -3.157 147 2HD ARG 18 2HD ARG 18 8.409 9.476 -3.476 148 HE ARG 18 HE ARG 18 8.299 8.751 -5.593 149 1HH1 ARG 18 2HH2 ARG 18 5.980 6.742 -3.796 150 2HH1 ARG 18 1HH2 ARG 18 5.588 5.756 -5.161 151 1HH2 ARG 18 2HH1 ARG 18 7.338 7.827 -7.496 152 2HH2 ARG 18 1HH1 ARG 18 6.254 6.492 -7.324 153 H ARG 19 H ARG 19 9.199 9.555 0.898 154 HA ARG 19 HA ARG 19 11.179 8.144 2.391 155 1HB ARG 19 1HB ARG 19 10.299 10.990 2.112 156 2HB ARG 19 2HB ARG 19 10.877 10.594 3.716 157 1HG ARG 19 1HG ARG 19 12.668 11.451 2.411 158 2HG ARG 19 2HG ARG 19 13.001 9.749 2.770 159 1HD ARG 19 1HD ARG 19 12.507 9.084 0.504 160 2HD ARG 19 2HD ARG 19 11.705 10.626 0.156 161 HE ARG 19 HE ARG 19 13.740 11.770 0.124 162 1HH1 ARG 19 2HH2 ARG 19 14.368 8.229 0.052 163 2HH1 ARG 19 1HH2 ARG 19 16.091 8.504 0.004 164 1HH2 ARG 19 2HH1 ARG 19 15.899 12.006 0.187 165 2HH2 ARG 19 1HH1 ARG 19 16.999 10.673 0.169 166 H ILE 20 H ILE 20 8.153 9.732 3.482 167 HA ILE 20 HA ILE 20 8.387 8.913 6.164 168 HB ILE 20 HB ILE 20 6.148 9.921 4.480 169 1HG1 ILE 20 1HG1 ILE 20 5.952 11.563 6.285 170 2HG1 ILE 20 2HG1 ILE 20 7.115 10.682 7.272 171 1HG2 ILE 20 1HG2 ILE 20 4.518 9.691 6.348 172 2HG2 ILE 20 2HG2 ILE 20 4.946 8.141 5.648 173 3HG2 ILE 20 3HG2 ILE 20 5.671 8.633 7.194 174 1HD1 ILE 20 1HD1 ILE 20 8.915 11.265 5.688 175 2HD1 ILE 20 2HD1 ILE 20 7.719 12.063 4.640 176 3HD1 ILE 20 3HD1 ILE 20 8.059 12.711 6.248 177 H VAL 21 H VAL 21 6.263 7.232 3.682 178 HA VAL 21 HA VAL 21 5.630 5.126 5.357 179 HB VAL 21 HB VAL 21 5.926 5.254 2.323 180 1HG1 VAL 21 1HG1 VAL 21 4.497 3.247 2.208 181 2HG1 VAL 21 2HG1 VAL 21 6.059 2.884 2.904 182 3HG1 VAL 21 3HG1 VAL 21 4.642 3.028 3.971 183 1HG2 VAL 21 1HG2 VAL 21 4.162 6.718 3.359 184 2HG2 VAL 21 2HG2 VAL 21 3.478 5.452 2.341 185 3HG2 VAL 21 3HG2 VAL 21 3.442 5.283 4.111 186 H ARG 22 H ARG 22 8.486 5.261 3.102 187 HA ARG 22 HA ARG 22 9.462 2.657 3.698 188 1HB ARG 22 1HB ARG 22 10.340 4.172 1.868 189 2HB ARG 22 2HB ARG 22 11.104 5.169 3.115 190 1HG ARG 22 1HG ARG 22 12.306 2.946 3.866 191 2HG ARG 22 2HG ARG 22 11.715 2.287 2.359 192 1HD ARG 22 1HD ARG 22 13.826 3.018 1.763 193 2HD ARG 22 2HD ARG 22 12.852 4.423 1.287 194 HE ARG 22 HE ARG 22 13.625 4.818 3.979 195 1HH1 ARG 22 2HH2 ARG 22 15.264 4.524 0.850 196 2HH1 ARG 22 1HH2 ARG 22 16.734 5.243 1.350 197 1HH2 ARG 22 2HH1 ARG 22 15.466 5.808 4.694 198 2HH2 ARG 22 1HH1 ARG 22 16.894 5.922 3.688 199 H ASN 23 H ASN 23 10.098 5.821 5.307 200 HA ASN 23 HA ASN 23 11.967 4.734 7.163 201 1HB ASN 23 1HB ASN 23 11.651 7.187 6.557 202 2HB ASN 23 2HB ASN 23 10.230 7.190 7.606 203 1HD2 ASN 23 1HD2 ASN 23 10.679 7.525 9.924 204 2HD2 ASN 23 2HD2 ASN 23 12.333 7.479 10.496 205 H LEU 24 H LEU 24 8.432 5.275 7.379 206 HA LEU 24 HA LEU 24 8.070 4.467 10.086 207 1HB LEU 24 1HB LEU 24 6.155 4.008 7.759 208 2HB LEU 24 2HB LEU 24 5.756 3.933 9.469 209 HG LEU 24 HG LEU 24 6.550 6.420 7.929 210 1HD1 LEU 24 1HD1 LEU 24 4.389 5.736 7.323 211 2HD1 LEU 24 2HD1 LEU 24 3.903 5.520 9.014 212 3HD1 LEU 24 3HD1 LEU 24 4.263 7.147 8.374 213 1HD2 LEU 24 1HD2 LEU 24 6.164 6.106 10.871 214 2HD2 LEU 24 2HD2 LEU 24 7.505 6.784 10.004 215 3HD2 LEU 24 3HD2 LEU 24 5.968 7.659 10.022 216 H LEU 25 H LEU 25 8.086 2.544 7.063 217 HA LEU 25 HA LEU 25 7.740 -0.009 8.285 218 1HB LEU 25 1HB LEU 25 8.875 1.015 5.678 219 2HB LEU 25 2HB LEU 25 9.082 -0.675 6.069 220 HG LEU 25 HG LEU 25 6.339 0.622 6.277 221 1HD1 LEU 25 1HD1 LEU 25 7.519 -0.602 3.755 222 2HD1 LEU 25 2HD1 LEU 25 5.844 -0.048 3.995 223 3HD1 LEU 25 3HD1 LEU 25 7.163 1.123 4.022 224 1HD2 LEU 25 1HD2 LEU 25 5.564 -1.680 5.845 225 2HD2 LEU 25 2HD2 LEU 25 7.236 -2.229 5.663 226 3HD2 LEU 25 3HD2 LEU 25 6.655 -1.665 7.239 227 H LYS 26 H LYS 26 10.740 1.871 7.624 228 HA LYS 26 HA LYS 26 12.518 -0.137 8.635 229 1HB LYS 26 1HB LYS 26 12.868 2.891 8.548 230 2HB LYS 26 2HB LYS 26 14.131 1.751 8.944 231 1HG LYS 26 1HG LYS 26 12.841 0.994 6.401 232 2HG LYS 26 2HG LYS 26 13.358 2.674 6.376 233 1HD LYS 26 1HD LYS 26 15.109 1.308 5.518 234 2HD LYS 26 2HD LYS 26 15.641 1.995 7.065 235 1HE LYS 26 1HE LYS 26 15.013 -0.209 8.162 236 2HE LYS 26 2HE LYS 26 14.631 -0.842 6.561 237 1HZ LYS 26 1HZ LYS 26 16.847 -1.479 7.018 238 2HZ LYS 26 2HZ LYS 26 17.017 -0.202 5.990 239 3HZ LYS 26 3HZ LYS 26 17.254 0.019 7.595 240 H GLU 27 H GLU 27 10.679 2.424 10.314 241 HA GLU 27 HA GLU 27 11.910 1.967 12.868 242 1HB GLU 27 1HB GLU 27 9.096 3.015 12.425 243 2HB GLU 27 2HB GLU 27 10.162 3.288 13.799 244 1HG GLU 27 1HG GLU 27 11.665 4.319 11.697 245 2HG GLU 27 2HG GLU 27 9.994 4.691 11.211 246 H LEU 28 H LEU 28 9.885 -0.029 11.050 247 HA LEU 28 HA LEU 28 9.161 -1.728 13.357 248 1HB LEU 28 1HB LEU 28 7.742 -1.136 10.730 249 2HB LEU 28 2HB LEU 28 7.244 -2.440 11.810 250 HG LEU 28 HG LEU 28 7.486 0.436 12.756 251 1HD1 LEU 28 1HD1 LEU 28 5.059 0.631 12.469 252 2HD1 LEU 28 2HD1 LEU 28 5.897 0.424 10.931 253 3HD1 LEU 28 3HD1 LEU 28 5.017 -0.953 11.663 254 1HD2 LEU 28 1HD2 LEU 28 7.397 -1.355 14.526 255 2HD2 LEU 28 2HD2 LEU 28 5.976 -0.328 14.557 256 3HD2 LEU 28 3HD2 LEU 28 5.887 -1.950 13.831 257 H GLY 29 H GLY 29 11.594 -1.594 11.379 258 1HA GLY 29 1HA GLY 29 13.121 -3.292 11.058 259 2HA GLY 29 2HA GLY 29 11.893 -4.474 11.477 260 H PHE 30 H PHE 30 10.681 -2.530 8.947 261 HA PHE 30 HA PHE 30 11.367 -4.672 6.989 262 1HB PHE 30 1HB PHE 30 9.142 -2.625 7.106 263 2HB PHE 30 2HB PHE 30 9.415 -3.711 5.756 264 HD1 PHE 30 1HD PHE 30 9.490 -6.302 6.338 265 HD2 PHE 30 2HD PHE 30 7.730 -3.302 8.895 266 HE1 PHE 30 1HE PHE 30 8.064 -8.032 7.398 267 HE2 PHE 30 2HE PHE 30 6.337 -5.053 9.972 268 HZ PHE 30 HZ PHE 30 6.471 -7.409 9.202 269 H ASN 31 H ASN 31 11.688 -3.891 4.684 270 HA ASN 31 HA ASN 31 12.843 -1.250 4.319 271 1HB ASN 31 1HB ASN 31 15.094 -1.791 4.206 272 2HB ASN 31 2HB ASN 31 14.585 -2.704 5.615 273 1HD2 ASN 31 1HD2 ASN 31 16.674 -2.934 3.294 274 2HD2 ASN 31 2HD2 ASN 31 16.635 -4.623 2.857 275 H ASN 32 H ASN 32 14.473 -1.947 2.060 276 HA ASN 32 HA ASN 32 14.444 -2.431 -0.117 277 1HB ASN 32 1HB ASN 32 13.807 -4.880 1.352 278 2HB ASN 32 2HB ASN 32 13.210 -4.959 -0.283 279 1HD2 ASN 32 1HD2 ASN 32 14.767 -6.443 -1.059 280 2HD2 ASN 32 2HD2 ASN 32 16.469 -6.018 -1.193 281 H VAL 33 H VAL 33 12.429 -0.695 0.520 282 HA VAL 33 HA VAL 33 10.043 -1.323 -0.828 283 HB VAL 33 HB VAL 33 9.753 1.153 -1.013 284 1HG1 VAL 33 1HG1 VAL 33 9.031 -0.042 0.990 285 2HG1 VAL 33 2HG1 VAL 33 10.640 0.118 1.725 286 3HG1 VAL 33 3HG1 VAL 33 9.629 1.552 1.411 287 1HG2 VAL 33 1HG2 VAL 33 12.097 1.830 -1.355 288 2HG2 VAL 33 2HG2 VAL 33 11.370 2.666 0.000 289 3HG2 VAL 33 3HG2 VAL 33 12.509 1.326 0.299 290 H GLU 34 H GLU 34 9.341 -0.803 -2.895 291 HA GLU 34 HA GLU 34 11.278 0.035 -4.958 292 1HB GLU 34 1HB GLU 34 10.068 -2.400 -5.163 293 2HB GLU 34 2HB GLU 34 8.703 -1.440 -5.573 294 1HG GLU 34 1HG GLU 34 9.744 -2.068 -7.639 295 2HG GLU 34 2HG GLU 34 10.021 -0.350 -7.429 296 H GLU 35 H GLU 35 9.847 1.429 -6.577 297 HA GLU 35 HA GLU 35 7.358 2.302 -5.318 298 1HB GLU 35 1HB GLU 35 9.295 4.221 -6.661 299 2HB GLU 35 2HB GLU 35 7.660 4.566 -6.147 300 1HG GLU 35 1HG GLU 35 8.596 5.335 -4.301 301 2HG GLU 35 2HG GLU 35 8.597 3.672 -3.763 302 H ALA 36 H ALA 36 5.992 3.356 -6.994 303 HA ALA 36 HA ALA 36 6.668 2.612 -9.723 304 1HB ALA 36 1HB ALA 36 3.791 2.399 -8.809 305 2HB ALA 36 2HB ALA 36 4.524 1.864 -10.307 306 3HB ALA 36 3HB ALA 36 4.882 0.985 -8.831 307 H GLU 37 H GLU 37 5.586 4.177 -11.206 308 HA GLU 37 HA GLU 37 5.468 6.856 -10.126 309 1HB GLU 37 1HB GLU 37 4.574 5.833 -12.863 310 2HB GLU 37 2HB GLU 37 4.891 7.510 -12.389 311 1HG GLU 37 1HG GLU 37 7.273 6.567 -11.715 312 2HG GLU 37 2HG GLU 37 6.856 5.242 -12.799 313 H ASP 38 H ASP 38 3.034 4.352 -10.918 314 HA ASP 38 HA ASP 38 0.863 5.736 -9.721 315 1HB ASP 38 1HB ASP 38 -0.478 6.040 -11.758 316 2HB ASP 38 2HB ASP 38 0.970 7.045 -11.792 317 H GLY 39 H GLY 39 -1.190 4.340 -10.187 318 1HA GLY 39 1HA GLY 39 -0.869 1.707 -9.635 319 2HA GLY 39 2HA GLY 39 -2.297 2.372 -10.386 320 H VAL 40 H VAL 40 -0.563 2.989 -12.987 321 HA VAL 40 HA VAL 40 -1.159 0.401 -14.235 322 HB VAL 40 HB VAL 40 0.248 2.829 -15.441 323 1HG1 VAL 40 1HG1 VAL 40 -1.226 0.492 -16.706 324 2HG1 VAL 40 2HG1 VAL 40 -0.505 1.870 -17.572 325 3HG1 VAL 40 3HG1 VAL 40 0.535 0.745 -16.696 326 1HG2 VAL 40 1HG2 VAL 40 -1.930 3.446 -16.426 327 2HG2 VAL 40 2HG2 VAL 40 -2.733 2.183 -15.469 328 3HG2 VAL 40 3HG2 VAL 40 -1.962 3.583 -14.670 329 H ASP 41 H ASP 41 1.630 2.477 -13.440 330 HA ASP 41 HA ASP 41 3.683 0.532 -14.061 331 1HB ASP 41 1HB ASP 41 4.031 3.013 -13.840 332 2HB ASP 41 2HB ASP 41 3.757 2.878 -12.118 333 H ALA 42 H ALA 42 1.614 1.076 -11.200 334 HA ALA 42 HA ALA 42 3.138 -0.464 -9.429 335 1HB ALA 42 1HB ALA 42 0.102 -0.265 -9.377 336 2HB ALA 42 2HB ALA 42 1.187 -0.493 -8.008 337 3HB ALA 42 3HB ALA 42 1.146 1.066 -8.872 338 H LEU 43 H LEU 43 0.337 -1.357 -11.461 339 HA LEU 43 HA LEU 43 0.270 -4.084 -10.743 340 1HB LEU 43 1HB LEU 43 -1.361 -2.547 -12.226 341 2HB LEU 43 2HB LEU 43 -0.452 -3.288 -13.543 342 HG LEU 43 HG LEU 43 -0.926 -5.525 -12.122 343 1HD1 LEU 43 1HD1 LEU 43 -3.057 -5.519 -10.977 344 2HD1 LEU 43 2HD1 LEU 43 -1.988 -4.317 -10.237 345 3HD1 LEU 43 3HD1 LEU 43 -3.283 -3.789 -11.320 346 1HD2 LEU 43 1HD2 LEU 43 -2.979 -5.920 -13.452 347 2HD2 LEU 43 2HD2 LEU 43 -3.034 -4.194 -13.876 348 3HD2 LEU 43 3HD2 LEU 43 -1.688 -5.205 -14.427 349 H ASN 44 H ASN 44 2.232 -2.362 -13.156 350 HA ASN 44 HA ASN 44 3.415 -4.702 -14.356 351 1HB ASN 44 1HB ASN 44 3.586 -2.586 -15.518 352 2HB ASN 44 2HB ASN 44 4.418 -1.836 -14.151 353 1HD2 ASN 44 1HD2 ASN 44 4.780 -4.547 -16.560 354 2HD2 ASN 44 2HD2 ASN 44 6.512 -4.536 -16.475 355 H LYS 45 H LYS 45 4.438 -2.650 -11.558 356 HA LYS 45 HA LYS 45 6.785 -4.203 -11.001 357 1HB LYS 45 1HB LYS 45 5.144 -2.240 -9.400 358 2HB LYS 45 2HB LYS 45 6.252 -3.314 -8.562 359 1HG LYS 45 1HG LYS 45 7.519 -1.398 -8.935 360 2HG LYS 45 2HG LYS 45 8.093 -2.556 -10.137 361 1HD LYS 45 1HD LYS 45 6.676 -1.411 -11.864 362 2HD LYS 45 2HD LYS 45 6.089 -0.324 -10.599 363 1HE LYS 45 1HE LYS 45 7.689 0.984 -11.592 364 2HE LYS 45 2HE LYS 45 8.572 0.314 -10.217 365 1HZ LYS 45 1HZ LYS 45 9.831 0.230 -12.280 366 2HZ LYS 45 2HZ LYS 45 9.574 -1.270 -11.706 367 3HZ LYS 45 3HZ LYS 45 8.681 -0.682 -13.009 368 H LEU 46 H LEU 46 3.375 -4.635 -9.874 369 HA LEU 46 HA LEU 46 3.982 -6.811 -8.116 370 1HB LEU 46 1HB LEU 46 1.444 -6.876 -9.791 371 2HB LEU 46 2HB LEU 46 1.704 -7.452 -8.146 372 HG LEU 46 HG LEU 46 1.464 -4.623 -9.097 373 1HD1 LEU 46 1HD1 LEU 46 -0.593 -5.958 -9.017 374 2HD1 LEU 46 2HD1 LEU 46 -0.324 -6.204 -7.276 375 3HD1 LEU 46 3HD1 LEU 46 -0.563 -4.562 -7.935 376 1HD2 LEU 46 1HD2 LEU 46 1.548 -3.872 -6.815 377 2HD2 LEU 46 2HD2 LEU 46 1.837 -5.530 -6.233 378 3HD2 LEU 46 3HD2 LEU 46 3.065 -4.668 -7.186 379 H GLN 47 H GLN 47 3.198 -6.769 -11.576 380 HA GLN 47 HA GLN 47 3.831 -9.583 -11.950 381 1HB GLN 47 1HB GLN 47 3.102 -7.332 -13.856 382 2HB GLN 47 2HB GLN 47 3.365 -9.015 -14.351 383 1HG GLN 47 1HG GLN 47 1.559 -9.806 -12.917 384 2HG GLN 47 2HG GLN 47 1.304 -8.191 -12.253 385 1HE2 GLN 47 1HE2 GLN 47 -1.017 -8.507 -12.928 386 2HE2 GLN 47 2HE2 GLN 47 -1.417 -8.261 -14.606 387 H ALA 48 H ALA 48 5.985 -7.780 -10.805 388 HA ALA 48 HA ALA 48 8.130 -8.740 -12.611 389 1HB ALA 48 1HB ALA 48 8.232 -6.290 -11.996 390 2HB ALA 48 2HB ALA 48 8.363 -6.772 -10.311 391 3HB ALA 48 3HB ALA 48 9.626 -7.246 -11.457 392 H GLY 49 H GLY 49 6.303 -10.344 -10.916 393 1HA GLY 49 1HA GLY 49 7.101 -12.505 -10.370 394 2HA GLY 49 2HA GLY 49 8.543 -11.823 -9.635 395 H GLY 50 H GLY 50 5.433 -10.351 -8.777 396 1HA GLY 50 1HA GLY 50 4.020 -10.670 -6.998 397 2HA GLY 50 2HA GLY 50 4.819 -12.209 -6.649 398 H TYR 51 H TYR 51 4.991 -8.704 -6.214 399 HA TYR 51 HA TYR 51 7.214 -8.721 -4.325 400 1HB TYR 51 1HB TYR 51 5.075 -6.686 -5.071 401 2HB TYR 51 2HB TYR 51 6.296 -6.392 -3.848 402 HD1 TYR 51 1HD TYR 51 7.675 -8.278 -6.735 403 HD2 TYR 51 2HD TYR 51 6.710 -4.366 -5.178 404 HE1 TYR 51 1HE TYR 51 9.254 -7.265 -8.289 405 HE2 TYR 51 2HE TYR 51 8.209 -3.348 -6.840 406 HH TYR 51 HH TYR 51 10.069 -5.220 -9.233 407 H GLY 52 H GLY 52 6.756 -7.778 -1.984 408 1HA GLY 52 1HA GLY 52 4.959 -9.636 -0.669 409 2HA GLY 52 2HA GLY 52 5.970 -8.367 0.050 410 H PHE 53 H PHE 53 4.978 -6.115 -1.387 411 HA PHE 53 HA PHE 53 2.270 -5.865 -0.198 412 1HB PHE 53 1HB PHE 53 4.862 -4.565 0.608 413 2HB PHE 53 2HB PHE 53 3.439 -3.554 0.614 414 HD1 PHE 53 1HD PHE 53 1.989 -3.512 2.433 415 HD2 PHE 53 2HD PHE 53 4.759 -6.793 2.001 416 HE1 PHE 53 1HE PHE 53 1.511 -4.215 4.723 417 HE2 PHE 53 2HE PHE 53 4.204 -7.566 4.278 418 HZ PHE 53 HZ PHE 53 2.592 -6.299 5.662 419 H VAL 54 H VAL 54 1.054 -4.108 -0.831 420 HA VAL 54 HA VAL 54 2.036 -2.569 -3.175 421 HB VAL 54 HB VAL 54 -0.811 -3.607 -2.896 422 1HG1 VAL 54 1HG1 VAL 54 0.968 -2.663 -5.158 423 2HG1 VAL 54 2HG1 VAL 54 -0.513 -3.552 -5.467 424 3HG1 VAL 54 3HG1 VAL 54 -0.596 -1.989 -4.635 425 1HG2 VAL 54 1HG2 VAL 54 0.440 -5.628 -2.752 426 2HG2 VAL 54 2HG2 VAL 54 -0.285 -5.456 -4.346 427 3HG2 VAL 54 3HG2 VAL 54 1.471 -5.152 -4.115 428 H ILE 55 H ILE 55 2.570 -0.973 -1.434 429 HA ILE 55 HA ILE 55 0.238 0.080 0.094 430 HB ILE 55 HB ILE 55 3.278 0.527 0.157 431 1HG1 ILE 55 1HG1 ILE 55 1.349 -0.155 2.437 432 2HG1 ILE 55 2HG1 ILE 55 1.967 -1.417 1.381 433 1HG2 ILE 55 1HG2 ILE 55 2.618 2.109 2.123 434 2HG2 ILE 55 2HG2 ILE 55 2.359 2.741 0.484 435 3HG2 ILE 55 3HG2 ILE 55 0.998 2.102 1.423 436 1HD1 ILE 55 1HD1 ILE 55 3.412 -1.469 3.229 437 2HD1 ILE 55 2HD1 ILE 55 4.324 -0.608 1.979 438 3HD1 ILE 55 3HD1 ILE 55 3.560 0.293 3.305 439 H SER 56 H SER 56 -0.854 1.955 -0.810 440 HA SER 56 HA SER 56 0.581 3.568 -2.788 441 1HB SER 56 1HB SER 56 -1.990 2.123 -3.563 442 2HB SER 56 2HB SER 56 -1.045 3.229 -4.570 443 HG SER 56 HG SER 56 0.627 1.394 -3.721 444 H ASP 57 H ASP 57 -0.663 5.519 -3.383 445 HA ASP 57 HA ASP 57 -2.361 6.497 -1.183 446 1HB ASP 57 1HB ASP 57 -0.627 7.866 -2.558 447 2HB ASP 57 2HB ASP 57 -1.877 7.936 -3.803 448 H TRP 58 H TRP 58 -4.382 7.695 -2.057 449 HA TRP 58 HA TRP 58 -6.066 5.890 -3.650 450 1HB TRP 58 1HB TRP 58 -7.039 7.297 -1.794 451 2HB TRP 58 2HB TRP 58 -6.591 8.751 -2.688 452 HD1 TRP 58 HD TRP 58 -7.644 8.635 -5.422 453 HE1 TRP 58 1HE TRP 58 -9.665 7.548 -6.356 454 HE3 TRP 58 3HE TRP 58 -9.114 6.100 -1.245 455 HZ2 TRP 58 2HZ TRP 58 -11.946 6.007 -5.340 456 HZ3 TRP 58 3HZ TRP 58 -11.164 4.688 -1.303 457 HH2 TRP 58 HH TRP 58 -12.599 4.711 -3.367 458 H ASN 59 H ASN 59 -4.563 9.168 -3.846 459 HA ASN 59 HA ASN 59 -5.839 9.498 -6.413 460 1HB ASN 59 1HB ASN 59 -5.627 11.274 -4.648 461 2HB ASN 59 2HB ASN 59 -3.908 11.415 -5.056 462 1HD2 ASN 59 1HD2 ASN 59 -4.284 13.665 -5.777 463 2HD2 ASN 59 2HD2 ASN 59 -5.218 14.019 -7.222 464 H MET 60 H MET 60 -4.730 7.702 -7.554 465 HA MET 60 HA MET 60 -2.036 8.442 -8.604 466 1HB MET 60 1HB MET 60 -3.754 5.964 -8.612 467 2HB MET 60 2HB MET 60 -2.653 6.218 -9.965 468 1HG MET 60 1HG MET 60 -1.686 4.820 -8.221 469 2HG MET 60 2HG MET 60 -0.749 6.278 -8.531 470 1HE MET 60 1HE MET 60 -0.791 8.467 -6.791 471 2HE MET 60 2HE MET 60 -0.184 7.812 -5.256 472 3HE MET 60 3HE MET 60 0.496 7.236 -6.778 473 HA PRO 61 HA PRO 61 -4.135 9.765 -12.433 474 1HB PRO 61 1HB PRO 61 -2.126 9.555 -14.251 475 2HB PRO 61 2HB PRO 61 -2.114 10.837 -13.001 476 1HG PRO 61 1HG PRO 61 -0.682 8.183 -12.961 477 2HG PRO 61 2HG PRO 61 -0.005 9.802 -12.599 478 1HD PRO 61 1HD PRO 61 -0.874 8.101 -10.613 479 2HD PRO 61 2HD PRO 61 -1.041 9.873 -10.482 480 H ASN 62 H ASN 62 -4.852 8.703 -14.331 481 HA ASN 62 HA ASN 62 -5.818 7.140 -15.462 482 1HB ASN 62 1HB ASN 62 -3.032 6.871 -15.877 483 2HB ASN 62 2HB ASN 62 -3.659 5.220 -15.831 484 1HD2 ASN 62 1HD2 ASN 62 -5.678 4.754 -17.222 485 2HD2 ASN 62 2HD2 ASN 62 -5.832 5.715 -18.683 486 H MET 63 H MET 63 -3.786 4.932 -13.516 487 HA MET 63 HA MET 63 -6.239 3.380 -12.842 488 1HB MET 63 1HB MET 63 -4.433 2.029 -13.810 489 2HB MET 63 2HB MET 63 -3.338 2.571 -12.533 490 1HG MET 63 1HG MET 63 -4.173 1.028 -11.100 491 2HG MET 63 2HG MET 63 -5.801 1.601 -11.350 492 1HE MET 63 1HE MET 63 -3.006 -0.462 -13.248 493 2HE MET 63 2HE MET 63 -3.400 -1.285 -11.722 494 3HE MET 63 3HE MET 63 -3.805 -2.049 -13.271 495 H ASP 64 H ASP 64 -6.854 5.219 -11.666 496 HA ASP 64 HA ASP 64 -5.782 6.327 -9.323 497 1HB ASP 64 1HB ASP 64 -7.848 6.987 -10.512 498 2HB ASP 64 2HB ASP 64 -8.598 5.480 -9.998 499 H GLY 65 H GLY 65 -6.031 5.663 -7.046 500 1HA GLY 65 1HA GLY 65 -4.880 3.174 -6.765 501 2HA GLY 65 2HA GLY 65 -5.486 4.167 -5.438 502 H LEU 66 H LEU 66 -8.325 3.939 -6.483 503 HA LEU 66 HA LEU 66 -8.942 1.406 -5.178 504 1HB LEU 66 1HB LEU 66 -10.336 3.816 -5.490 505 2HB LEU 66 2HB LEU 66 -11.188 2.737 -6.565 506 HG LEU 66 HG LEU 66 -12.194 2.797 -4.410 507 1HD1 LEU 66 1HD1 LEU 66 -12.213 0.727 -5.770 508 2HD1 LEU 66 2HD1 LEU 66 -10.946 0.059 -4.737 509 3HD1 LEU 66 3HD1 LEU 66 -12.524 0.506 -4.028 510 1HD2 LEU 66 1HD2 LEU 66 -9.888 3.188 -3.278 511 2HD2 LEU 66 2HD2 LEU 66 -11.153 2.327 -2.397 512 3HD2 LEU 66 3HD2 LEU 66 -9.797 1.441 -3.139 513 H GLU 67 H GLU 67 -8.629 2.543 -8.515 514 HA GLU 67 HA GLU 67 -9.888 0.183 -9.686 515 1HB GLU 67 1HB GLU 67 -7.835 2.035 -10.951 516 2HB GLU 67 2HB GLU 67 -8.890 0.909 -11.778 517 1HG GLU 67 1HG GLU 67 -9.737 3.435 -10.308 518 2HG GLU 67 2HG GLU 67 -9.504 3.276 -12.033 519 H LEU 68 H LEU 68 -6.585 1.235 -8.750 520 HA LEU 68 HA LEU 68 -5.183 -1.068 -9.651 521 1HB LEU 68 1HB LEU 68 -4.026 0.948 -8.831 522 2HB LEU 68 2HB LEU 68 -4.653 0.673 -7.213 523 HG LEU 68 HG LEU 68 -3.386 -1.451 -7.052 524 1HD1 LEU 68 1HD1 LEU 68 -1.529 -1.871 -8.720 525 2HD1 LEU 68 2HD1 LEU 68 -3.134 -2.115 -9.403 526 3HD1 LEU 68 3HD1 LEU 68 -2.244 -0.628 -9.757 527 1HD2 LEU 68 1HD2 LEU 68 -2.457 0.598 -6.149 528 2HD2 LEU 68 2HD2 LEU 68 -1.167 -0.402 -6.803 529 3HD2 LEU 68 3HD2 LEU 68 -1.740 1.021 -7.711 530 H LEU 69 H LEU 69 -6.682 -0.445 -6.438 531 HA LEU 69 HA LEU 69 -6.319 -2.985 -5.299 532 1HB LEU 69 1HB LEU 69 -7.069 -1.366 -3.846 533 2HB LEU 69 2HB LEU 69 -8.318 -0.781 -4.938 534 HG LEU 69 HG LEU 69 -9.797 -2.572 -4.437 535 1HD1 LEU 69 1HD1 LEU 69 -7.975 -3.707 -2.325 536 2HD1 LEU 69 2HD1 LEU 69 -9.458 -4.388 -2.990 537 3HD1 LEU 69 3HD1 LEU 69 -7.980 -4.405 -3.953 538 1HD2 LEU 69 1HD2 LEU 69 -9.864 -0.728 -2.818 539 2HD2 LEU 69 2HD2 LEU 69 -10.025 -2.226 -1.905 540 3HD2 LEU 69 3HD2 LEU 69 -8.466 -1.377 -1.971 541 H LYS 70 H LYS 70 -9.182 -1.847 -7.200 542 HA LYS 70 HA LYS 70 -10.460 -4.405 -7.024 543 1HB LYS 70 1HB LYS 70 -10.815 -2.120 -8.991 544 2HB LYS 70 2HB LYS 70 -11.840 -3.562 -8.964 545 1HG LYS 70 1HG LYS 70 -12.613 -3.096 -6.716 546 2HG LYS 70 2HG LYS 70 -11.485 -1.754 -6.533 547 1HD LYS 70 1HD LYS 70 -12.569 -0.495 -8.300 548 2HD LYS 70 2HD LYS 70 -13.671 -1.830 -8.667 549 1HE LYS 70 1HE LYS 70 -14.883 -1.585 -6.645 550 2HE LYS 70 2HE LYS 70 -13.599 -0.637 -5.893 551 1HZ LYS 70 1HZ LYS 70 -15.465 0.244 -7.986 552 2HZ LYS 70 2HZ LYS 70 -15.299 0.852 -6.488 553 3HZ LYS 70 3HZ LYS 70 -14.101 1.117 -7.601 554 H THR 71 H THR 71 -8.067 -3.228 -9.360 555 HA THR 71 HA THR 71 -8.280 -5.364 -11.257 556 HB THR 71 HB THR 71 -5.854 -3.698 -10.471 557 HG1 THR 71 1HG THR 71 -7.492 -2.350 -11.086 558 1HG2 THR 71 1HG2 THR 71 -5.150 -4.122 -12.807 559 2HG2 THR 71 2HG2 THR 71 -5.225 -5.623 -11.867 560 3HG2 THR 71 3HG2 THR 71 -6.510 -5.233 -13.021 561 H ILE 72 H ILE 72 -6.110 -4.872 -8.437 562 HA ILE 72 HA ILE 72 -4.773 -7.368 -8.536 563 HB ILE 72 HB ILE 72 -5.346 -5.246 -6.413 564 1HG1 ILE 72 1HG1 ILE 72 -2.648 -6.129 -7.576 565 2HG1 ILE 72 2HG1 ILE 72 -3.660 -4.989 -8.448 566 1HG2 ILE 72 1HG2 ILE 72 -3.550 -7.673 -6.066 567 2HG2 ILE 72 2HG2 ILE 72 -3.626 -6.326 -4.943 568 3HG2 ILE 72 3HG2 ILE 72 -5.030 -7.361 -5.132 569 1HD1 ILE 72 1HD1 ILE 72 -2.441 -4.600 -5.712 570 2HD1 ILE 72 2HD1 ILE 72 -2.269 -3.589 -7.156 571 3HD1 ILE 72 3HD1 ILE 72 -3.790 -3.595 -6.282 572 H ARG 73 H ARG 73 -7.695 -6.293 -6.790 573 HA ARG 73 HA ARG 73 -8.140 -8.500 -5.189 574 1HB ARG 73 1HB ARG 73 -9.269 -6.209 -5.128 575 2HB ARG 73 2HB ARG 73 -10.266 -6.726 -6.483 576 1HG ARG 73 1HG ARG 73 -11.543 -6.934 -4.477 577 2HG ARG 73 2HG ARG 73 -11.197 -8.559 -5.034 578 1HD ARG 73 1HD ARG 73 -9.034 -7.999 -3.325 579 2HD ARG 73 2HD ARG 73 -10.373 -7.158 -2.548 580 HE ARG 73 HE ARG 73 -11.330 -9.713 -3.202 581 1HH1 ARG 73 2HH2 ARG 73 -8.660 -8.441 -1.202 582 2HH1 ARG 73 1HH2 ARG 73 -8.757 -9.723 -0.056 583 1HH2 ARG 73 2HH1 ARG 73 -11.100 -11.584 -1.952 584 2HH2 ARG 73 1HH1 ARG 73 -10.195 -11.581 -0.482 585 H ALA 74 H ALA 74 -8.737 -8.331 -8.657 586 HA ALA 74 HA ALA 74 -10.564 -10.645 -8.558 587 1HB ALA 74 1HB ALA 74 -11.023 -8.855 -10.160 588 2HB ALA 74 2HB ALA 74 -9.419 -9.066 -10.896 589 3HB ALA 74 3HB ALA 74 -10.633 -10.358 -11.007 590 H ASP 75 H ASP 75 -7.078 -10.149 -8.764 591 HA ASP 75 HA ASP 75 -6.558 -12.367 -10.573 592 1HB ASP 75 1HB ASP 75 -5.073 -10.365 -10.292 593 2HB ASP 75 2HB ASP 75 -4.726 -10.915 -8.648 594 H GLY 76 H GLY 76 -6.087 -14.523 -10.034 595 1HA GLY 76 1HA GLY 76 -7.145 -15.514 -7.586 596 2HA GLY 76 2HA GLY 76 -6.267 -16.432 -8.811 597 H ALA 77 H ALA 77 -3.989 -14.259 -8.200 598 HA ALA 77 HA ALA 77 -2.956 -15.498 -5.682 599 1HB ALA 77 1HB ALA 77 -1.385 -14.209 -7.963 600 2HB ALA 77 2HB ALA 77 -0.721 -14.752 -6.415 601 3HB ALA 77 3HB ALA 77 -1.383 -15.938 -7.539 602 H MET 78 H MET 78 -2.945 -12.483 -7.657 603 HA MET 78 HA MET 78 -1.939 -11.091 -5.407 604 1HB MET 78 1HB MET 78 -3.075 -9.793 -7.904 605 2HB MET 78 2HB MET 78 -2.019 -9.073 -6.709 606 1HG MET 78 1HG MET 78 -0.307 -10.846 -7.171 607 2HG MET 78 2HG MET 78 -1.306 -11.407 -8.516 608 1HE MET 78 1HE MET 78 0.818 -11.269 -9.990 609 2HE MET 78 2HE MET 78 1.761 -9.796 -10.283 610 3HE MET 78 3HE MET 78 1.809 -10.579 -8.688 611 H SER 79 H SER 79 -5.176 -11.877 -6.000 612 HA SER 79 HA SER 79 -6.433 -9.783 -4.534 613 1HB SER 79 1HB SER 79 -7.549 -11.605 -5.836 614 2HB SER 79 2HB SER 79 -7.165 -12.741 -4.529 615 HG SER 79 HG SER 79 -9.140 -10.961 -4.838 616 H ALA 80 H ALA 80 -4.308 -12.397 -3.455 617 HA ALA 80 HA ALA 80 -4.861 -12.135 -0.625 618 1HB ALA 80 1HB ALA 80 -3.943 -14.209 -1.684 619 2HB ALA 80 2HB ALA 80 -2.471 -13.311 -2.124 620 3HB ALA 80 3HB ALA 80 -2.854 -13.575 -0.430 621 H LEU 81 H LEU 81 -3.249 -9.974 -2.773 622 HA LEU 81 HA LEU 81 -0.931 -9.428 -1.181 623 1HB LEU 81 1HB LEU 81 -2.321 -7.960 -3.452 624 2HB LEU 81 2HB LEU 81 -1.107 -7.142 -2.544 625 HG LEU 81 HG LEU 81 -0.601 -9.789 -3.944 626 1HD1 LEU 81 1HD1 LEU 81 0.176 -8.695 -5.816 627 2HD1 LEU 81 2HD1 LEU 81 -1.011 -7.471 -5.318 628 3HD1 LEU 81 3HD1 LEU 81 0.710 -7.287 -4.944 629 1HD2 LEU 81 1HD2 LEU 81 0.992 -9.449 -2.097 630 2HD2 LEU 81 2HD2 LEU 81 1.815 -9.133 -3.619 631 3HD2 LEU 81 3HD2 LEU 81 1.288 -7.780 -2.601 632 HA PRO 82 HA PRO 82 -2.852 -6.420 1.572 633 1HB PRO 82 1HB PRO 82 -0.654 -5.307 2.712 634 2HB PRO 82 2HB PRO 82 -1.290 -6.927 3.141 635 1HG PRO 82 1HG PRO 82 0.970 -6.242 1.303 636 2HG PRO 82 2HG PRO 82 0.915 -7.535 2.529 637 1HD PRO 82 1HD PRO 82 0.451 -7.934 -0.175 638 2HD PRO 82 2HD PRO 82 -0.284 -8.950 1.097 639 H VAL 83 H VAL 83 -3.745 -5.362 -0.143 640 HA VAL 83 HA VAL 83 -2.445 -3.022 -1.372 641 HB VAL 83 HB VAL 83 -4.916 -2.606 -2.083 642 1HG1 VAL 83 1HG1 VAL 83 -4.588 -4.073 -4.037 643 2HG1 VAL 83 2HG1 VAL 83 -3.143 -3.160 -3.617 644 3HG1 VAL 83 3HG1 VAL 83 -3.251 -4.889 -3.188 645 1HG2 VAL 83 1HG2 VAL 83 -5.100 -5.576 -1.367 646 2HG2 VAL 83 2HG2 VAL 83 -6.120 -4.252 -0.768 647 3HG2 VAL 83 3HG2 VAL 83 -6.155 -4.761 -2.475 648 H LEU 84 H LEU 84 -1.782 -1.896 0.331 649 HA LEU 84 HA LEU 84 -3.741 -1.085 2.421 650 1HB LEU 84 1HB LEU 84 -1.586 -2.016 3.200 651 2HB LEU 84 2HB LEU 84 -0.727 -0.781 2.275 652 HG LEU 84 HG LEU 84 -1.647 0.997 3.676 653 1HD1 LEU 84 1HD1 LEU 84 -3.847 0.276 4.212 654 2HD1 LEU 84 2HD1 LEU 84 -3.247 -1.204 5.017 655 3HD1 LEU 84 3HD1 LEU 84 -2.973 0.402 5.731 656 1HD2 LEU 84 1HD2 LEU 84 -0.604 0.368 5.834 657 2HD2 LEU 84 2HD2 LEU 84 -0.599 -1.330 5.317 658 3HD2 LEU 84 3HD2 LEU 84 0.390 -0.132 4.463 659 H MET 85 H MET 85 -4.750 0.806 2.089 660 HA MET 85 HA MET 85 -3.745 2.639 0.012 661 1HB MET 85 1HB MET 85 -6.392 2.538 1.482 662 2HB MET 85 2HB MET 85 -6.020 3.566 0.104 663 1HG MET 85 1HG MET 85 -5.727 0.548 -0.175 664 2HG MET 85 2HG MET 85 -7.316 1.237 -0.110 665 1HE MET 85 1HE MET 85 -3.887 2.051 -2.102 666 2HE MET 85 2HE MET 85 -4.602 2.748 -3.563 667 3HE MET 85 3HE MET 85 -4.776 3.584 -2.010 668 H VAL 86 H VAL 86 -2.626 4.434 0.609 669 HA VAL 86 HA VAL 86 -2.658 5.388 3.429 670 HB VAL 86 HB VAL 86 -0.271 4.832 1.595 671 1HG1 VAL 86 1HG1 VAL 86 1.144 5.406 3.538 672 2HG1 VAL 86 2HG1 VAL 86 0.205 6.783 2.981 673 3HG1 VAL 86 3HG1 VAL 86 -0.296 5.909 4.450 674 1HG2 VAL 86 1HG2 VAL 86 -1.185 3.416 4.120 675 2HG2 VAL 86 2HG2 VAL 86 -1.032 2.754 2.470 676 3HG2 VAL 86 3HG2 VAL 86 0.413 3.213 3.377 677 H THR 87 H THR 87 -3.746 7.356 3.124 678 HA THR 87 HA THR 87 -2.593 9.188 1.098 679 HB THR 87 HB THR 87 -4.417 7.921 0.049 680 HG1 THR 87 1HG THR 87 -4.373 9.750 -0.860 681 1HG2 THR 87 1HG2 THR 87 -6.779 8.296 0.759 682 2HG2 THR 87 2HG2 THR 87 -5.845 7.317 1.893 683 3HG2 THR 87 3HG2 THR 87 -6.182 9.012 2.270 684 H ALA 88 H ALA 88 -4.154 11.269 1.350 685 HA ALA 88 HA ALA 88 -4.375 12.012 4.241 686 1HB ALA 88 1HB ALA 88 -4.352 14.344 3.397 687 2HB ALA 88 2HB ALA 88 -2.831 13.480 3.057 688 3HB ALA 88 3HB ALA 88 -4.024 13.744 1.767 689 H GLU 89 H GLU 89 -6.103 11.177 1.352 690 HA GLU 89 HA GLU 89 -8.442 12.823 1.858 691 1HB GLU 89 1HB GLU 89 -7.929 10.484 -0.024 692 2HB GLU 89 2HB GLU 89 -9.405 11.450 -0.002 693 1HG GLU 89 1HG GLU 89 -6.964 13.112 -0.235 694 2HG GLU 89 2HG GLU 89 -7.090 11.928 -1.525 695 H ALA 90 H ALA 90 -9.469 12.361 3.757 696 HA ALA 90 HA ALA 90 -10.037 9.639 4.729 697 1HB ALA 90 1HB ALA 90 -10.164 11.421 6.337 698 2HB ALA 90 2HB ALA 90 -11.279 12.357 5.338 699 3HB ALA 90 3HB ALA 90 -11.797 10.815 6.067 700 H LYS 91 H LYS 91 -12.224 12.148 3.488 701 HA LYS 91 HA LYS 91 -14.290 11.974 2.530 702 1HB LYS 91 1HB LYS 91 -12.819 12.195 0.608 703 2HB LYS 91 2HB LYS 91 -12.555 10.465 0.560 704 1HG LYS 91 1HG LYS 91 -14.117 10.625 -1.103 705 2HG LYS 91 2HG LYS 91 -15.206 10.379 0.235 706 1HD LYS 91 1HD LYS 91 -16.212 12.153 -0.784 707 2HD LYS 91 2HD LYS 91 -15.237 12.991 0.419 708 1HE LYS 91 1HE LYS 91 -15.175 14.109 -1.772 709 2HE LYS 91 2HE LYS 91 -13.565 13.570 -1.289 710 1HZ LYS 91 1HZ LYS 91 -14.186 13.131 -3.652 711 2HZ LYS 91 2HZ LYS 91 -13.662 11.834 -2.833 712 3HZ LYS 91 3HZ LYS 91 -15.304 12.062 -3.141 713 H LYS 92 H LYS 92 -15.366 10.791 4.156 714 HA LYS 92 HA LYS 92 -15.811 8.293 4.736 715 1HB LYS 92 1HB LYS 92 -18.317 8.637 4.615 716 2HB LYS 92 2HB LYS 92 -17.400 9.805 5.554 717 1HG LYS 92 1HG LYS 92 -18.060 10.554 2.700 718 2HG LYS 92 2HG LYS 92 -19.376 10.451 3.853 719 1HD LYS 92 1HD LYS 92 -18.231 12.060 5.340 720 2HD LYS 92 2HD LYS 92 -16.916 12.232 4.152 721 1HE LYS 92 1HE LYS 92 -18.383 13.167 2.500 722 2HE LYS 92 2HE LYS 92 -19.812 12.594 3.369 723 1HZ LYS 92 1HZ LYS 92 -19.631 14.901 3.719 724 2HZ LYS 92 2HZ LYS 92 -19.260 14.202 5.139 725 3HZ LYS 92 3HZ LYS 92 -18.059 14.818 4.173 726 H GLU 93 H GLU 93 -17.341 9.364 1.749 727 HA GLU 93 HA GLU 93 -18.310 6.989 0.669 728 1HB GLU 93 1HB GLU 93 -18.574 9.447 0.035 729 2HB GLU 93 2HB GLU 93 -17.082 9.304 -0.880 730 1HG GLU 93 1HG GLU 93 -18.046 7.666 -2.350 731 2HG GLU 93 2HG GLU 93 -19.478 7.469 -1.316 732 H ASN 94 H ASN 94 -14.960 8.211 0.442 733 HA ASN 94 HA ASN 94 -14.060 6.139 -1.429 734 1HB ASN 94 1HB ASN 94 -12.683 8.329 0.172 735 2HB ASN 94 2HB ASN 94 -11.778 7.073 -0.564 736 1HD2 ASN 94 1HD2 ASN 94 -14.284 7.476 -2.846 737 2HD2 ASN 94 2HD2 ASN 94 -13.399 8.602 -3.827 738 H ILE 95 H ILE 95 -13.967 6.789 2.122 739 HA ILE 95 HA ILE 95 -12.420 4.481 2.771 740 HB ILE 95 HB ILE 95 -14.458 6.119 4.328 741 1HG1 ILE 95 1HG1 ILE 95 -11.602 5.595 5.143 742 2HG1 ILE 95 2HG1 ILE 95 -11.880 6.627 3.742 743 1HG2 ILE 95 1HG2 ILE 95 -13.034 3.593 5.272 744 2HG2 ILE 95 2HG2 ILE 95 -13.806 4.774 6.356 745 3HG2 ILE 95 3HG2 ILE 95 -14.785 3.863 5.205 746 1HD1 ILE 95 1HD1 ILE 95 -13.066 7.164 6.482 747 2HD1 ILE 95 2HD1 ILE 95 -11.652 7.969 5.766 748 3HD1 ILE 95 3HD1 ILE 95 -13.248 8.169 5.029 749 H ILE 96 H ILE 96 -16.116 4.831 2.568 750 HA ILE 96 HA ILE 96 -16.569 2.106 2.663 751 HB ILE 96 HB ILE 96 -18.134 4.136 1.190 752 1HG1 ILE 96 1HG1 ILE 96 -19.006 3.476 3.937 753 2HG1 ILE 96 2HG1 ILE 96 -17.544 4.411 3.884 754 1HG2 ILE 96 1HG2 ILE 96 -19.010 1.483 2.280 755 2HG2 ILE 96 2HG2 ILE 96 -20.100 2.762 1.656 756 3HG2 ILE 96 3HG2 ILE 96 -18.926 2.008 0.578 757 1HD1 ILE 96 1HD1 ILE 96 -20.163 5.150 2.598 758 2HD1 ILE 96 2HD1 ILE 96 -19.323 5.929 3.988 759 3HD1 ILE 96 3HD1 ILE 96 -18.639 6.021 2.377 760 H ALA 97 H ALA 97 -15.766 3.983 -0.345 761 HA ALA 97 HA ALA 97 -16.178 1.810 -2.105 762 1HB ALA 97 1HB ALA 97 -14.460 2.932 -3.553 763 2HB ALA 97 2HB ALA 97 -15.685 4.067 -2.947 764 3HB ALA 97 3HB ALA 97 -14.087 3.997 -2.188 765 H ALA 98 H ALA 98 -13.249 2.691 -0.253 766 HA ALA 98 HA ALA 98 -11.619 0.533 -1.152 767 1HB ALA 98 1HB ALA 98 -10.205 1.174 0.760 768 2HB ALA 98 2HB ALA 98 -10.775 2.608 -0.106 769 3HB ALA 98 3HB ALA 98 -11.531 2.169 1.425 770 H ALA 99 H ALA 99 -13.813 0.831 1.708 771 HA ALA 99 HA ALA 99 -13.202 -1.774 2.709 772 1HB ALA 99 1HB ALA 99 -14.244 0.063 4.048 773 2HB ALA 99 2HB ALA 99 -15.719 -0.065 3.066 774 3HB ALA 99 3HB ALA 99 -15.203 -1.420 4.092 775 H GLN 100 H GLN 100 -15.658 -0.645 0.403 776 HA GLN 100 HA GLN 100 -17.074 -3.132 0.153 777 1HB GLN 100 1HB GLN 100 -16.886 -0.531 -1.427 778 2HB GLN 100 2HB GLN 100 -17.733 -1.906 -2.107 779 1HG GLN 100 1HG GLN 100 -18.370 -0.591 0.557 780 2HG GLN 100 2HG GLN 100 -19.261 -0.406 -0.953 781 1HE2 GLN 100 1HE2 GLN 100 -20.120 -1.555 1.764 782 2HE2 GLN 100 2HE2 GLN 100 -20.532 -3.238 1.451 783 H ALA 101 H ALA 101 -14.421 -1.608 -1.740 784 HA ALA 101 HA ALA 101 -14.043 -3.894 -3.442 785 1HB ALA 101 1HB ALA 101 -11.946 -2.768 -4.037 786 2HB ALA 101 2HB ALA 101 -13.318 -1.650 -4.047 787 3HB ALA 101 3HB ALA 101 -12.175 -1.619 -2.691 788 H GLY 102 H GLY 102 -13.305 -3.464 -0.104 789 1HA GLY 102 1HA GLY 102 -12.489 -5.043 1.364 790 2HA GLY 102 2HA GLY 102 -12.185 -6.130 -0.001 791 H ALA 103 H ALA 103 -10.901 -2.812 0.478 792 HA ALA 103 HA ALA 103 -8.238 -3.571 -0.123 793 1HB ALA 103 1HB ALA 103 -9.402 -1.173 0.003 794 2HB ALA 103 2HB ALA 103 -8.768 -1.184 1.643 795 3HB ALA 103 3HB ALA 103 -7.659 -1.376 0.261 796 H SER 104 H SER 104 -6.361 -3.750 1.240 797 HA SER 104 HA SER 104 -6.886 -5.366 3.564 798 1HB SER 104 1HB SER 104 -4.210 -4.359 2.567 799 2HB SER 104 2HB SER 104 -4.604 -5.871 3.407 800 HG SER 104 HG SER 104 -5.973 -6.322 1.495 801 H GLY 105 H GLY 105 -6.358 -1.963 3.037 802 1HA GLY 105 1HA GLY 105 -7.336 -1.479 5.521 803 2HA GLY 105 2HA GLY 105 -5.580 -1.232 5.708 804 H TYR 106 H TYR 106 -7.121 0.877 6.162 805 HA TYR 106 HA TYR 106 -6.608 2.659 3.857 806 1HB TYR 106 1HB TYR 106 -9.104 1.975 4.292 807 2HB TYR 106 2HB TYR 106 -8.988 2.991 5.716 808 HD1 TYR 106 1HD TYR 106 -8.728 5.487 5.427 809 HD2 TYR 106 2HD TYR 106 -9.090 2.842 2.045 810 HE1 TYR 106 1HE TYR 106 -9.263 7.427 3.932 811 HE2 TYR 106 2HE TYR 106 -9.672 4.764 0.608 812 HH TYR 106 HH TYR 106 -9.538 8.139 1.763 813 H VAL 107 H VAL 107 -5.390 4.382 4.512 814 HA VAL 107 HA VAL 107 -5.122 5.035 7.390 815 HB VAL 107 HB VAL 107 -2.919 4.524 5.340 816 1HG1 VAL 107 1HG1 VAL 107 -1.315 5.180 7.101 817 2HG1 VAL 107 2HG1 VAL 107 -2.331 6.533 6.608 818 3HG1 VAL 107 3HG1 VAL 107 -2.672 5.690 8.138 819 1HG2 VAL 107 1HG2 VAL 107 -3.699 2.514 6.479 820 2HG2 VAL 107 2HG2 VAL 107 -2.066 2.936 7.015 821 3HG2 VAL 107 3HG2 VAL 107 -3.458 3.295 8.066 822 H VAL 108 H VAL 108 -5.107 7.204 7.751 823 HA VAL 108 HA VAL 108 -5.123 8.994 5.394 824 HB VAL 108 HB VAL 108 -6.958 9.286 7.804 825 1HG1 VAL 108 1HG1 VAL 108 -6.962 10.597 5.050 826 2HG1 VAL 108 2HG1 VAL 108 -8.059 10.950 6.400 827 3HG1 VAL 108 3HG1 VAL 108 -6.361 11.369 6.533 828 1HG2 VAL 108 1HG2 VAL 108 -8.793 8.636 6.255 829 2HG2 VAL 108 2HG2 VAL 108 -7.569 8.231 5.019 830 3HG2 VAL 108 3HG2 VAL 108 -7.667 7.290 6.517 831 H LYS 109 H LYS 109 -3.932 10.784 5.684 832 HA LYS 109 HA LYS 109 -2.005 11.159 7.669 833 1HB LYS 109 1HB LYS 109 -2.153 12.300 5.456 834 2HB LYS 109 2HB LYS 109 -3.484 13.305 6.068 835 1HG LYS 109 1HG LYS 109 -2.000 14.332 7.726 836 2HG LYS 109 2HG LYS 109 -0.722 13.186 7.301 837 1HD LYS 109 1HD LYS 109 -0.798 14.176 4.927 838 2HD LYS 109 2HD LYS 109 -1.819 15.445 5.614 839 1HE LYS 109 1HE LYS 109 0.461 16.246 5.629 840 2HE LYS 109 2HE LYS 109 -0.032 15.936 7.295 841 1HZ LYS 109 1HZ LYS 109 1.734 14.273 5.614 842 2HZ LYS 109 2HZ LYS 109 2.099 15.078 7.005 843 3HZ LYS 109 3HZ LYS 109 1.142 13.738 7.054 844 HA PRO 110 HA PRO 110 -0.951 12.394 9.272 845 1HB PRO 110 1HB PRO 110 -0.587 12.423 11.957 846 2HB PRO 110 2HB PRO 110 -0.931 13.909 11.017 847 1HG PRO 110 1HG PRO 110 -2.877 12.222 12.620 848 2HG PRO 110 2HG PRO 110 -2.694 14.005 12.611 849 1HD PRO 110 1HD PRO 110 -4.579 12.687 11.111 850 2HD PRO 110 2HD PRO 110 -3.807 14.200 10.553 851 H PHE 111 H PHE 111 0.213 10.514 9.252 852 HA PHE 111 HA PHE 111 -0.689 8.236 10.889 853 1HB PHE 111 1HB PHE 111 -0.347 6.681 9.015 854 2HB PHE 111 2HB PHE 111 -1.681 7.783 8.733 855 HD1 PHE 111 1HD PHE 111 1.862 6.995 7.840 856 HD2 PHE 111 2HD PHE 111 -1.713 9.125 6.767 857 HE1 PHE 111 1HE PHE 111 2.793 7.449 5.590 858 HE2 PHE 111 2HE PHE 111 -0.776 9.607 4.534 859 HZ PHE 111 HZ PHE 111 1.480 8.750 3.948 860 H THR 112 H THR 112 0.998 6.773 11.380 861 HA THR 112 HA THR 112 3.778 7.591 10.917 862 HB THR 112 HB THR 112 4.020 7.511 13.454 863 HG1 THR 112 1HG THR 112 1.405 8.246 13.800 864 1HG2 THR 112 1HG2 THR 112 4.028 9.646 12.181 865 2HG2 THR 112 2HG2 THR 112 2.294 9.807 12.490 866 3HG2 THR 112 3HG2 THR 112 3.452 9.790 13.847 867 H ALA 113 H ALA 113 5.019 5.925 12.686 868 HA ALA 113 HA ALA 113 4.589 3.331 11.540 869 1HB ALA 113 1HB ALA 113 6.286 4.152 13.924 870 2HB ALA 113 2HB ALA 113 6.331 2.596 13.091 871 3HB ALA 113 3HB ALA 113 6.826 4.061 12.232 872 H ALA 114 H ALA 114 3.597 4.991 14.541 873 HA ALA 114 HA ALA 114 2.448 2.896 15.945 874 1HB ALA 114 1HB ALA 114 1.067 4.593 17.017 875 2HB ALA 114 2HB ALA 114 2.703 5.227 16.752 876 3HB ALA 114 3HB ALA 114 1.368 5.726 15.685 877 H THR 115 H THR 115 1.248 4.153 12.885 878 HA THR 115 HA THR 115 -1.189 2.501 13.312 879 HB THR 115 HB THR 115 -1.431 5.040 12.926 880 HG1 THR 115 1HG THR 115 -3.241 4.044 12.951 881 1HG2 THR 115 1HG2 THR 115 -0.089 5.209 10.847 882 2HG2 THR 115 2HG2 THR 115 -1.258 4.156 10.018 883 3HG2 THR 115 3HG2 THR 115 -1.771 5.732 10.645 884 H LEU 116 H LEU 116 1.651 3.027 11.300 885 HA LEU 116 HA LEU 116 1.059 1.239 9.166 886 1HB LEU 116 1HB LEU 116 3.035 2.886 9.539 887 2HB LEU 116 2HB LEU 116 3.744 1.624 10.527 888 HG LEU 116 HG LEU 116 4.776 1.684 8.395 889 1HD1 LEU 116 1HD1 LEU 116 3.028 -0.789 8.444 890 2HD1 LEU 116 2HD1 LEU 116 4.560 -0.588 7.616 891 3HD1 LEU 116 3HD1 LEU 116 4.522 -0.547 9.376 892 1HD2 LEU 116 1HD2 LEU 116 2.119 1.125 7.032 893 2HD2 LEU 116 2HD2 LEU 116 2.982 2.685 7.033 894 3HD2 LEU 116 3HD2 LEU 116 3.712 1.270 6.270 895 H GLU 117 H GLU 117 2.499 0.703 12.451 896 HA GLU 117 HA GLU 117 2.707 -2.105 12.277 897 1HB GLU 117 1HB GLU 117 3.098 -2.083 14.594 898 2HB GLU 117 2HB GLU 117 3.830 -0.633 13.929 899 1HG GLU 117 1HG GLU 117 1.948 0.723 14.773 900 2HG GLU 117 2HG GLU 117 1.196 -0.729 15.421 901 H GLU 118 H GLU 118 -0.037 -0.054 12.980 902 HA GLU 118 HA GLU 118 -1.633 -2.138 14.224 903 1HB GLU 118 1HB GLU 118 -1.855 0.278 14.772 904 2HB GLU 118 2HB GLU 118 -2.413 0.600 13.120 905 1HG GLU 118 1HG GLU 118 -4.367 -0.849 13.446 906 2HG GLU 118 2HG GLU 118 -3.797 -1.300 15.054 907 H LYS 119 H LYS 119 -1.477 -0.586 10.939 908 HA LYS 119 HA LYS 119 -3.652 -2.349 10.052 909 1HB LYS 119 1HB LYS 119 -1.819 -0.849 8.235 910 2HB LYS 119 2HB LYS 119 -3.378 -1.594 7.875 911 1HG LYS 119 1HG LYS 119 -2.884 0.925 9.508 912 2HG LYS 119 2HG LYS 119 -3.556 0.771 7.905 913 1HD LYS 119 1HD LYS 119 -5.541 0.979 8.914 914 2HD LYS 119 2HD LYS 119 -5.371 -0.747 9.170 915 1HE LYS 119 1HE LYS 119 -6.033 0.221 11.251 916 2HE LYS 119 2HE LYS 119 -4.328 -0.226 11.429 917 1HZ LYS 119 1HZ LYS 119 -4.831 1.950 12.340 918 2HZ LYS 119 2HZ LYS 119 -3.768 2.127 11.126 919 3HZ LYS 119 3HZ LYS 119 -5.347 2.505 10.874 920 H LEU 120 H LEU 120 -0.107 -2.527 10.222 921 HA LEU 120 HA LEU 120 0.272 -4.931 8.755 922 1HB LEU 120 1HB LEU 120 1.682 -3.666 11.064 923 2HB LEU 120 2HB LEU 120 2.048 -5.335 10.684 924 HG LEU 120 HG LEU 120 2.255 -3.148 8.600 925 1HD1 LEU 120 1HD1 LEU 120 4.718 -3.150 9.130 926 2HD1 LEU 120 2HD1 LEU 120 3.698 -2.473 10.405 927 3HD1 LEU 120 3HD1 LEU 120 4.344 -4.107 10.587 928 1HD2 LEU 120 1HD2 LEU 120 2.282 -5.562 7.819 929 2HD2 LEU 120 2HD2 LEU 120 3.757 -4.646 7.439 930 3HD2 LEU 120 3HD2 LEU 120 3.747 -5.794 8.784 931 H ASN 121 H ASN 121 -0.475 -4.485 12.278 932 HA ASN 121 HA ASN 121 -0.983 -7.146 12.954 933 1HB ASN 121 1HB ASN 121 -0.970 -5.367 14.607 934 2HB ASN 121 2HB ASN 121 -2.397 -4.627 13.913 935 1HD2 ASN 121 1HD2 ASN 121 -1.317 -6.863 16.245 936 2HD2 ASN 121 2HD2 ASN 121 -2.900 -7.524 16.651 937 H LYS 122 H LYS 122 -3.293 -4.845 11.476 938 HA LYS 122 HA LYS 122 -5.445 -6.685 11.232 939 1HB LYS 122 1HB LYS 122 -4.800 -4.068 10.048 940 2HB LYS 122 2HB LYS 122 -5.581 -5.125 8.881 941 1HG LYS 122 1HG LYS 122 -7.319 -3.942 9.986 942 2HG LYS 122 2HG LYS 122 -7.374 -5.604 10.549 943 1HD LYS 122 1HD LYS 122 -7.725 -4.312 12.434 944 2HD LYS 122 2HD LYS 122 -6.047 -4.800 12.615 945 1HE LYS 122 1HE LYS 122 -5.231 -2.634 12.270 946 2HE LYS 122 2HE LYS 122 -6.566 -2.180 11.213 947 1HZ LYS 122 1HZ LYS 122 -6.870 -1.072 13.348 948 2HZ LYS 122 2HZ LYS 122 -8.025 -2.219 13.203 949 3HZ LYS 122 3HZ LYS 122 -6.754 -2.509 14.165 950 H ILE 123 H ILE 123 -2.981 -6.013 8.621 951 HA ILE 123 HA ILE 123 -4.164 -8.104 7.049 952 HB ILE 123 HB ILE 123 -2.208 -7.830 5.548 953 1HG1 ILE 123 1HG1 ILE 123 -1.248 -5.999 7.753 954 2HG1 ILE 123 2HG1 ILE 123 -0.409 -7.392 7.091 955 1HG2 ILE 123 1HG2 ILE 123 -3.401 -5.173 6.430 956 2HG2 ILE 123 2HG2 ILE 123 -2.868 -5.655 4.803 957 3HG2 ILE 123 3HG2 ILE 123 -4.294 -6.414 5.524 958 1HD1 ILE 123 1HD1 ILE 123 -0.965 -4.750 5.666 959 2HD1 ILE 123 2HD1 ILE 123 0.548 -5.275 6.388 960 3HD1 ILE 123 3HD1 ILE 123 -0.101 -6.162 4.986 961 H PHE 124 H PHE 124 -1.588 -8.223 9.477 962 HA PHE 124 HA PHE 124 -0.619 -10.851 8.974 963 1HB PHE 124 1HB PHE 124 -1.224 -9.485 11.620 964 2HB PHE 124 2HB PHE 124 -0.325 -10.968 11.421 965 HD1 PHE 124 1HD PHE 124 1.162 -9.488 8.791 966 HD2 PHE 124 2HD PHE 124 0.710 -8.786 13.023 967 HE1 PHE 124 1HE PHE 124 3.290 -8.278 8.811 968 HE2 PHE 124 2HE PHE 124 2.836 -7.511 13.024 969 HZ PHE 124 HZ PHE 124 4.151 -7.281 10.928 970 H GLU 125 H GLU 125 -3.311 -9.771 11.116 971 HA GLU 125 HA GLU 125 -4.108 -12.469 11.539 972 1HB GLU 125 1HB GLU 125 -5.487 -9.801 12.078 973 2HB GLU 125 2HB GLU 125 -5.980 -11.314 12.828 974 1HG GLU 125 1HG GLU 125 -3.134 -10.300 13.233 975 2HG GLU 125 2HG GLU 125 -4.470 -9.581 14.107 976 H LYS 126 H LYS 126 -5.316 -10.015 9.269 977 HA LYS 126 HA LYS 126 -7.724 -11.469 8.696 978 1HB LYS 126 1HB LYS 126 -7.170 -8.850 8.799 979 2HB LYS 126 2HB LYS 126 -6.814 -9.077 7.087 980 1HG LYS 126 1HG LYS 126 -9.371 -9.781 8.601 981 2HG LYS 126 2HG LYS 126 -9.153 -8.342 7.606 982 1HD LYS 126 1HD LYS 126 -8.751 -11.089 6.418 983 2HD LYS 126 2HD LYS 126 -10.368 -10.451 6.682 984 1HE LYS 126 1HE LYS 126 -9.924 -8.531 5.246 985 2HE LYS 126 2HE LYS 126 -8.223 -8.982 5.088 986 1HZ LYS 126 1HZ LYS 126 -8.964 -11.027 3.959 987 2HZ LYS 126 2HZ LYS 126 -10.523 -10.529 4.075 988 3HZ LYS 126 3HZ LYS 126 -9.463 -9.685 3.156 989 H LEU 127 H LEU 127 -4.988 -10.334 6.561 990 HA LEU 127 HA LEU 127 -5.817 -12.140 4.515 991 1HB LEU 127 1HB LEU 127 -3.031 -11.022 4.744 992 2HB LEU 127 2HB LEU 127 -3.901 -11.470 3.296 993 HG LEU 127 HG LEU 127 -4.226 -8.990 5.010 994 1HD1 LEU 127 1HD1 LEU 127 -2.459 -9.060 3.241 995 2HD1 LEU 127 2HD1 LEU 127 -3.715 -9.358 2.034 996 3HD1 LEU 127 3HD1 LEU 127 -3.709 -7.840 2.941 997 1HD2 LEU 127 1HD2 LEU 127 -6.083 -8.250 3.645 998 2HD2 LEU 127 2HD2 LEU 127 -6.057 -9.769 2.728 999 3HD2 LEU 127 3HD2 LEU 127 -6.509 -9.774 4.439 1000 H GLY 128 H GLY 128 -3.604 -12.458 7.246 1001 1HA GLY 128 1HA GLY 128 -2.475 -14.384 7.975 1002 2HA GLY 128 2HA GLY 128 -2.755 -15.168 6.415 1003 H MET 129 H MET 129 -1.535 -11.846 7.203 1004 HA MET 129 HA MET 129 0.904 -12.387 5.550 1005 1HB MET 129 2HB MET 129 -0.046 -9.872 6.944 1006 2HB MET 129 3HB MET 129 1.512 -10.022 6.147 1007 1HG MET 129 2HG MET 129 -1.170 -10.233 4.797 1008 2HG MET 129 3HG MET 129 -0.079 -8.865 4.769 1009 1HE MET 129 1HE MET 129 -0.021 -12.462 1.990 1010 2HE MET 129 2HE MET 129 -0.436 -12.690 3.701 1011 3HE MET 129 3HE MET 129 -1.408 -11.599 2.682 Start of MODEL 21 1 1H MET 1 H MET 1 11.267 -18.749 -1.883 2 2H MET 1 2HN MET 1 11.206 -18.035 -0.411 3 3H MET 1 3HN MET 1 12.303 -17.520 -1.517 4 HA MET 1 HA MET 1 12.210 -20.161 -0.249 5 1HB MET 1 2HB MET 1 14.224 -19.027 -2.202 6 2HB MET 1 3HB MET 1 14.518 -20.445 -1.196 7 1HG MET 1 2HG MET 1 12.444 -21.497 -2.122 8 2HG MET 1 3HG MET 1 12.311 -20.164 -3.266 9 1HE MET 1 1HE MET 1 12.477 -23.405 -3.922 10 2HE MET 1 2HE MET 1 12.111 -22.095 -5.069 11 3HE MET 1 3HE MET 1 13.392 -23.265 -5.437 12 H ALA 2 H ALA 2 14.179 -17.033 -0.321 13 HA ALA 2 HA ALA 2 14.888 -17.670 2.499 14 1HB ALA 2 1HB ALA 2 16.846 -16.887 0.313 15 2HB ALA 2 2HB ALA 2 17.214 -17.204 2.019 16 3HB ALA 2 3HB ALA 2 16.654 -18.527 0.982 17 H ASP 3 H ASP 3 13.072 -15.742 1.083 18 HA ASP 3 HA ASP 3 14.426 -13.231 0.876 19 1HB ASP 3 1HB ASP 3 11.462 -13.793 0.527 20 2HB ASP 3 2HB ASP 3 12.427 -12.519 -0.230 21 H LYS 4 H LYS 4 14.865 -13.458 3.367 22 HA LYS 4 HA LYS 4 12.749 -12.747 5.213 23 1HB LYS 4 1HB LYS 4 15.791 -12.509 5.391 24 2HB LYS 4 2HB LYS 4 14.717 -12.187 6.744 25 1HG LYS 4 1HG LYS 4 14.754 -14.851 5.277 26 2HG LYS 4 2HG LYS 4 15.770 -14.502 6.668 27 1HD LYS 4 1HD LYS 4 13.793 -14.074 8.078 28 2HD LYS 4 2HD LYS 4 12.738 -14.324 6.666 29 1HE LYS 4 1HE LYS 4 13.587 -16.638 6.446 30 2HE LYS 4 2HE LYS 4 14.555 -16.427 7.900 31 1HZ LYS 4 1HZ LYS 4 12.427 -17.548 8.209 32 2HZ LYS 4 2HZ LYS 4 12.569 -16.234 9.171 33 3HZ LYS 4 3HZ LYS 4 11.601 -16.162 7.851 34 H GLU 5 H GLU 5 14.260 -10.915 2.838 35 HA GLU 5 HA GLU 5 13.613 -8.305 4.083 36 1HB GLU 5 1HB GLU 5 15.913 -9.284 2.375 37 2HB GLU 5 2HB GLU 5 15.491 -7.582 2.437 38 1HG GLU 5 1HG GLU 5 16.137 -7.342 4.671 39 2HG GLU 5 2HG GLU 5 15.742 -8.999 5.091 40 H LEU 6 H LEU 6 11.651 -9.558 3.265 41 HA LEU 6 HA LEU 6 10.751 -9.646 0.614 42 1HB LEU 6 1HB LEU 6 9.564 -10.712 2.369 43 2HB LEU 6 2HB LEU 6 9.410 -9.237 3.300 44 HG LEU 6 HG LEU 6 8.118 -8.923 0.674 45 1HD1 LEU 6 1HD1 LEU 6 7.120 -11.203 2.405 46 2HD1 LEU 6 2HD1 LEU 6 6.255 -10.480 1.034 47 3HD1 LEU 6 3HD1 LEU 6 7.785 -11.320 0.760 48 1HD2 LEU 6 1HD2 LEU 6 7.111 -8.843 3.556 49 2HD2 LEU 6 2HD2 LEU 6 7.670 -7.458 2.591 50 3HD2 LEU 6 3HD2 LEU 6 6.180 -8.307 2.152 51 H LYS 7 H LYS 7 10.545 -8.095 -0.833 52 HA LYS 7 HA LYS 7 10.760 -5.328 -0.187 53 1HB LYS 7 1HB LYS 7 10.391 -4.797 -2.450 54 2HB LYS 7 2HB LYS 7 11.342 -6.264 -2.457 55 1HG LYS 7 1HG LYS 7 8.336 -6.264 -2.894 56 2HG LYS 7 2HG LYS 7 9.515 -5.906 -4.135 57 1HD LYS 7 1HD LYS 7 10.376 -8.339 -2.880 58 2HD LYS 7 2HD LYS 7 8.661 -8.496 -3.213 59 1HE LYS 7 1HE LYS 7 9.160 -7.618 -5.589 60 2HE LYS 7 2HE LYS 7 10.877 -7.701 -5.165 61 1HZ LYS 7 1HZ LYS 7 10.462 -10.104 -4.649 62 2HZ LYS 7 2HZ LYS 7 8.984 -9.981 -5.341 63 3HZ LYS 7 3HZ LYS 7 10.347 -9.737 -6.232 64 H PHE 8 H PHE 8 9.165 -3.777 -1.062 65 HA PHE 8 HA PHE 8 6.320 -4.406 -0.742 66 1HB PHE 8 1HB PHE 8 7.649 -1.888 0.374 67 2HB PHE 8 2HB PHE 8 5.951 -2.107 0.148 68 HD1 PHE 8 1HD PHE 8 8.436 -4.511 1.893 69 HD2 PHE 8 2HD PHE 8 4.985 -1.930 2.186 70 HE1 PHE 8 1HE PHE 8 7.928 -5.411 4.060 71 HE2 PHE 8 2HE PHE 8 4.582 -2.745 4.472 72 HZ PHE 8 HZ PHE 8 6.060 -4.507 5.438 73 H LEU 9 H LEU 9 5.097 -2.844 -2.168 74 HA LEU 9 HA LEU 9 6.820 -1.181 -3.905 75 1HB LEU 9 1HB LEU 9 5.396 -2.951 -5.105 76 2HB LEU 9 2HB LEU 9 3.982 -2.141 -4.429 77 HG LEU 9 HG LEU 9 4.807 0.005 -5.557 78 1HD1 LEU 9 1HD1 LEU 9 6.668 -1.970 -6.949 79 2HD1 LEU 9 2HD1 LEU 9 6.327 -0.319 -7.513 80 3HD1 LEU 9 3HD1 LEU 9 7.142 -0.566 -5.977 81 1HD2 LEU 9 1HD2 LEU 9 2.976 -1.354 -6.475 82 2HD2 LEU 9 2HD2 LEU 9 3.971 -0.648 -7.750 83 3HD2 LEU 9 3HD2 LEU 9 4.155 -2.366 -7.350 84 H VAL 10 H VAL 10 6.402 0.991 -3.683 85 HA VAL 10 HA VAL 10 4.044 1.847 -2.029 86 HB VAL 10 HB VAL 10 6.898 2.916 -1.829 87 1HG1 VAL 10 1HG1 VAL 10 5.998 4.444 -0.101 88 2HG1 VAL 10 2HG1 VAL 10 5.421 4.812 -1.725 89 3HG1 VAL 10 3HG1 VAL 10 4.347 3.989 -0.578 90 1HG2 VAL 10 1HG2 VAL 10 6.546 0.855 -0.518 91 2HG2 VAL 10 2HG2 VAL 10 6.789 2.270 0.511 92 3HG2 VAL 10 3HG2 VAL 10 5.154 1.616 0.290 93 H VAL 11 H VAL 11 2.707 2.690 -3.654 94 HA VAL 11 HA VAL 11 4.050 4.490 -5.646 95 HB VAL 11 HB VAL 11 1.375 3.162 -6.192 96 1HG1 VAL 11 1HG1 VAL 11 3.506 4.403 -7.971 97 2HG1 VAL 11 2HG1 VAL 11 1.993 3.657 -8.503 98 3HG1 VAL 11 3HG1 VAL 11 1.955 5.136 -7.541 99 1HG2 VAL 11 1HG2 VAL 11 2.799 1.600 -7.612 100 2HG2 VAL 11 2HG2 VAL 11 4.199 2.133 -6.692 101 3HG2 VAL 11 3HG2 VAL 11 2.843 1.293 -5.884 102 H ASP 12 H ASP 12 4.127 6.130 -4.099 103 HA ASP 12 HA ASP 12 1.606 7.294 -3.178 104 1HB ASP 12 1HB ASP 12 2.911 9.020 -2.231 105 2HB ASP 12 2HB ASP 12 3.549 7.472 -1.698 106 H ASP 13 H ASP 13 0.956 9.423 -4.065 107 HA ASP 13 HA ASP 13 1.707 9.932 -6.875 108 1HB ASP 13 1HB ASP 13 -0.564 10.297 -6.333 109 2HB ASP 13 2HB ASP 13 -0.164 11.145 -4.847 110 H PHE 14 H PHE 14 2.700 10.862 -3.716 111 HA PHE 14 HA PHE 14 4.035 13.322 -4.540 112 1HB PHE 14 1HB PHE 14 2.790 12.807 -2.309 113 2HB PHE 14 2HB PHE 14 4.200 11.878 -1.866 114 HD1 PHE 14 1HD PHE 14 5.187 14.894 -3.746 115 HD2 PHE 14 2HD PHE 14 3.841 13.488 0.133 116 HE1 PHE 14 1HE PHE 14 6.029 16.927 -2.695 117 HE2 PHE 14 2HE PHE 14 4.734 15.542 1.159 118 HZ PHE 14 HZ PHE 14 5.827 17.260 -0.237 119 H SER 15 H SER 15 6.300 12.790 -2.696 120 HA SER 15 HA SER 15 7.488 10.290 -3.544 121 1HB SER 15 1HB SER 15 9.371 12.644 -3.729 122 2HB SER 15 2HB SER 15 9.553 11.000 -4.348 123 HG SER 15 HG SER 15 7.522 11.717 -5.606 124 H THR 16 H THR 16 7.966 13.349 -1.700 125 HA THR 16 HA THR 16 9.258 12.382 0.565 126 HB THR 16 HB THR 16 7.078 14.423 0.152 127 HG1 THR 16 1HG THR 16 9.062 14.811 -0.833 128 1HG2 THR 16 1HG2 THR 16 8.718 14.079 2.691 129 2HG2 THR 16 2HG2 THR 16 7.691 15.481 2.294 130 3HG2 THR 16 3HG2 THR 16 6.959 13.899 2.537 131 H MET 17 H MET 17 5.843 11.673 -0.427 132 HA MET 17 HA MET 17 5.163 10.645 2.171 133 1HB MET 17 1HB MET 17 3.438 11.369 0.643 134 2HB MET 17 2HB MET 17 3.860 10.106 -0.511 135 1HG MET 17 1HG MET 17 3.189 8.381 0.967 136 2HG MET 17 2HG MET 17 3.087 9.494 2.337 137 1HE MET 17 1HE MET 17 1.061 10.979 2.936 138 2HE MET 17 2HE MET 17 1.424 11.954 1.502 139 3HE MET 17 3HE MET 17 -0.235 11.399 1.797 140 H ARG 18 H ARG 18 6.747 9.071 -0.792 141 HA ARG 18 HA ARG 18 6.575 6.527 0.574 142 1HB ARG 18 1HB ARG 18 7.683 5.570 -1.182 143 2HB ARG 18 2HB ARG 18 6.797 6.893 -1.912 144 1HG ARG 18 1HG ARG 18 8.741 6.993 -3.024 145 2HG ARG 18 2HG ARG 18 9.081 8.149 -1.763 146 1HD ARG 18 1HD ARG 18 10.401 6.432 -0.529 147 2HD ARG 18 2HD ARG 18 10.021 5.268 -1.793 148 HE ARG 18 HE ARG 18 11.237 7.723 -2.781 149 1HH1 ARG 18 2HH2 ARG 18 11.801 4.311 -2.324 150 2HH1 ARG 18 1HH2 ARG 18 13.461 4.397 -2.692 151 1HH2 ARG 18 2HH1 ARG 18 13.402 7.750 -3.524 152 2HH2 ARG 18 1HH1 ARG 18 14.356 6.290 -3.466 153 H ARG 19 H ARG 19 8.877 9.180 0.564 154 HA ARG 19 HA ARG 19 11.018 7.873 1.988 155 1HB ARG 19 1HB ARG 19 10.047 10.750 1.868 156 2HB ARG 19 2HB ARG 19 11.337 10.291 2.941 157 1HG ARG 19 1HG ARG 19 11.594 9.491 0.036 158 2HG ARG 19 2HG ARG 19 11.775 11.202 0.464 159 1HD ARG 19 1HD ARG 19 13.458 10.669 2.141 160 2HD ARG 19 2HD ARG 19 13.323 8.936 1.778 161 HE ARG 19 HE ARG 19 13.920 9.890 -0.659 162 1HH1 ARG 19 2HH2 ARG 19 15.449 10.802 2.482 163 2HH1 ARG 19 1HH2 ARG 19 16.984 11.102 1.712 164 1HH2 ARG 19 2HH1 ARG 19 16.042 10.211 -1.533 165 2HH2 ARG 19 1HH1 ARG 19 17.290 10.860 -0.532 166 H ILE 20 H ILE 20 8.199 9.757 3.217 167 HA ILE 20 HA ILE 20 8.591 9.180 5.951 168 HB ILE 20 HB ILE 20 6.362 10.234 4.248 169 1HG1 ILE 20 1HG1 ILE 20 6.354 11.974 6.055 170 2HG1 ILE 20 2HG1 ILE 20 7.607 11.081 6.912 171 1HG2 ILE 20 1HG2 ILE 20 4.784 10.285 6.137 172 2HG2 ILE 20 2HG2 ILE 20 5.084 8.654 5.574 173 3HG2 ILE 20 3HG2 ILE 20 5.872 9.221 7.070 174 1HD1 ILE 20 1HD1 ILE 20 8.565 12.978 5.733 175 2HD1 ILE 20 2HD1 ILE 20 9.145 11.500 4.951 176 3HD1 ILE 20 3HD1 ILE 20 7.836 12.454 4.213 177 H VAL 21 H VAL 21 6.303 7.479 3.693 178 HA VAL 21 HA VAL 21 5.538 5.553 5.511 179 HB VAL 21 HB VAL 21 5.796 5.400 2.457 180 1HG1 VAL 21 1HG1 VAL 21 5.754 3.093 3.197 181 2HG1 VAL 21 2HG1 VAL 21 4.404 3.420 4.308 182 3HG1 VAL 21 3HG1 VAL 21 4.182 3.526 2.543 183 1HG2 VAL 21 1HG2 VAL 21 3.372 5.741 4.301 184 2HG2 VAL 21 2HG2 VAL 21 4.170 7.082 3.472 185 3HG2 VAL 21 3HG2 VAL 21 3.377 5.825 2.523 186 H ARG 22 H ARG 22 8.438 5.293 3.283 187 HA ARG 22 HA ARG 22 8.982 2.629 4.167 188 1HB ARG 22 1HB ARG 22 10.142 4.227 2.232 189 2HB ARG 22 2HB ARG 22 11.408 4.190 3.455 190 1HG ARG 22 1HG ARG 22 10.080 1.935 1.975 191 2HG ARG 22 2HG ARG 22 11.775 2.400 1.950 192 1HD ARG 22 1HD ARG 22 12.120 0.636 3.256 193 2HD ARG 22 2HD ARG 22 11.503 1.595 4.580 194 HE ARG 22 HE ARG 22 9.528 0.198 2.914 195 1HH1 ARG 22 2HH2 ARG 22 11.147 0.021 6.033 196 2HH1 ARG 22 1HH2 ARG 22 10.601 -1.542 6.455 197 1HH2 ARG 22 2HH1 ARG 22 8.690 -1.908 3.408 198 2HH2 ARG 22 1HH1 ARG 22 9.001 -2.563 4.953 199 H ASN 23 H ASN 23 10.092 5.832 5.365 200 HA ASN 23 HA ASN 23 11.865 4.877 7.401 201 1HB ASN 23 1HB ASN 23 12.006 7.179 6.973 202 2HB ASN 23 2HB ASN 23 10.263 7.417 7.049 203 1HD2 ASN 23 1HD2 ASN 23 12.779 6.037 9.348 204 2HD2 ASN 23 2HD2 ASN 23 12.282 7.101 10.641 205 H LEU 24 H LEU 24 8.386 5.743 7.646 206 HA LEU 24 HA LEU 24 7.986 4.984 10.333 207 1HB LEU 24 1HB LEU 24 6.074 4.781 7.973 208 2HB LEU 24 2HB LEU 24 5.594 4.641 9.659 209 HG LEU 24 HG LEU 24 6.802 7.159 8.428 210 1HD1 LEU 24 1HD1 LEU 24 4.452 7.969 8.543 211 2HD1 LEU 24 2HD1 LEU 24 4.657 6.599 7.441 212 3HD1 LEU 24 3HD1 LEU 24 3.940 6.335 9.042 213 1HD2 LEU 24 1HD2 LEU 24 5.933 8.246 10.496 214 2HD2 LEU 24 2HD2 LEU 24 5.623 6.632 11.168 215 3HD2 LEU 24 3HD2 LEU 24 7.273 7.135 10.785 216 H LEU 25 H LEU 25 7.844 2.977 7.365 217 HA LEU 25 HA LEU 25 7.185 0.543 8.782 218 1HB LEU 25 1HB LEU 25 8.370 1.170 6.073 219 2HB LEU 25 2HB LEU 25 8.379 -0.474 6.720 220 HG LEU 25 HG LEU 25 5.748 0.938 6.743 221 1HD1 LEU 25 1HD1 LEU 25 6.655 1.367 4.465 222 2HD1 LEU 25 2HD1 LEU 25 6.894 -0.382 4.245 223 3HD1 LEU 25 3HD1 LEU 25 5.264 0.280 4.463 224 1HD2 LEU 25 1HD2 LEU 25 6.711 -1.933 6.234 225 2HD2 LEU 25 2HD2 LEU 25 6.029 -1.319 7.746 226 3HD2 LEU 25 3HD2 LEU 25 5.019 -1.429 6.291 227 H LYS 26 H LYS 26 10.372 1.955 7.757 228 HA LYS 26 HA LYS 26 11.847 -0.375 8.571 229 1HB LYS 26 1HB LYS 26 12.536 2.293 7.460 230 2HB LYS 26 2HB LYS 26 13.692 1.751 8.669 231 1HG LYS 26 1HG LYS 26 13.941 -0.416 7.522 232 2HG LYS 26 2HG LYS 26 12.831 0.112 6.264 233 1HD LYS 26 1HD LYS 26 14.339 1.796 5.454 234 2HD LYS 26 2HD LYS 26 15.445 1.502 6.813 235 1HE LYS 26 1HE LYS 26 15.737 -0.849 6.096 236 2HE LYS 26 2HE LYS 26 14.667 -0.584 4.717 237 1HZ LYS 26 1HZ LYS 26 16.321 0.952 3.803 238 2HZ LYS 26 2HZ LYS 26 17.211 0.861 5.160 239 3HZ LYS 26 3HZ LYS 26 17.097 -0.441 4.204 240 H GLU 27 H GLU 27 10.709 2.376 10.434 241 HA GLU 27 HA GLU 27 12.188 2.000 12.821 242 1HB GLU 27 1HB GLU 27 9.333 2.752 12.128 243 2HB GLU 27 2HB GLU 27 9.764 2.518 13.812 244 1HG GLU 27 1HG GLU 27 11.357 4.387 12.002 245 2HG GLU 27 2HG GLU 27 9.901 4.908 12.862 246 H LEU 28 H LEU 28 9.381 0.205 11.540 247 HA LEU 28 HA LEU 28 9.241 -1.658 13.784 248 1HB LEU 28 1HB LEU 28 7.869 -1.847 11.073 249 2HB LEU 28 2HB LEU 28 7.413 -2.647 12.564 250 HG LEU 28 HG LEU 28 7.285 0.373 12.080 251 1HD1 LEU 28 1HD1 LEU 28 4.870 0.057 11.984 252 2HD1 LEU 28 2HD1 LEU 28 5.691 -0.846 10.697 253 3HD1 LEU 28 3HD1 LEU 28 5.081 -1.707 12.134 254 1HD2 LEU 28 1HD2 LEU 28 6.286 -1.326 14.405 255 2HD2 LEU 28 2HD2 LEU 28 7.594 -0.124 14.463 256 3HD2 LEU 28 3HD2 LEU 28 5.937 0.400 14.173 257 H GLY 29 H GLY 29 10.088 -1.805 10.277 258 1HA GLY 29 1HA GLY 29 12.336 -3.323 10.261 259 2HA GLY 29 2HA GLY 29 11.046 -4.523 10.497 260 H PHE 30 H PHE 30 11.850 -5.280 8.425 261 HA PHE 30 HA PHE 30 11.761 -5.673 6.234 262 1HB PHE 30 1HB PHE 30 9.475 -3.694 6.086 263 2HB PHE 30 2HB PHE 30 9.931 -4.863 4.862 264 HD1 PHE 30 1HD PHE 30 9.446 -7.267 5.184 265 HD2 PHE 30 2HD PHE 30 8.057 -4.263 7.961 266 HE1 PHE 30 1HE PHE 30 7.716 -8.833 6.022 267 HE2 PHE 30 2HE PHE 30 6.334 -5.827 8.781 268 HZ PHE 30 HZ PHE 30 6.149 -8.112 7.824 269 H ASN 31 H ASN 31 11.906 -4.519 3.960 270 HA ASN 31 HA ASN 31 13.155 -1.923 3.886 271 1HB ASN 31 1HB ASN 31 15.420 -2.704 3.624 272 2HB ASN 31 2HB ASN 31 14.846 -3.430 5.110 273 1HD2 ASN 31 1HD2 ASN 31 16.919 -4.261 2.934 274 2HD2 ASN 31 2HD2 ASN 31 16.438 -5.874 2.496 275 H ASN 32 H ASN 32 14.749 -2.433 1.636 276 HA ASN 32 HA ASN 32 14.889 -2.863 -0.515 277 1HB ASN 32 1HB ASN 32 14.387 -5.349 0.893 278 2HB ASN 32 2HB ASN 32 13.849 -5.490 -0.738 279 1HD2 ASN 32 1HD2 ASN 32 15.479 -6.113 -2.173 280 2HD2 ASN 32 2HD2 ASN 32 17.190 -5.760 -1.929 281 H VAL 33 H VAL 33 12.527 -1.413 0.076 282 HA VAL 33 HA VAL 33 10.381 -2.457 -1.475 283 HB VAL 33 HB VAL 33 9.278 -0.376 -1.036 284 1HG1 VAL 33 1HG1 VAL 33 9.255 -0.389 1.296 285 2HG1 VAL 33 2HG1 VAL 33 9.792 -2.029 0.882 286 3HG1 VAL 33 3HG1 VAL 33 10.984 -0.856 1.431 287 1HG2 VAL 33 1HG2 VAL 33 11.196 1.189 -1.580 288 2HG2 VAL 33 2HG2 VAL 33 10.288 1.613 -0.164 289 3HG2 VAL 33 3HG2 VAL 33 11.884 0.824 0.015 290 H GLU 34 H GLU 34 9.349 -1.009 -3.219 291 HA GLU 34 HA GLU 34 11.243 0.465 -4.897 292 1HB GLU 34 1HB GLU 34 9.238 -1.625 -5.841 293 2HB GLU 34 2HB GLU 34 10.048 -0.514 -6.897 294 1HG GLU 34 1HG GLU 34 11.313 -2.772 -5.243 295 2HG GLU 34 2HG GLU 34 11.030 -2.771 -6.963 296 H GLU 35 H GLU 35 9.702 1.551 -6.643 297 HA GLU 35 HA GLU 35 7.040 2.130 -5.620 298 1HB GLU 35 1HB GLU 35 8.859 4.376 -6.584 299 2HB GLU 35 2HB GLU 35 7.207 4.505 -6.037 300 1HG GLU 35 1HG GLU 35 8.334 5.224 -4.165 301 2HG GLU 35 2HG GLU 35 8.091 3.537 -3.744 302 H ALA 36 H ALA 36 6.010 3.555 -7.557 303 HA ALA 36 HA ALA 36 6.946 2.634 -10.177 304 1HB ALA 36 1HB ALA 36 5.156 1.015 -9.362 305 2HB ALA 36 2HB ALA 36 4.033 2.408 -9.315 306 3HB ALA 36 3HB ALA 36 4.754 1.903 -10.829 307 H GLU 37 H GLU 37 5.647 3.951 -11.859 308 HA GLU 37 HA GLU 37 5.725 6.750 -11.181 309 1HB GLU 37 1HB GLU 37 4.402 5.370 -13.564 310 2HB GLU 37 2HB GLU 37 4.739 7.095 -13.395 311 1HG GLU 37 1HG GLU 37 7.236 6.186 -12.943 312 2HG GLU 37 2HG GLU 37 6.635 4.800 -13.858 313 H ASP 38 H ASP 38 3.070 4.349 -11.326 314 HA ASP 38 HA ASP 38 1.063 5.953 -10.086 315 1HB ASP 38 1HB ASP 38 -0.286 6.425 -11.971 316 2HB ASP 38 2HB ASP 38 1.304 7.037 -12.419 317 H GLY 39 H GLY 39 -1.090 4.638 -10.382 318 1HA GLY 39 1HA GLY 39 -0.933 2.044 -9.724 319 2HA GLY 39 2HA GLY 39 -2.318 2.729 -10.562 320 H VAL 40 H VAL 40 -1.015 3.111 -13.211 321 HA VAL 40 HA VAL 40 -1.390 0.406 -14.177 322 HB VAL 40 HB VAL 40 -0.209 2.827 -15.600 323 1HG1 VAL 40 1HG1 VAL 40 0.221 0.741 -16.795 324 2HG1 VAL 40 2HG1 VAL 40 -1.492 0.292 -16.685 325 3HG1 VAL 40 3HG1 VAL 40 -0.985 1.696 -17.659 326 1HG2 VAL 40 1HG2 VAL 40 -2.498 3.183 -16.506 327 2HG2 VAL 40 2HG2 VAL 40 -3.111 1.873 -15.473 328 3HG2 VAL 40 3HG2 VAL 40 -2.485 3.373 -14.756 329 H ASP 41 H ASP 41 1.459 2.560 -13.689 330 HA ASP 41 HA ASP 41 3.385 0.558 -14.451 331 1HB ASP 41 1HB ASP 41 3.781 3.064 -14.349 332 2HB ASP 41 2HB ASP 41 3.808 2.933 -12.604 333 H ALA 42 H ALA 42 1.586 1.166 -11.470 334 HA ALA 42 HA ALA 42 3.268 -0.259 -9.690 335 1HB ALA 42 1HB ALA 42 0.235 -0.116 -9.456 336 2HB ALA 42 2HB ALA 42 1.419 -0.240 -8.168 337 3HB ALA 42 3HB ALA 42 1.256 1.275 -9.100 338 H LEU 43 H LEU 43 0.377 -1.170 -11.524 339 HA LEU 43 HA LEU 43 0.240 -3.917 -10.989 340 1HB LEU 43 1HB LEU 43 -1.292 -2.213 -12.374 341 2HB LEU 43 2HB LEU 43 -0.355 -2.820 -13.733 342 HG LEU 43 HG LEU 43 -0.976 -5.193 -12.752 343 1HD1 LEU 43 1HD1 LEU 43 -3.234 -3.522 -11.578 344 2HD1 LEU 43 2HD1 LEU 43 -3.069 -5.295 -11.527 345 3HD1 LEU 43 3HD1 LEU 43 -1.948 -4.275 -10.624 346 1HD2 LEU 43 1HD2 LEU 43 -1.782 -4.384 -14.916 347 2HD2 LEU 43 2HD2 LEU 43 -3.124 -5.148 -14.054 348 3HD2 LEU 43 3HD2 LEU 43 -3.008 -3.374 -14.124 349 H ASN 44 H ASN 44 1.966 -2.169 -13.537 350 HA ASN 44 HA ASN 44 3.271 -4.280 -14.846 351 1HB ASN 44 1HB ASN 44 3.072 -1.792 -15.461 352 2HB ASN 44 2HB ASN 44 4.479 -1.524 -14.432 353 1HD2 ASN 44 1HD2 ASN 44 3.909 -1.462 -17.498 354 2HD2 ASN 44 2HD2 ASN 44 5.273 -2.338 -18.158 355 H LYS 45 H LYS 45 4.362 -2.451 -11.915 356 HA LYS 45 HA LYS 45 6.793 -4.000 -11.597 357 1HB LYS 45 1HB LYS 45 5.260 -2.069 -9.885 358 2HB LYS 45 2HB LYS 45 6.206 -3.288 -9.044 359 1HG LYS 45 1HG LYS 45 7.603 -1.418 -9.244 360 2HG LYS 45 2HG LYS 45 8.228 -2.626 -10.361 361 1HD LYS 45 1HD LYS 45 7.261 -1.400 -12.269 362 2HD LYS 45 2HD LYS 45 6.452 -0.270 -11.157 363 1HE LYS 45 1HE LYS 45 8.628 0.460 -10.264 364 2HE LYS 45 2HE LYS 45 9.472 -0.655 -11.349 365 1HZ LYS 45 1HZ LYS 45 9.355 1.678 -12.132 366 2HZ LYS 45 2HZ LYS 45 8.757 0.598 -13.204 367 3HZ LYS 45 3HZ LYS 45 7.721 1.524 -12.333 368 H LEU 46 H LEU 46 3.453 -4.492 -10.294 369 HA LEU 46 HA LEU 46 4.122 -6.591 -8.542 370 1HB LEU 46 1HB LEU 46 1.539 -6.747 -10.128 371 2HB LEU 46 2HB LEU 46 1.854 -7.304 -8.491 372 HG LEU 46 HG LEU 46 1.621 -4.482 -9.475 373 1HD1 LEU 46 1HD1 LEU 46 -0.383 -4.328 -8.328 374 2HD1 LEU 46 2HD1 LEU 46 -0.465 -5.770 -9.337 375 3HD1 LEU 46 3HD1 LEU 46 -0.192 -5.943 -7.591 376 1HD2 LEU 46 1HD2 LEU 46 1.776 -3.673 -7.225 377 2HD2 LEU 46 2HD2 LEU 46 2.003 -5.324 -6.586 378 3HD2 LEU 46 3HD2 LEU 46 3.254 -4.544 -7.584 379 H GLN 47 H GLN 47 3.100 -6.802 -11.950 380 HA GLN 47 HA GLN 47 3.637 -9.653 -12.112 381 1HB GLN 47 1HB GLN 47 2.939 -9.486 -14.380 382 2HB GLN 47 2HB GLN 47 1.809 -8.622 -13.367 383 1HG GLN 47 1HG GLN 47 2.186 -6.631 -14.381 384 2HG GLN 47 2HG GLN 47 3.934 -6.849 -14.429 385 1HE2 GLN 47 1HE2 GLN 47 4.640 -8.685 -15.988 386 2HE2 GLN 47 2HE2 GLN 47 3.877 -8.723 -17.574 387 H ALA 48 H ALA 48 5.998 -7.880 -11.381 388 HA ALA 48 HA ALA 48 7.858 -9.010 -13.395 389 1HB ALA 48 1HB ALA 48 7.771 -6.537 -13.292 390 2HB ALA 48 2HB ALA 48 8.305 -6.605 -11.594 391 3HB ALA 48 3HB ALA 48 9.366 -7.207 -12.884 392 H GLY 49 H GLY 49 6.561 -10.137 -10.814 393 1HA GLY 49 1HA GLY 49 8.169 -12.072 -10.284 394 2HA GLY 49 2HA GLY 49 9.078 -10.872 -9.381 395 H GLY 50 H GLY 50 5.909 -9.927 -8.851 396 1HA GLY 50 1HA GLY 50 4.398 -10.418 -7.167 397 2HA GLY 50 2HA GLY 50 5.357 -11.818 -6.674 398 H TYR 51 H TYR 51 4.499 -8.702 -5.874 399 HA TYR 51 HA TYR 51 6.943 -7.998 -4.316 400 1HB TYR 51 1HB TYR 51 4.560 -6.431 -5.339 401 2HB TYR 51 2HB TYR 51 5.539 -5.851 -4.000 402 HD1 TYR 51 1HD TYR 51 6.134 -7.334 -7.485 403 HD2 TYR 51 2HD TYR 51 7.331 -4.426 -4.508 404 HE1 TYR 51 1HE TYR 51 8.043 -6.687 -8.875 405 HE2 TYR 51 2HE TYR 51 9.221 -3.792 -5.907 406 HH TYR 51 HH TYR 51 10.570 -4.415 -7.852 407 H GLY 52 H GLY 52 6.484 -7.280 -1.963 408 1HA GLY 52 1HA GLY 52 4.805 -9.319 -0.740 409 2HA GLY 52 2HA GLY 52 5.872 -8.158 0.042 410 H PHE 53 H PHE 53 4.568 -5.858 -1.444 411 HA PHE 53 HA PHE 53 1.931 -5.610 -0.181 412 1HB PHE 53 1HB PHE 53 4.423 -4.014 0.515 413 2HB PHE 53 2HB PHE 53 2.848 -3.276 0.630 414 HD1 PHE 53 1HD PHE 53 1.559 -3.432 2.559 415 HD2 PHE 53 2HD PHE 53 4.865 -6.142 1.955 416 HE1 PHE 53 1HE PHE 53 1.320 -4.241 4.865 417 HE2 PHE 53 2HE PHE 53 4.565 -7.023 4.244 418 HZ PHE 53 HZ PHE 53 2.785 -6.115 5.700 419 H VAL 54 H VAL 54 0.806 -3.799 -1.033 420 HA VAL 54 HA VAL 54 2.086 -2.342 -3.296 421 HB VAL 54 HB VAL 54 -0.781 -3.328 -3.355 422 1HG1 VAL 54 1HG1 VAL 54 1.238 -2.527 -5.478 423 2HG1 VAL 54 2HG1 VAL 54 -0.319 -3.255 -5.863 424 3HG1 VAL 54 3HG1 VAL 54 -0.274 -1.675 -5.066 425 1HG2 VAL 54 1HG2 VAL 54 -0.135 -5.174 -4.756 426 2HG2 VAL 54 2HG2 VAL 54 1.597 -4.867 -4.409 427 3HG2 VAL 54 3HG2 VAL 54 0.476 -5.357 -3.120 428 H ILE 55 H ILE 55 2.420 -0.920 -1.319 429 HA ILE 55 HA ILE 55 0.023 0.238 -0.056 430 HB ILE 55 HB ILE 55 3.036 0.715 0.143 431 1HG1 ILE 55 1HG1 ILE 55 0.974 0.124 2.327 432 2HG1 ILE 55 2HG1 ILE 55 1.741 -1.178 1.405 433 1HG2 ILE 55 1HG2 ILE 55 2.324 2.404 1.976 434 2HG2 ILE 55 2HG2 ILE 55 2.057 2.941 0.307 435 3HG2 ILE 55 3HG2 ILE 55 0.705 2.320 1.266 436 1HD1 ILE 55 1HD1 ILE 55 3.017 -1.074 3.336 437 2HD1 ILE 55 2HD1 ILE 55 3.976 -0.089 2.199 438 3HD1 ILE 55 3HD1 ILE 55 2.964 0.693 3.427 439 H SER 56 H SER 56 -1.007 2.110 -0.866 440 HA SER 56 HA SER 56 0.112 3.290 -3.345 441 1HB SER 56 1HB SER 56 -2.475 2.761 -4.034 442 2HB SER 56 2HB SER 56 -1.086 1.762 -4.466 443 HG SER 56 HG SER 56 -1.541 0.369 -2.774 444 H ASP 57 H ASP 57 -0.519 5.361 -3.745 445 HA ASP 57 HA ASP 57 -1.989 6.931 -1.818 446 1HB ASP 57 1HB ASP 57 -0.350 7.622 -3.871 447 2HB ASP 57 2HB ASP 57 -1.871 7.751 -4.725 448 H TRP 58 H TRP 58 -4.059 8.049 -2.563 449 HA TRP 58 HA TRP 58 -5.877 6.166 -3.992 450 1HB TRP 58 1HB TRP 58 -6.712 7.429 -1.917 451 2HB TRP 58 2HB TRP 58 -6.740 8.869 -2.929 452 HD1 TRP 58 HD TRP 58 -8.063 7.991 -5.550 453 HE1 TRP 58 1HE TRP 58 -10.311 6.784 -5.750 454 HE3 TRP 58 3HE TRP 58 -8.398 6.144 -0.792 455 HZ2 TRP 58 2HZ TRP 58 -12.068 5.269 -4.041 456 HZ3 TRP 58 3HZ TRP 58 -10.288 4.653 -0.176 457 HH2 TRP 58 HH TRP 58 -12.044 4.151 -1.788 458 H ASN 59 H ASN 59 -4.657 9.574 -4.015 459 HA ASN 59 HA ASN 59 -5.703 9.911 -6.726 460 1HB ASN 59 1HB ASN 59 -5.165 12.252 -6.501 461 2HB ASN 59 2HB ASN 59 -6.157 11.679 -5.179 462 1HD2 ASN 59 1HD2 ASN 59 -2.665 12.195 -5.957 463 2HD2 ASN 59 2HD2 ASN 59 -2.257 12.863 -4.379 464 H MET 60 H MET 60 -3.773 8.003 -6.709 465 HA MET 60 HA MET 60 -1.391 9.054 -8.080 466 1HB MET 60 1HB MET 60 -1.103 6.703 -8.810 467 2HB MET 60 2HB MET 60 -1.164 6.892 -7.058 468 1HG MET 60 1HG MET 60 -3.490 6.085 -7.045 469 2HG MET 60 2HG MET 60 -3.464 5.992 -8.810 470 1HE MET 60 1HE MET 60 -0.367 4.834 -6.606 471 2HE MET 60 2HE MET 60 -1.777 4.628 -5.538 472 3HE MET 60 3HE MET 60 -0.903 3.203 -6.156 473 HA PRO 61 HA PRO 61 -3.845 9.900 -11.648 474 1HB PRO 61 1HB PRO 61 -2.033 9.990 -13.674 475 2HB PRO 61 2HB PRO 61 -1.969 11.139 -12.304 476 1HG PRO 61 1HG PRO 61 -0.387 8.598 -12.704 477 2HG PRO 61 2HG PRO 61 0.225 10.194 -12.195 478 1HD PRO 61 1HD PRO 61 -0.367 8.181 -10.407 479 2HD PRO 61 2HD PRO 61 -0.530 9.904 -9.993 480 H ASN 62 H ASN 62 -4.333 9.096 -13.927 481 HA ASN 62 HA ASN 62 -5.281 7.589 -15.222 482 1HB ASN 62 1HB ASN 62 -2.616 6.256 -14.713 483 2HB ASN 62 2HB ASN 62 -3.852 5.423 -15.645 484 1HD2 ASN 62 1HD2 ASN 62 -4.670 6.365 -17.622 485 2HD2 ASN 62 2HD2 ASN 62 -3.655 7.434 -18.537 486 H MET 63 H MET 63 -3.892 5.075 -13.154 487 HA MET 63 HA MET 63 -6.628 3.969 -12.705 488 1HB MET 63 1HB MET 63 -4.996 2.502 -13.830 489 2HB MET 63 2HB MET 63 -3.845 2.731 -12.513 490 1HG MET 63 1HG MET 63 -5.464 1.691 -10.946 491 2HG MET 63 2HG MET 63 -6.572 1.399 -12.291 492 1HE MET 63 1HE MET 63 -4.702 0.385 -14.693 493 2HE MET 63 2HE MET 63 -4.726 -1.358 -14.378 494 3HE MET 63 3HE MET 63 -6.212 -0.397 -14.173 495 H ASP 64 H ASP 64 -7.317 5.264 -10.913 496 HA ASP 64 HA ASP 64 -5.517 6.139 -8.897 497 1HB ASP 64 1HB ASP 64 -8.176 5.739 -7.771 498 2HB ASP 64 2HB ASP 64 -7.197 7.167 -7.877 499 H GLY 65 H GLY 65 -5.604 5.449 -6.562 500 1HA GLY 65 1HA GLY 65 -4.640 2.910 -6.210 501 2HA GLY 65 2HA GLY 65 -5.347 3.871 -4.910 502 H LEU 66 H LEU 66 -8.069 3.876 -5.846 503 HA LEU 66 HA LEU 66 -8.947 1.397 -4.731 504 1HB LEU 66 1HB LEU 66 -10.128 3.684 -4.795 505 2HB LEU 66 2HB LEU 66 -10.674 3.289 -6.411 506 HG LEU 66 HG LEU 66 -12.315 3.002 -4.629 507 1HD1 LEU 66 1HD1 LEU 66 -12.510 1.573 -6.693 508 2HD1 LEU 66 2HD1 LEU 66 -11.806 0.246 -5.734 509 3HD1 LEU 66 3HD1 LEU 66 -13.336 0.982 -5.234 510 1HD2 LEU 66 1HD2 LEU 66 -10.709 2.200 -2.868 511 2HD2 LEU 66 2HD2 LEU 66 -12.200 1.244 -3.022 512 3HD2 LEU 66 3HD2 LEU 66 -10.707 0.619 -3.694 513 H GLU 67 H GLU 67 -8.449 2.503 -8.083 514 HA GLU 67 HA GLU 67 -9.859 0.206 -9.219 515 1HB GLU 67 1HB GLU 67 -8.166 2.311 -10.634 516 2HB GLU 67 2HB GLU 67 -9.293 1.140 -11.355 517 1HG GLU 67 1HG GLU 67 -11.029 2.247 -9.684 518 2HG GLU 67 2HG GLU 67 -9.895 3.594 -9.683 519 H LEU 68 H LEU 68 -6.503 1.259 -8.606 520 HA LEU 68 HA LEU 68 -5.160 -0.973 -9.769 521 1HB LEU 68 1HB LEU 68 -3.956 1.001 -8.982 522 2HB LEU 68 2HB LEU 68 -4.508 0.725 -7.332 523 HG LEU 68 HG LEU 68 -3.232 -1.402 -7.241 524 1HD1 LEU 68 1HD1 LEU 68 -3.094 -2.100 -9.561 525 2HD1 LEU 68 2HD1 LEU 68 -2.311 -0.592 -10.026 526 3HD1 LEU 68 3HD1 LEU 68 -1.443 -1.774 -9.032 527 1HD2 LEU 68 1HD2 LEU 68 -1.005 -0.375 -7.091 528 2HD2 LEU 68 2HD2 LEU 68 -1.620 1.059 -7.944 529 3HD2 LEU 68 3HD2 LEU 68 -2.271 0.624 -6.358 530 H LEU 69 H LEU 69 -6.494 -0.490 -6.484 531 HA LEU 69 HA LEU 69 -6.090 -3.079 -5.443 532 1HB LEU 69 1HB LEU 69 -6.748 -1.604 -3.852 533 2HB LEU 69 2HB LEU 69 -7.897 -0.789 -4.893 534 HG LEU 69 HG LEU 69 -9.595 -2.324 -4.543 535 1HD1 LEU 69 1HD1 LEU 69 -8.092 -4.484 -4.158 536 2HD1 LEU 69 2HD1 LEU 69 -8.153 -3.980 -2.471 537 3HD1 LEU 69 3HD1 LEU 69 -9.646 -4.292 -3.345 538 1HD2 LEU 69 1HD2 LEU 69 -9.838 -2.089 -2.017 539 2HD2 LEU 69 2HD2 LEU 69 -8.126 -1.651 -1.963 540 3HD2 LEU 69 3HD2 LEU 69 -9.261 -0.600 -2.781 541 H LYS 70 H LYS 70 -9.007 -1.872 -7.238 542 HA LYS 70 HA LYS 70 -10.191 -4.484 -7.138 543 1HB LYS 70 1HB LYS 70 -10.728 -2.132 -8.993 544 2HB LYS 70 2HB LYS 70 -11.641 -3.649 -9.009 545 1HG LYS 70 1HG LYS 70 -11.999 -3.325 -6.487 546 2HG LYS 70 2HG LYS 70 -11.407 -1.690 -6.689 547 1HD LYS 70 1HD LYS 70 -13.230 -1.128 -8.206 548 2HD LYS 70 2HD LYS 70 -13.663 -2.843 -8.382 549 1HE LYS 70 1HE LYS 70 -14.190 -2.913 -5.927 550 2HE LYS 70 2HE LYS 70 -14.033 -1.141 -5.894 551 1HZ LYS 70 1HZ LYS 70 -15.850 -0.989 -7.439 552 2HZ LYS 70 2HZ LYS 70 -15.846 -2.607 -7.710 553 3HZ LYS 70 3HZ LYS 70 -16.340 -2.058 -6.269 554 H THR 71 H THR 71 -7.951 -3.137 -9.521 555 HA THR 71 HA THR 71 -8.167 -5.204 -11.472 556 HB THR 71 HB THR 71 -5.776 -3.469 -10.744 557 HG1 THR 71 1HG THR 71 -7.497 -2.153 -11.186 558 1HG2 THR 71 1HG2 THR 71 -5.181 -3.728 -13.116 559 2HG2 THR 71 2HG2 THR 71 -5.212 -5.303 -12.308 560 3HG2 THR 71 3HG2 THR 71 -6.557 -4.828 -13.362 561 H ILE 72 H ILE 72 -5.959 -4.766 -8.689 562 HA ILE 72 HA ILE 72 -4.607 -7.269 -8.763 563 HB ILE 72 HB ILE 72 -5.217 -5.080 -6.756 564 1HG1 ILE 72 1HG1 ILE 72 -2.534 -6.059 -7.826 565 2HG1 ILE 72 2HG1 ILE 72 -3.509 -4.877 -8.689 566 1HG2 ILE 72 1HG2 ILE 72 -3.772 -6.012 -5.072 567 2HG2 ILE 72 2HG2 ILE 72 -5.070 -7.149 -5.377 568 3HG2 ILE 72 3HG2 ILE 72 -3.458 -7.418 -6.073 569 1HD1 ILE 72 1HD1 ILE 72 -3.570 -3.510 -6.506 570 2HD1 ILE 72 2HD1 ILE 72 -2.223 -4.554 -5.972 571 3HD1 ILE 72 3HD1 ILE 72 -2.078 -3.524 -7.410 572 H ARG 73 H ARG 73 -7.610 -6.286 -7.141 573 HA ARG 73 HA ARG 73 -7.872 -8.648 -5.639 574 1HB ARG 73 1HB ARG 73 -9.135 -6.214 -5.584 575 2HB ARG 73 2HB ARG 73 -10.375 -7.173 -6.377 576 1HG ARG 73 1HG ARG 73 -10.852 -7.358 -4.089 577 2HG ARG 73 2HG ARG 73 -10.009 -8.870 -4.430 578 1HD ARG 73 1HD ARG 73 -7.850 -7.527 -3.697 579 2HD ARG 73 2HD ARG 73 -9.008 -6.438 -2.928 580 HE ARG 73 HE ARG 73 -8.080 -8.901 -1.946 581 1HH1 ARG 73 2HH2 ARG 73 -11.226 -7.145 -2.140 582 2HH1 ARG 73 1HH2 ARG 73 -12.002 -8.345 -1.146 583 1HH2 ARG 73 2HH1 ARG 73 -9.034 -9.977 -0.212 584 2HH2 ARG 73 1HH1 ARG 73 -10.694 -9.688 0.226 585 H ALA 74 H ALA 74 -8.273 -8.422 -8.971 586 HA ALA 74 HA ALA 74 -10.647 -9.698 -9.542 587 1HB ALA 74 1HB ALA 74 -9.227 -8.659 -11.236 588 2HB ALA 74 2HB ALA 74 -7.986 -9.899 -11.015 589 3HB ALA 74 3HB ALA 74 -9.579 -10.337 -11.688 590 H ASP 75 H ASP 75 -7.504 -11.375 -9.482 591 HA ASP 75 HA ASP 75 -8.081 -13.659 -8.064 592 1HB ASP 75 1HB ASP 75 -8.696 -15.432 -9.651 593 2HB ASP 75 2HB ASP 75 -9.977 -14.287 -9.519 594 H GLY 76 H GLY 76 -6.047 -12.082 -10.290 595 1HA GLY 76 1HA GLY 76 -4.499 -14.137 -11.331 596 2HA GLY 76 2HA GLY 76 -3.987 -12.476 -11.109 597 H ALA 77 H ALA 77 -4.765 -14.443 -8.349 598 HA ALA 77 HA ALA 77 -3.717 -15.086 -6.486 599 1HB ALA 77 1HB ALA 77 -0.992 -14.540 -7.726 600 2HB ALA 77 2HB ALA 77 -1.350 -15.440 -6.259 601 3HB ALA 77 3HB ALA 77 -1.852 -16.103 -7.820 602 H MET 78 H MET 78 -3.258 -12.098 -8.066 603 HA MET 78 HA MET 78 -1.879 -10.737 -5.950 604 1HB MET 78 1HB MET 78 -3.532 -9.480 -8.173 605 2HB MET 78 2HB MET 78 -2.242 -8.741 -7.211 606 1HG MET 78 1HG MET 78 -0.704 -10.578 -8.138 607 2HG MET 78 2HG MET 78 -1.977 -10.882 -9.325 608 1HE MET 78 1HE MET 78 1.042 -10.184 -10.078 609 2HE MET 78 2HE MET 78 -0.243 -10.493 -11.271 610 3HE MET 78 3HE MET 78 0.775 -9.043 -11.414 611 H SER 79 H SER 79 -5.060 -11.843 -6.196 612 HA SER 79 HA SER 79 -6.664 -10.083 -4.831 613 1HB SER 79 1HB SER 79 -7.190 -12.740 -3.913 614 2HB SER 79 2HB SER 79 -8.028 -11.838 -5.174 615 HG SER 79 HG SER 79 -6.940 -13.990 -5.648 616 H ALA 80 H ALA 80 -4.110 -12.137 -3.541 617 HA ALA 80 HA ALA 80 -4.762 -11.639 -0.733 618 1HB ALA 80 1HB ALA 80 -3.933 -13.816 -1.559 619 2HB ALA 80 2HB ALA 80 -2.412 -13.048 -2.077 620 3HB ALA 80 3HB ALA 80 -2.832 -13.119 -0.355 621 H LEU 81 H LEU 81 -3.130 -9.714 -3.052 622 HA LEU 81 HA LEU 81 -0.786 -9.036 -1.523 623 1HB LEU 81 1HB LEU 81 -2.254 -7.730 -3.833 624 2HB LEU 81 2HB LEU 81 -1.059 -6.829 -2.963 625 HG LEU 81 HG LEU 81 -0.469 -9.502 -4.276 626 1HD1 LEU 81 1HD1 LEU 81 -0.979 -7.210 -5.704 627 2HD1 LEU 81 2HD1 LEU 81 0.755 -7.021 -5.397 628 3HD1 LEU 81 3HD1 LEU 81 0.180 -8.455 -6.210 629 1HD2 LEU 81 1HD2 LEU 81 1.921 -8.663 -3.990 630 2HD2 LEU 81 2HD2 LEU 81 1.304 -7.386 -2.943 631 3HD2 LEU 81 3HD2 LEU 81 1.119 -9.082 -2.475 632 HA PRO 82 HA PRO 82 -3.030 -6.200 1.149 633 1HB PRO 82 1HB PRO 82 -0.946 -5.193 2.620 634 2HB PRO 82 2HB PRO 82 -1.769 -6.755 2.910 635 1HG PRO 82 1HG PRO 82 0.846 -6.261 1.521 636 2HG PRO 82 2HG PRO 82 0.416 -7.582 2.643 637 1HD PRO 82 1HD PRO 82 0.439 -7.804 -0.134 638 2HD PRO 82 2HD PRO 82 -0.563 -8.822 0.944 639 H VAL 83 H VAL 83 -3.544 -5.181 -0.821 640 HA VAL 83 HA VAL 83 -2.237 -2.700 -1.603 641 HB VAL 83 HB VAL 83 -4.620 -2.197 -2.456 642 1HG1 VAL 83 1HG1 VAL 83 -2.874 -2.775 -3.961 643 2HG1 VAL 83 2HG1 VAL 83 -2.947 -4.501 -3.507 644 3HG1 VAL 83 3HG1 VAL 83 -4.280 -3.740 -4.401 645 1HG2 VAL 83 1HG2 VAL 83 -6.021 -4.145 -2.936 646 2HG2 VAL 83 2HG2 VAL 83 -5.015 -5.194 -1.954 647 3HG2 VAL 83 3HG2 VAL 83 -5.927 -3.867 -1.191 648 H LEU 84 H LEU 84 -2.097 -1.001 -0.303 649 HA LEU 84 HA LEU 84 -3.910 -0.804 2.057 650 1HB LEU 84 1HB LEU 84 -1.850 -1.964 2.679 651 2HB LEU 84 2HB LEU 84 -0.887 -0.717 1.922 652 HG LEU 84 HG LEU 84 -1.317 0.860 3.632 653 1HD1 LEU 84 1HD1 LEU 84 -3.687 0.763 3.944 654 2HD1 LEU 84 2HD1 LEU 84 -3.615 -0.924 4.519 655 3HD1 LEU 84 3HD1 LEU 84 -2.964 0.411 5.507 656 1HD2 LEU 84 1HD2 LEU 84 -1.202 -1.865 5.010 657 2HD2 LEU 84 2HD2 LEU 84 0.185 -1.019 4.300 658 3HD2 LEU 84 3HD2 LEU 84 -0.655 -0.313 5.689 659 H MET 85 H MET 85 -4.936 1.050 1.803 660 HA MET 85 HA MET 85 -3.964 3.052 -0.109 661 1HB MET 85 1HB MET 85 -6.349 3.103 1.768 662 2HB MET 85 2HB MET 85 -6.072 4.237 0.452 663 1HG MET 85 1HG MET 85 -6.460 1.244 0.022 664 2HG MET 85 2HG MET 85 -7.793 2.364 0.190 665 1HE MET 85 1HE MET 85 -4.706 1.361 -1.845 666 2HE MET 85 2HE MET 85 -5.010 2.013 -3.461 667 3HE MET 85 3HE MET 85 -4.420 3.088 -2.190 668 H VAL 86 H VAL 86 -2.592 4.691 0.456 669 HA VAL 86 HA VAL 86 -2.589 5.738 3.231 670 HB VAL 86 HB VAL 86 -0.107 5.048 1.595 671 1HG1 VAL 86 1HG1 VAL 86 0.229 7.074 2.929 672 2HG1 VAL 86 2HG1 VAL 86 -0.423 6.276 4.377 673 3HG1 VAL 86 3HG1 VAL 86 1.110 5.736 3.664 674 1HG2 VAL 86 1HG2 VAL 86 0.470 3.451 3.345 675 2HG2 VAL 86 2HG2 VAL 86 -1.035 3.772 4.202 676 3HG2 VAL 86 3HG2 VAL 86 -1.075 3.007 2.607 677 H THR 87 H THR 87 -3.467 7.766 2.815 678 HA THR 87 HA THR 87 -1.968 9.473 0.997 679 HB THR 87 HB THR 87 -3.613 8.398 -0.502 680 HG1 THR 87 1HG THR 87 -3.393 10.140 -1.472 681 1HG2 THR 87 1HG2 THR 87 -5.725 9.721 1.255 682 2HG2 THR 87 2HG2 THR 87 -6.008 9.098 -0.377 683 3HG2 THR 87 3HG2 THR 87 -5.510 7.993 0.908 684 H ALA 88 H ALA 88 -3.710 11.658 1.049 685 HA ALA 88 HA ALA 88 -3.752 12.273 3.954 686 1HB ALA 88 1HB ALA 88 -2.119 13.599 2.773 687 2HB ALA 88 2HB ALA 88 -3.328 14.108 1.583 688 3HB ALA 88 3HB ALA 88 -3.471 14.636 3.273 689 H GLU 89 H GLU 89 -5.888 12.009 1.163 690 HA GLU 89 HA GLU 89 -7.941 13.620 2.489 691 1HB GLU 89 1HB GLU 89 -8.042 11.929 -0.044 692 2HB GLU 89 2HB GLU 89 -9.369 12.892 0.628 693 1HG GLU 89 1HG GLU 89 -7.602 14.862 0.566 694 2HG GLU 89 2HG GLU 89 -6.799 13.841 -0.625 695 H ALA 90 H ALA 90 -9.810 12.832 3.387 696 HA ALA 90 HA ALA 90 -9.846 9.982 4.324 697 1HB ALA 90 1HB ALA 90 -10.107 11.694 6.043 698 2HB ALA 90 2HB ALA 90 -11.447 12.443 5.188 699 3HB ALA 90 3HB ALA 90 -11.623 10.797 5.845 700 H LYS 91 H LYS 91 -12.462 12.156 3.570 701 HA LYS 91 HA LYS 91 -14.509 11.896 2.882 702 1HB LYS 91 1HB LYS 91 -13.394 12.164 0.693 703 2HB LYS 91 2HB LYS 91 -13.305 10.423 0.514 704 1HG LYS 91 1HG LYS 91 -15.136 11.226 -0.782 705 2HG LYS 91 2HG LYS 91 -15.824 10.356 0.584 706 1HD LYS 91 1HD LYS 91 -16.343 12.455 1.737 707 2HD LYS 91 2HD LYS 91 -15.519 13.400 0.487 708 1HE LYS 91 1HE LYS 91 -17.892 11.578 -0.087 709 2HE LYS 91 2HE LYS 91 -18.090 13.265 0.389 710 1HZ LYS 91 1HZ LYS 91 -18.132 12.937 -2.002 711 2HZ LYS 91 2HZ LYS 91 -16.915 13.954 -1.550 712 3HZ LYS 91 3HZ LYS 91 -16.568 12.433 -2.007 713 H LYS 92 H LYS 92 -15.720 10.701 4.276 714 HA LYS 92 HA LYS 92 -15.620 8.054 4.865 715 1HB LYS 92 1HB LYS 92 -18.203 9.595 4.424 716 2HB LYS 92 2HB LYS 92 -18.056 8.045 5.255 717 1HG LYS 92 1HG LYS 92 -16.590 9.065 6.962 718 2HG LYS 92 2HG LYS 92 -16.748 10.643 6.154 719 1HD LYS 92 1HD LYS 92 -19.152 10.659 6.505 720 2HD LYS 92 2HD LYS 92 -19.093 9.022 7.198 721 1HE LYS 92 1HE LYS 92 -17.696 9.825 9.053 722 2HE LYS 92 2HE LYS 92 -17.672 11.457 8.357 723 1HZ LYS 92 1HZ LYS 92 -20.040 11.578 8.666 724 2HZ LYS 92 2HZ LYS 92 -20.109 10.054 9.271 725 3HZ LYS 92 3HZ LYS 92 -19.337 11.257 10.104 726 H GLU 93 H GLU 93 -17.411 9.252 1.926 727 HA GLU 93 HA GLU 93 -18.166 6.675 1.074 728 1HB GLU 93 1HB GLU 93 -17.579 9.235 -0.435 729 2HB GLU 93 2HB GLU 93 -18.071 7.770 -1.290 730 1HG GLU 93 1HG GLU 93 -20.194 7.716 -0.356 731 2HG GLU 93 2HG GLU 93 -19.723 8.658 1.061 732 H ASN 94 H ASN 94 -14.932 8.158 0.797 733 HA ASN 94 HA ASN 94 -13.922 6.097 -1.031 734 1HB ASN 94 1HB ASN 94 -12.614 8.286 0.613 735 2HB ASN 94 2HB ASN 94 -11.674 6.975 -0.025 736 1HD2 ASN 94 1HD2 ASN 94 -14.155 7.569 -2.387 737 2HD2 ASN 94 2HD2 ASN 94 -13.048 8.475 -3.388 738 H ILE 95 H ILE 95 -14.101 6.652 2.511 739 HA ILE 95 HA ILE 95 -12.639 4.276 3.214 740 HB ILE 95 HB ILE 95 -14.697 5.925 4.710 741 1HG1 ILE 95 1HG1 ILE 95 -12.816 6.021 6.401 742 2HG1 ILE 95 2HG1 ILE 95 -11.770 5.297 5.193 743 1HG2 ILE 95 1HG2 ILE 95 -15.233 3.618 5.319 744 2HG2 ILE 95 2HG2 ILE 95 -13.527 3.266 5.623 745 3HG2 ILE 95 3HG2 ILE 95 -14.442 4.419 6.656 746 1HD1 ILE 95 1HD1 ILE 95 -11.497 7.748 5.296 747 2HD1 ILE 95 2HD1 ILE 95 -12.181 7.312 3.735 748 3HD1 ILE 95 3HD1 ILE 95 -13.221 7.984 5.005 749 H ILE 96 H ILE 96 -16.127 4.794 2.516 750 HA ILE 96 HA ILE 96 -16.910 2.070 2.714 751 HB ILE 96 HB ILE 96 -18.068 4.428 1.202 752 1HG1 ILE 96 1HG1 ILE 96 -20.116 3.658 2.623 753 2HG1 ILE 96 2HG1 ILE 96 -18.973 2.664 3.517 754 1HG2 ILE 96 1HG2 ILE 96 -18.496 2.549 -0.318 755 2HG2 ILE 96 2HG2 ILE 96 -19.146 1.592 1.038 756 3HG2 ILE 96 3HG2 ILE 96 -19.971 3.054 0.472 757 1HD1 ILE 96 1HD1 ILE 96 -19.487 4.842 4.593 758 2HD1 ILE 96 2HD1 ILE 96 -17.765 4.705 4.204 759 3HD1 ILE 96 3HD1 ILE 96 -18.852 5.691 3.180 760 H ALA 97 H ALA 97 -15.890 3.881 -0.280 761 HA ALA 97 HA ALA 97 -15.954 1.746 -2.025 762 1HB ALA 97 1HB ALA 97 -15.540 3.938 -2.903 763 2HB ALA 97 2HB ALA 97 -14.085 4.134 -1.935 764 3HB ALA 97 3HB ALA 97 -14.095 2.978 -3.269 765 H ALA 98 H ALA 98 -13.101 2.688 -0.018 766 HA ALA 98 HA ALA 98 -11.406 0.600 -0.957 767 1HB ALA 98 1HB ALA 98 -11.445 2.102 1.708 768 2HB ALA 98 2HB ALA 98 -10.136 1.024 1.174 769 3HB ALA 98 3HB ALA 98 -10.494 2.493 0.258 770 H ALA 99 H ALA 99 -13.666 0.689 1.901 771 HA ALA 99 HA ALA 99 -12.980 -1.971 2.738 772 1HB ALA 99 1HB ALA 99 -15.529 -0.323 3.164 773 2HB ALA 99 2HB ALA 99 -15.100 -1.800 4.044 774 3HB ALA 99 3HB ALA 99 -14.106 -0.344 4.228 775 H GLN 100 H GLN 100 -15.427 -0.731 0.479 776 HA GLN 100 HA GLN 100 -16.867 -3.137 -0.004 777 1HB GLN 100 1HB GLN 100 -16.433 -0.570 -1.586 778 2HB GLN 100 2HB GLN 100 -17.438 -1.864 -2.193 779 1HG GLN 100 1HG GLN 100 -17.899 -0.518 0.508 780 2HG GLN 100 2HG GLN 100 -18.662 -0.008 -0.998 781 1HE2 GLN 100 1HE2 GLN 100 -18.862 -2.151 1.682 782 2HE2 GLN 100 2HE2 GLN 100 -20.176 -3.122 1.116 783 H ALA 101 H ALA 101 -14.112 -1.639 -1.814 784 HA ALA 101 HA ALA 101 -13.811 -3.839 -3.632 785 1HB ALA 101 1HB ALA 101 -11.865 -1.721 -2.631 786 2HB ALA 101 2HB ALA 101 -11.610 -2.799 -4.035 787 3HB ALA 101 3HB ALA 101 -12.901 -1.584 -4.049 788 H GLY 102 H GLY 102 -12.959 -3.411 -0.296 789 1HA GLY 102 1HA GLY 102 -12.193 -4.904 1.262 790 2HA GLY 102 2HA GLY 102 -11.957 -6.123 0.011 791 H ALA 103 H ALA 103 -10.692 -2.765 0.391 792 HA ALA 103 HA ALA 103 -7.979 -3.406 -0.264 793 1HB ALA 103 1HB ALA 103 -8.761 -1.163 1.629 794 2HB ALA 103 2HB ALA 103 -7.457 -1.216 0.413 795 3HB ALA 103 3HB ALA 103 -9.150 -1.040 -0.081 796 H SER 104 H SER 104 -6.200 -3.834 1.159 797 HA SER 104 HA SER 104 -6.922 -5.490 3.386 798 1HB SER 104 1HB SER 104 -4.600 -5.858 3.623 799 2HB SER 104 2HB SER 104 -4.941 -5.790 1.908 800 HG SER 104 HG SER 104 -4.173 -3.604 1.927 801 H GLY 105 H GLY 105 -6.322 -2.049 3.095 802 1HA GLY 105 1HA GLY 105 -7.541 -1.481 5.484 803 2HA GLY 105 2HA GLY 105 -5.792 -1.412 5.818 804 H TYR 106 H TYR 106 -7.017 0.877 6.154 805 HA TYR 106 HA TYR 106 -6.134 2.536 3.873 806 1HB TYR 106 1HB TYR 106 -8.670 2.145 3.996 807 2HB TYR 106 2HB TYR 106 -8.654 3.039 5.502 808 HD1 TYR 106 1HD TYR 106 -6.336 4.866 3.420 809 HD2 TYR 106 2HD TYR 106 -10.530 3.866 3.727 810 HE1 TYR 106 1HE TYR 106 -6.901 6.868 2.183 811 HE2 TYR 106 2HE TYR 106 -11.072 5.907 2.411 812 HH TYR 106 HH TYR 106 -10.086 8.187 1.809 813 H VAL 107 H VAL 107 -5.018 4.333 4.554 814 HA VAL 107 HA VAL 107 -4.780 5.121 7.386 815 HB VAL 107 HB VAL 107 -2.652 4.516 5.294 816 1HG1 VAL 107 1HG1 VAL 107 -0.961 5.235 6.934 817 2HG1 VAL 107 2HG1 VAL 107 -2.022 6.564 6.474 818 3HG1 VAL 107 3HG1 VAL 107 -2.264 5.743 8.037 819 1HG2 VAL 107 1HG2 VAL 107 -1.713 2.943 6.930 820 2HG2 VAL 107 2HG2 VAL 107 -2.985 3.364 8.092 821 3HG2 VAL 107 3HG2 VAL 107 -3.384 2.505 6.581 822 H VAL 108 H VAL 108 -4.837 7.374 7.505 823 HA VAL 108 HA VAL 108 -4.766 8.932 5.008 824 HB VAL 108 HB VAL 108 -6.981 9.004 7.106 825 1HG1 VAL 108 1HG1 VAL 108 -6.445 10.825 4.730 826 2HG1 VAL 108 2HG1 VAL 108 -7.964 10.774 5.654 827 3HG1 VAL 108 3HG1 VAL 108 -6.476 11.280 6.448 828 1HG2 VAL 108 1HG2 VAL 108 -7.285 7.209 5.419 829 2HG2 VAL 108 2HG2 VAL 108 -8.446 8.515 5.153 830 3HG2 VAL 108 3HG2 VAL 108 -7.018 8.388 4.120 831 H LYS 109 H LYS 109 -3.831 10.960 5.367 832 HA LYS 109 HA LYS 109 -2.084 11.523 7.473 833 1HB LYS 109 1HB LYS 109 -2.168 12.818 5.399 834 2HB LYS 109 2HB LYS 109 -3.781 13.427 5.823 835 1HG LYS 109 1HG LYS 109 -2.745 14.626 7.781 836 2HG LYS 109 2HG LYS 109 -1.158 14.128 7.182 837 1HD LYS 109 1HD LYS 109 -1.578 15.263 5.051 838 2HD LYS 109 2HD LYS 109 -3.206 15.712 5.546 839 1HE LYS 109 1HE LYS 109 -0.810 16.577 7.191 840 2HE LYS 109 2HE LYS 109 -1.246 17.450 5.713 841 1HZ LYS 109 1HZ LYS 109 -3.145 17.014 7.931 842 2HZ LYS 109 2HZ LYS 109 -2.249 18.364 7.760 843 3HZ LYS 109 3HZ LYS 109 -3.359 17.970 6.615 844 HA PRO 110 HA PRO 110 -1.283 12.552 9.247 845 1HB PRO 110 1HB PRO 110 -1.119 12.392 11.943 846 2HB PRO 110 2HB PRO 110 -1.565 13.916 11.118 847 1HG PRO 110 1HG PRO 110 -3.409 11.872 12.395 848 2HG PRO 110 2HG PRO 110 -3.413 13.649 12.613 849 1HD PRO 110 1HD PRO 110 -5.048 12.353 10.836 850 2HD PRO 110 2HD PRO 110 -4.403 13.988 10.517 851 H PHE 111 H PHE 111 0.164 10.716 9.556 852 HA PHE 111 HA PHE 111 -0.928 8.333 10.867 853 1HB PHE 111 1HB PHE 111 -0.313 6.862 9.004 854 2HB PHE 111 2HB PHE 111 -1.645 7.938 8.632 855 HD1 PHE 111 1HD PHE 111 -1.588 9.351 6.733 856 HD2 PHE 111 2HD PHE 111 1.969 7.284 7.976 857 HE1 PHE 111 1HE PHE 111 -0.536 9.892 4.561 858 HE2 PHE 111 2HE PHE 111 3.031 7.828 5.806 859 HZ PHE 111 HZ PHE 111 1.799 9.134 4.099 860 H THR 112 H THR 112 0.589 7.002 11.755 861 HA THR 112 HA THR 112 3.457 7.707 11.556 862 HB THR 112 HB THR 112 3.211 7.465 14.189 863 HG1 THR 112 1HG THR 112 1.223 8.072 14.969 864 1HG2 THR 112 1HG2 THR 112 2.337 9.919 12.619 865 2HG2 THR 112 2HG2 THR 112 2.709 9.918 14.350 866 3HG2 THR 112 3HG2 THR 112 3.963 9.517 13.161 867 H ALA 113 H ALA 113 4.706 6.029 13.075 868 HA ALA 113 HA ALA 113 4.285 3.442 11.975 869 1HB ALA 113 1HB ALA 113 5.810 4.239 14.486 870 2HB ALA 113 2HB ALA 113 5.952 2.701 13.611 871 3HB ALA 113 3HB ALA 113 6.465 4.202 12.826 872 H ALA 114 H ALA 114 3.077 5.037 14.892 873 HA ALA 114 HA ALA 114 1.975 2.864 16.277 874 1HB ALA 114 1HB ALA 114 0.585 4.549 17.385 875 2HB ALA 114 2HB ALA 114 2.234 5.166 17.171 876 3HB ALA 114 3HB ALA 114 0.925 5.722 16.097 877 H THR 115 H THR 115 0.742 4.368 13.298 878 HA THR 115 HA THR 115 -1.724 2.735 13.587 879 HB THR 115 HB THR 115 -2.005 5.135 12.846 880 HG1 THR 115 1HG THR 115 -3.549 3.517 12.428 881 1HG2 THR 115 1HG2 THR 115 -0.863 4.186 10.191 882 2HG2 THR 115 2HG2 THR 115 -1.800 5.665 10.483 883 3HG2 THR 115 3HG2 THR 115 -0.237 5.474 11.246 884 H LEU 116 H LEU 116 1.241 3.171 11.628 885 HA LEU 116 HA LEU 116 0.758 1.336 9.614 886 1HB LEU 116 1HB LEU 116 2.780 2.955 10.124 887 2HB LEU 116 2HB LEU 116 3.467 1.565 10.941 888 HG LEU 116 HG LEU 116 4.455 1.586 8.850 889 1HD1 LEU 116 1HD1 LEU 116 2.132 -0.328 8.457 890 2HD1 LEU 116 2HD1 LEU 116 3.714 -0.406 7.703 891 3HD1 LEU 116 3HD1 LEU 116 3.577 -0.646 9.454 892 1HD2 LEU 116 1HD2 LEU 116 1.750 1.960 7.508 893 2HD2 LEU 116 2HD2 LEU 116 3.013 3.204 7.709 894 3HD2 LEU 116 3HD2 LEU 116 3.322 1.787 6.698 895 H GLU 117 H GLU 117 2.302 0.654 12.802 896 HA GLU 117 HA GLU 117 2.605 -2.116 12.411 897 1HB GLU 117 1HB GLU 117 3.210 -2.188 14.730 898 2HB GLU 117 2HB GLU 117 3.834 -0.717 14.015 899 1HG GLU 117 1HG GLU 117 3.053 0.255 15.887 900 2HG GLU 117 2HG GLU 117 1.528 0.306 15.015 901 H GLU 118 H GLU 118 -0.217 -0.292 13.419 902 HA GLU 118 HA GLU 118 -1.640 -2.564 14.573 903 1HB GLU 118 1HB GLU 118 -2.179 -0.375 15.417 904 2HB GLU 118 2HB GLU 118 -2.512 0.255 13.800 905 1HG GLU 118 1HG GLU 118 -4.438 -1.204 13.549 906 2HG GLU 118 2HG GLU 118 -4.085 -2.014 15.082 907 H LYS 119 H LYS 119 -1.648 -0.733 11.487 908 HA LYS 119 HA LYS 119 -3.787 -2.329 10.365 909 1HB LYS 119 1HB LYS 119 -1.761 -0.644 8.907 910 2HB LYS 119 2HB LYS 119 -3.321 -1.210 8.279 911 1HG LYS 119 1HG LYS 119 -3.127 0.662 10.674 912 2HG LYS 119 2HG LYS 119 -3.108 1.243 9.022 913 1HD LYS 119 1HD LYS 119 -5.342 0.430 8.633 914 2HD LYS 119 2HD LYS 119 -5.331 -0.478 10.157 915 1HE LYS 119 1HE LYS 119 -6.668 1.567 10.339 916 2HE LYS 119 2HE LYS 119 -5.324 1.540 11.479 917 1HZ LYS 119 1HZ LYS 119 -4.205 3.166 10.283 918 2HZ LYS 119 2HZ LYS 119 -5.158 2.961 8.913 919 3HZ LYS 119 3HZ LYS 119 -5.767 3.657 10.253 920 H LEU 120 H LEU 120 -0.233 -2.543 10.329 921 HA LEU 120 HA LEU 120 0.065 -4.830 8.644 922 1HB LEU 120 1HB LEU 120 1.615 -3.793 11.034 923 2HB LEU 120 2HB LEU 120 2.033 -5.320 10.276 924 HG LEU 120 HG LEU 120 2.041 -2.626 8.876 925 1HD1 LEU 120 1HD1 LEU 120 4.497 -2.879 8.928 926 2HD1 LEU 120 2HD1 LEU 120 3.850 -2.935 10.574 927 3HD1 LEU 120 3HD1 LEU 120 4.338 -4.433 9.766 928 1HD2 LEU 120 1HD2 LEU 120 3.279 -3.863 7.083 929 2HD2 LEU 120 2HD2 LEU 120 2.876 -5.384 7.913 930 3HD2 LEU 120 3HD2 LEU 120 1.594 -4.352 7.236 931 H ASN 121 H ASN 121 -0.277 -4.673 12.245 932 HA ASN 121 HA ASN 121 -0.603 -7.447 12.622 933 1HB ASN 121 1HB ASN 121 -0.135 -6.025 14.451 934 2HB ASN 121 2HB ASN 121 -1.593 -5.053 14.179 935 1HD2 ASN 121 1HD2 ASN 121 -3.195 -5.477 15.646 936 2HD2 ASN 121 2HD2 ASN 121 -3.389 -7.019 16.445 937 H LYS 122 H LYS 122 -3.024 -5.045 11.602 938 HA LYS 122 HA LYS 122 -5.291 -6.782 11.641 939 1HB LYS 122 1HB LYS 122 -4.741 -4.195 10.441 940 2HB LYS 122 2HB LYS 122 -5.498 -5.243 9.247 941 1HG LYS 122 1HG LYS 122 -7.330 -4.285 10.297 942 2HG LYS 122 2HG LYS 122 -7.207 -5.843 11.094 943 1HD LYS 122 1HD LYS 122 -7.408 -4.437 12.945 944 2HD LYS 122 2HD LYS 122 -5.657 -4.489 12.809 945 1HE LYS 122 1HE LYS 122 -6.019 -2.198 12.953 946 2HE LYS 122 2HE LYS 122 -5.938 -2.407 11.205 947 1HZ LYS 122 1HZ LYS 122 -7.834 -1.062 12.085 948 2HZ LYS 122 2HZ LYS 122 -8.328 -2.316 11.115 949 3HZ LYS 122 3HZ LYS 122 -8.472 -2.412 12.755 950 H ILE 123 H ILE 123 -3.159 -6.125 8.758 951 HA ILE 123 HA ILE 123 -4.445 -8.275 7.385 952 HB ILE 123 HB ILE 123 -2.629 -8.097 5.727 953 1HG1 ILE 123 1HG1 ILE 123 -1.403 -6.038 7.600 954 2HG1 ILE 123 2HG1 ILE 123 -0.717 -7.640 7.255 955 1HG2 ILE 123 1HG2 ILE 123 -4.588 -6.541 5.775 956 2HG2 ILE 123 2HG2 ILE 123 -3.594 -5.364 6.681 957 3HG2 ILE 123 3HG2 ILE 123 -3.139 -5.835 5.045 958 1HD1 ILE 123 1HD1 ILE 123 -1.069 -5.311 5.335 959 2HD1 ILE 123 2HD1 ILE 123 0.419 -6.051 5.936 960 3HD1 ILE 123 3HD1 ILE 123 -0.633 -6.971 4.836 961 H PHE 124 H PHE 124 -1.673 -8.324 9.559 962 HA PHE 124 HA PHE 124 -0.734 -10.931 8.992 963 1HB PHE 124 1HB PHE 124 -0.930 -9.378 11.573 964 2HB PHE 124 2HB PHE 124 -0.070 -10.885 11.418 965 HD1 PHE 124 1HD PHE 124 1.443 -8.836 12.588 966 HD2 PHE 124 2HD PHE 124 0.778 -9.431 8.380 967 HE1 PHE 124 1HE PHE 124 3.515 -7.607 12.084 968 HE2 PHE 124 2HE PHE 124 2.844 -8.206 7.872 969 HZ PHE 124 HZ PHE 124 4.230 -7.274 9.722 970 H GLU 125 H GLU 125 -3.256 -9.894 11.421 971 HA GLU 125 HA GLU 125 -3.890 -12.705 11.915 972 1HB GLU 125 1HB GLU 125 -5.322 -10.124 12.653 973 2HB GLU 125 2HB GLU 125 -5.804 -11.737 13.204 974 1HG GLU 125 1HG GLU 125 -3.585 -12.044 14.282 975 2HG GLU 125 2HG GLU 125 -3.102 -10.427 13.779 976 H LYS 126 H LYS 126 -5.373 -10.105 10.062 977 HA LYS 126 HA LYS 126 -7.783 -11.536 9.404 978 1HB LYS 126 1HB LYS 126 -7.969 -9.200 9.519 979 2HB LYS 126 2HB LYS 126 -6.602 -8.931 8.449 980 1HG LYS 126 1HG LYS 126 -8.789 -8.348 7.472 981 2HG LYS 126 2HG LYS 126 -7.756 -9.381 6.532 982 1HD LYS 126 1HD LYS 126 -9.210 -11.365 7.306 983 2HD LYS 126 2HD LYS 126 -10.311 -10.146 7.973 984 1HE LYS 126 1HE LYS 126 -10.502 -9.106 5.719 985 2HE LYS 126 2HE LYS 126 -9.337 -10.255 5.064 986 1HZ LYS 126 1HZ LYS 126 -10.891 -11.839 4.914 987 2HZ LYS 126 2HZ LYS 126 -11.579 -11.523 6.346 988 3HZ LYS 126 3HZ LYS 126 -11.993 -10.631 5.022 989 H LEU 127 H LEU 127 -5.334 -10.357 6.944 990 HA LEU 127 HA LEU 127 -6.183 -12.307 5.075 991 1HB LEU 127 1HB LEU 127 -3.448 -11.029 5.033 992 2HB LEU 127 2HB LEU 127 -4.435 -11.600 3.700 993 HG LEU 127 HG LEU 127 -4.819 -9.076 5.330 994 1HD1 LEU 127 1HD1 LEU 127 -4.479 -7.981 3.140 995 2HD1 LEU 127 2HD1 LEU 127 -3.096 -9.014 3.555 996 3HD1 LEU 127 3HD1 LEU 127 -4.284 -9.561 2.368 997 1HD2 LEU 127 1HD2 LEU 127 -6.645 -9.914 3.071 998 2HD2 LEU 127 2HD2 LEU 127 -7.046 -10.242 4.741 999 3HD2 LEU 127 3HD2 LEU 127 -6.832 -8.567 4.223 1000 H GLY 128 H GLY 128 -3.919 -12.450 7.720 1001 1HA GLY 128 1HA GLY 128 -2.992 -14.441 8.632 1002 2HA GLY 128 2HA GLY 128 -3.383 -15.299 7.145 1003 H MET 129 H MET 129 -1.819 -12.047 7.354 1004 HA MET 129 HA MET 129 0.245 -12.911 5.478 1005 1HB MET 129 2HB MET 129 -0.515 -10.356 6.831 1006 2HB MET 129 3HB MET 129 1.175 -10.537 6.408 1007 1HG MET 129 2HG MET 129 -1.169 -10.854 4.508 1008 2HG MET 129 3HG MET 129 -0.177 -9.413 4.671 1009 1HE MET 129 1HE MET 129 2.688 -9.714 4.381 1010 2HE MET 129 2HE MET 129 2.749 -11.368 5.052 1011 3HE MET 129 3HE MET 129 3.380 -11.051 3.433 Start of MODEL 22 1 1H MET 1 H MET 1 17.633 -19.688 0.729 2 2H MET 1 2HN MET 1 18.496 -19.264 -0.603 3 3H MET 1 3HN MET 1 17.968 -18.114 0.470 4 HA MET 1 HA MET 1 16.619 -18.085 -1.487 5 1HB MET 1 2HB MET 1 17.037 -20.841 -1.413 6 2HB MET 1 3HB MET 1 15.339 -20.694 -0.951 7 1HG MET 1 2HG MET 1 14.803 -19.526 -2.963 8 2HG MET 1 3HG MET 1 16.504 -19.174 -3.300 9 1HE MET 1 1HE MET 1 15.400 -21.293 -6.327 10 2HE MET 1 2HE MET 1 14.355 -20.225 -5.372 11 3HE MET 1 3HE MET 1 16.018 -19.728 -5.749 12 H ALA 2 H ALA 2 13.999 -18.480 -1.277 13 HA ALA 2 HA ALA 2 12.139 -17.737 -0.299 14 1HB ALA 2 1HB ALA 2 12.328 -20.006 0.705 15 2HB ALA 2 2HB ALA 2 13.114 -19.290 2.128 16 3HB ALA 2 3HB ALA 2 11.438 -18.864 1.719 17 H ASP 3 H ASP 3 13.283 -15.677 -0.545 18 HA ASP 3 HA ASP 3 14.995 -14.451 1.154 19 1HB ASP 3 1HB ASP 3 12.873 -13.071 -0.551 20 2HB ASP 3 2HB ASP 3 14.302 -12.295 0.128 21 H LYS 4 H LYS 4 14.716 -14.092 3.388 22 HA LYS 4 HA LYS 4 12.132 -13.193 4.461 23 1HB LYS 4 1HB LYS 4 14.809 -13.237 5.896 24 2HB LYS 4 2HB LYS 4 13.198 -13.130 6.605 25 1HG LYS 4 1HG LYS 4 12.682 -15.412 5.756 26 2HG LYS 4 2HG LYS 4 14.315 -15.512 5.079 27 1HD LYS 4 1HD LYS 4 15.318 -15.253 7.296 28 2HD LYS 4 2HD LYS 4 13.704 -15.094 8.027 29 1HE LYS 4 1HE LYS 4 13.130 -17.374 7.174 30 2HE LYS 4 2HE LYS 4 14.773 -17.536 6.533 31 1HZ LYS 4 1HZ LYS 4 15.616 -17.338 8.773 32 2HZ LYS 4 2HZ LYS 4 14.078 -17.124 9.367 33 3HZ LYS 4 3HZ LYS 4 14.506 -18.557 8.721 34 H GLU 5 H GLU 5 12.934 -11.576 2.422 35 HA GLU 5 HA GLU 5 13.555 -8.962 3.602 36 1HB GLU 5 1HB GLU 5 15.687 -10.251 2.832 37 2HB GLU 5 2HB GLU 5 15.123 -9.964 1.182 38 1HG GLU 5 1HG GLU 5 15.158 -7.535 1.588 39 2HG GLU 5 2HG GLU 5 15.535 -7.810 3.301 40 H LEU 6 H LEU 6 11.205 -10.228 2.773 41 HA LEU 6 HA LEU 6 10.203 -10.178 0.235 42 1HB LEU 6 1HB LEU 6 9.000 -10.938 2.245 43 2HB LEU 6 2HB LEU 6 8.929 -9.294 2.847 44 HG LEU 6 HG LEU 6 7.732 -9.077 0.295 45 1HD1 LEU 6 1HD1 LEU 6 6.245 -10.854 -0.061 46 2HD1 LEU 6 2HD1 LEU 6 7.763 -11.630 0.278 47 3HD1 LEU 6 3HD1 LEU 6 6.518 -11.541 1.548 48 1HD2 LEU 6 1HD2 LEU 6 5.688 -8.673 1.577 49 2HD2 LEU 6 2HD2 LEU 6 6.403 -9.467 2.996 50 3HD2 LEU 6 3HD2 LEU 6 7.078 -7.946 2.370 51 H LYS 7 H LYS 7 9.913 -8.650 -1.320 52 HA LYS 7 HA LYS 7 10.655 -5.937 -0.703 53 1HB LYS 7 1HB LYS 7 10.734 -7.331 -3.032 54 2HB LYS 7 2HB LYS 7 9.183 -6.555 -3.258 55 1HG LYS 7 1HG LYS 7 10.581 -4.935 -4.174 56 2HG LYS 7 2HG LYS 7 10.421 -4.345 -2.524 57 1HD LYS 7 1HD LYS 7 12.743 -4.189 -3.008 58 2HD LYS 7 2HD LYS 7 12.583 -5.623 -1.992 59 1HE LYS 7 1HE LYS 7 12.469 -6.994 -4.157 60 2HE LYS 7 2HE LYS 7 12.882 -5.516 -5.039 61 1HZ LYS 7 1HZ LYS 7 15.006 -5.484 -3.879 62 2HZ LYS 7 2HZ LYS 7 14.525 -6.743 -2.905 63 3HZ LYS 7 3HZ LYS 7 14.789 -6.972 -4.492 64 H PHE 8 H PHE 8 9.380 -4.295 -0.189 65 HA PHE 8 HA PHE 8 6.394 -4.537 -0.245 66 1HB PHE 8 1HB PHE 8 8.371 -2.735 1.144 67 2HB PHE 8 2HB PHE 8 6.807 -2.070 0.707 68 HD1 PHE 8 1HD PHE 8 8.081 -5.297 2.286 69 HD2 PHE 8 2HD PHE 8 5.287 -2.016 2.399 70 HE1 PHE 8 1HE PHE 8 7.012 -6.268 4.286 71 HE2 PHE 8 2HE PHE 8 4.216 -3.006 4.421 72 HZ PHE 8 HZ PHE 8 5.075 -5.148 5.344 73 H LEU 9 H LEU 9 5.227 -2.787 -1.417 74 HA LEU 9 HA LEU 9 6.869 -1.184 -3.269 75 1HB LEU 9 1HB LEU 9 5.615 -3.160 -4.416 76 2HB LEU 9 2HB LEU 9 4.134 -2.351 -3.908 77 HG LEU 9 HG LEU 9 5.100 -0.249 -5.129 78 1HD1 LEU 9 1HD1 LEU 9 7.396 -1.225 -5.426 79 2HD1 LEU 9 2HD1 LEU 9 6.708 -2.423 -6.530 80 3HD1 LEU 9 3HD1 LEU 9 6.658 -0.692 -6.938 81 1HD2 LEU 9 1HD2 LEU 9 4.219 -2.716 -6.674 82 2HD2 LEU 9 2HD2 LEU 9 3.161 -1.496 -5.932 83 3HD2 LEU 9 3HD2 LEU 9 4.206 -1.045 -7.288 84 H VAL 10 H VAL 10 6.315 0.948 -3.116 85 HA VAL 10 HA VAL 10 3.855 1.773 -1.647 86 HB VAL 10 HB VAL 10 6.738 2.780 -1.452 87 1HG1 VAL 10 1HG1 VAL 10 5.151 4.673 -1.268 88 2HG1 VAL 10 2HG1 VAL 10 4.252 3.828 -0.009 89 3HG1 VAL 10 3HG1 VAL 10 5.931 4.345 0.277 90 1HG2 VAL 10 1HG2 VAL 10 6.576 2.110 0.919 91 2HG2 VAL 10 2HG2 VAL 10 4.923 1.523 0.669 92 3HG2 VAL 10 3HG2 VAL 10 6.284 0.709 -0.125 93 H VAL 11 H VAL 11 2.589 2.554 -3.332 94 HA VAL 11 HA VAL 11 3.960 4.276 -5.317 95 HB VAL 11 HB VAL 11 1.418 2.744 -5.898 96 1HG1 VAL 11 1HG1 VAL 11 1.873 4.537 -7.503 97 2HG1 VAL 11 2HG1 VAL 11 3.561 4.009 -7.684 98 3HG1 VAL 11 3HG1 VAL 11 2.238 2.994 -8.243 99 1HG2 VAL 11 1HG2 VAL 11 3.033 1.148 -7.091 100 2HG2 VAL 11 2HG2 VAL 11 4.344 1.917 -6.204 101 3HG2 VAL 11 3HG2 VAL 11 3.048 1.045 -5.340 102 H ASP 12 H ASP 12 3.623 5.539 -3.118 103 HA ASP 12 HA ASP 12 1.063 6.882 -3.028 104 1HB ASP 12 1HB ASP 12 3.494 8.071 -1.760 105 2HB ASP 12 2HB ASP 12 1.813 8.259 -1.336 106 H ASP 13 H ASP 13 0.523 8.614 -4.316 107 HA ASP 13 HA ASP 13 2.063 9.267 -6.579 108 1HB ASP 13 1HB ASP 13 -0.369 9.554 -6.442 109 2HB ASP 13 2HB ASP 13 -0.173 10.867 -5.279 110 H PHE 14 H PHE 14 1.698 11.056 -3.542 111 HA PHE 14 HA PHE 14 3.472 13.228 -4.372 112 1HB PHE 14 1HB PHE 14 1.549 13.505 -2.787 113 2HB PHE 14 2HB PHE 14 2.306 12.413 -1.670 114 HD1 PHE 14 1HD PHE 14 3.560 15.388 -3.676 115 HD2 PHE 14 2HD PHE 14 3.013 13.636 0.247 116 HE1 PHE 14 1HE PHE 14 4.611 17.358 -2.634 117 HE2 PHE 14 2HE PHE 14 4.062 15.622 1.265 118 HZ PHE 14 HZ PHE 14 4.841 17.501 -0.174 119 H SER 15 H SER 15 5.666 12.488 -4.731 120 HA SER 15 HA SER 15 6.634 10.172 -3.619 121 1HB SER 15 1HB SER 15 7.577 11.438 -5.568 122 2HB SER 15 2HB SER 15 8.413 12.494 -4.415 123 HG SER 15 HG SER 15 8.882 9.857 -5.157 124 H THR 16 H THR 16 6.883 13.421 -2.031 125 HA THR 16 HA THR 16 8.604 12.656 0.059 126 HB THR 16 HB THR 16 6.266 14.586 0.017 127 HG1 THR 16 1HG THR 16 7.933 16.084 -0.242 128 1HG2 THR 16 1HG2 THR 16 8.460 14.260 2.106 129 2HG2 THR 16 2HG2 THR 16 7.420 15.686 1.978 130 3HG2 THR 16 3HG2 THR 16 6.700 14.132 2.354 131 H MET 17 H MET 17 5.151 11.911 -0.414 132 HA MET 17 HA MET 17 4.525 10.914 2.181 133 1HB MET 17 1HB MET 17 3.057 11.440 0.047 134 2HB MET 17 2HB MET 17 3.450 9.790 -0.401 135 1HG MET 17 1HG MET 17 1.519 9.397 0.650 136 2HG MET 17 2HG MET 17 2.582 9.322 2.060 137 1HE MET 17 1HE MET 17 -0.611 10.581 0.626 138 2HE MET 17 2HE MET 17 -0.739 12.313 0.994 139 3HE MET 17 3HE MET 17 0.432 11.739 -0.215 140 H ARG 18 H ARG 18 6.153 9.480 -0.764 141 HA ARG 18 HA ARG 18 6.050 6.802 0.257 142 1HB ARG 18 1HB ARG 18 7.934 8.030 -1.825 143 2HB ARG 18 2HB ARG 18 7.665 6.313 -1.508 144 1HG ARG 18 1HG ARG 18 5.203 6.751 -2.022 145 2HG ARG 18 2HG ARG 18 5.704 8.315 -2.688 146 1HD ARG 18 1HD ARG 18 6.707 5.572 -3.518 147 2HD ARG 18 2HD ARG 18 5.452 6.469 -4.359 148 HE ARG 18 HE ARG 18 8.354 6.860 -4.371 149 1HH1 ARG 18 2HH2 ARG 18 5.275 8.368 -5.298 150 2HH1 ARG 18 1HH2 ARG 18 5.812 8.821 -6.861 151 1HH2 ARG 18 2HH1 ARG 18 8.993 7.348 -6.467 152 2HH2 ARG 18 1HH1 ARG 18 8.158 8.533 -7.422 153 H ARG 19 H ARG 19 8.433 9.443 0.316 154 HA ARG 19 HA ARG 19 10.514 7.975 1.673 155 1HB ARG 19 1HB ARG 19 9.807 10.923 1.494 156 2HB ARG 19 2HB ARG 19 10.968 10.364 2.693 157 1HG ARG 19 1HG ARG 19 12.246 11.049 0.894 158 2HG ARG 19 2HG ARG 19 12.304 9.289 0.893 159 1HD ARG 19 1HD ARG 19 10.853 9.161 -1.040 160 2HD ARG 19 2HD ARG 19 10.451 10.890 -0.904 161 HE ARG 19 HE ARG 19 13.307 10.250 -1.178 162 1HH1 ARG 19 2HH2 ARG 19 10.470 11.116 -3.205 163 2HH1 ARG 19 1HH2 ARG 19 11.395 12.197 -4.153 164 1HH2 ARG 19 2HH1 ARG 19 14.444 11.661 -2.452 165 2HH2 ARG 19 1HH1 ARG 19 13.645 12.580 -3.687 166 H ILE 20 H ILE 20 7.724 9.853 2.938 167 HA ILE 20 HA ILE 20 8.321 9.432 5.676 168 HB ILE 20 HB ILE 20 5.967 10.378 4.107 169 1HG1 ILE 20 1HG1 ILE 20 6.008 12.121 5.922 170 2HG1 ILE 20 2HG1 ILE 20 7.354 11.268 6.672 171 1HG2 ILE 20 1HG2 ILE 20 4.832 8.741 5.518 172 2HG2 ILE 20 2HG2 ILE 20 5.662 9.368 6.960 173 3HG2 ILE 20 3HG2 ILE 20 4.484 10.372 6.074 174 1HD1 ILE 20 1HD1 ILE 20 7.336 12.646 3.966 175 2HD1 ILE 20 2HD1 ILE 20 8.147 13.208 5.426 176 3HD1 ILE 20 3HD1 ILE 20 8.733 11.750 4.613 177 H VAL 21 H VAL 21 6.009 7.565 3.606 178 HA VAL 21 HA VAL 21 5.466 5.516 5.418 179 HB VAL 21 HB VAL 21 5.536 5.557 2.382 180 1HG1 VAL 21 1HG1 VAL 21 4.397 3.404 4.229 181 2HG1 VAL 21 2HG1 VAL 21 4.025 3.569 2.493 182 3HG1 VAL 21 3HG1 VAL 21 5.670 3.209 2.996 183 1HG2 VAL 21 1HG2 VAL 21 3.249 5.707 4.415 184 2HG2 VAL 21 2HG2 VAL 21 3.878 7.068 3.448 185 3HG2 VAL 21 3HG2 VAL 21 3.097 5.725 2.642 186 H ARG 22 H ARG 22 8.107 5.541 2.948 187 HA ARG 22 HA ARG 22 9.090 2.986 3.613 188 1HB ARG 22 1HB ARG 22 9.618 4.388 1.575 189 2HB ARG 22 2HB ARG 22 10.747 5.327 2.558 190 1HG ARG 22 1HG ARG 22 10.915 2.319 2.488 191 2HG ARG 22 2HG ARG 22 11.477 3.207 1.072 192 1HD ARG 22 1HD ARG 22 12.578 3.504 3.899 193 2HD ARG 22 2HD ARG 22 13.268 2.510 2.611 194 HE ARG 22 HE ARG 22 12.895 5.241 1.759 195 1HH1 ARG 22 2HH2 ARG 22 15.138 3.028 3.387 196 2HH1 ARG 22 1HH2 ARG 22 16.461 4.140 3.422 197 1HH2 ARG 22 2HH1 ARG 22 14.765 6.609 1.521 198 2HH2 ARG 22 1HH1 ARG 22 16.239 6.220 2.324 199 H ASN 23 H ASN 23 9.924 6.195 4.977 200 HA ASN 23 HA ASN 23 11.975 5.235 6.718 201 1HB ASN 23 1HB ASN 23 11.783 7.571 6.169 202 2HB ASN 23 2HB ASN 23 10.199 7.672 6.912 203 1HD2 ASN 23 1HD2 ASN 23 10.179 8.312 9.088 204 2HD2 ASN 23 2HD2 ASN 23 11.550 8.187 10.169 205 H LEU 24 H LEU 24 8.442 5.678 7.221 206 HA LEU 24 HA LEU 24 8.362 4.933 9.989 207 1HB LEU 24 1HB LEU 24 6.289 4.606 7.776 208 2HB LEU 24 2HB LEU 24 5.952 4.332 9.477 209 HG LEU 24 HG LEU 24 6.973 7.016 8.500 210 1HD1 LEU 24 1HD1 LEU 24 5.017 6.671 7.185 211 2HD1 LEU 24 2HD1 LEU 24 4.156 5.942 8.542 212 3HD1 LEU 24 3HD1 LEU 24 4.511 7.689 8.538 213 1HD2 LEU 24 1HD2 LEU 24 5.892 7.890 10.502 214 2HD2 LEU 24 2HD2 LEU 24 5.326 6.257 10.888 215 3HD2 LEU 24 3HD2 LEU 24 7.058 6.622 10.930 216 H LEU 25 H LEU 25 8.054 3.042 6.996 217 HA LEU 25 HA LEU 25 7.600 0.479 8.079 218 1HB LEU 25 1HB LEU 25 8.850 1.591 5.570 219 2HB LEU 25 2HB LEU 25 9.013 -0.116 5.870 220 HG LEU 25 HG LEU 25 6.292 1.239 6.035 221 1HD1 LEU 25 1HD1 LEU 25 7.215 1.707 3.796 222 2HD1 LEU 25 2HD1 LEU 25 7.422 -0.037 3.525 223 3HD1 LEU 25 3HD1 LEU 25 5.800 0.656 3.749 224 1HD2 LEU 25 1HD2 LEU 25 7.007 -1.636 5.320 225 2HD2 LEU 25 2HD2 LEU 25 6.570 -1.111 6.949 226 3HD2 LEU 25 3HD2 LEU 25 5.391 -0.980 5.627 227 H LYS 26 H LYS 26 10.773 1.875 7.042 228 HA LYS 26 HA LYS 26 12.192 -0.347 8.156 229 1HB LYS 26 1HB LYS 26 14.195 0.862 7.827 230 2HB LYS 26 2HB LYS 26 13.156 1.003 6.396 231 1HG LYS 26 1HG LYS 26 12.434 3.197 7.065 232 2HG LYS 26 2HG LYS 26 13.353 3.137 8.552 233 1HD LYS 26 1HD LYS 26 14.343 3.375 5.707 234 2HD LYS 26 2HD LYS 26 14.607 4.516 7.022 235 1HE LYS 26 1HE LYS 26 15.738 1.695 6.919 236 2HE LYS 26 2HE LYS 26 16.611 3.086 6.316 237 1HZ LYS 26 1HZ LYS 26 16.723 3.967 8.516 238 2HZ LYS 26 2HZ LYS 26 15.773 2.775 9.143 239 3HZ LYS 26 3HZ LYS 26 17.263 2.438 8.553 240 H GLU 27 H GLU 27 10.932 2.589 9.800 241 HA GLU 27 HA GLU 27 12.699 2.371 12.005 242 1HB GLU 27 1HB GLU 27 11.557 4.046 12.885 243 2HB GLU 27 2HB GLU 27 10.883 4.207 11.297 244 1HG GLU 27 1HG GLU 27 8.920 4.249 12.270 245 2HG GLU 27 2HG GLU 27 9.049 2.540 12.596 246 H LEU 28 H LEU 28 9.709 0.676 11.149 247 HA LEU 28 HA LEU 28 9.625 -0.872 13.639 248 1HB LEU 28 1HB LEU 28 8.069 -0.941 11.041 249 2HB LEU 28 2HB LEU 28 7.772 -2.070 12.363 250 HG LEU 28 HG LEU 28 7.635 0.948 12.742 251 1HD1 LEU 28 1HD1 LEU 28 5.214 0.740 12.512 252 2HD1 LEU 28 2HD1 LEU 28 6.091 0.366 11.019 253 3HD1 LEU 28 3HD1 LEU 28 5.409 -0.960 12.009 254 1HD2 LEU 28 1HD2 LEU 28 7.830 -0.286 14.841 255 2HD2 LEU 28 2HD2 LEU 28 6.211 0.378 14.679 256 3HD2 LEU 28 3HD2 LEU 28 6.489 -1.352 14.374 257 H GLY 29 H GLY 29 10.534 -1.449 10.212 258 1HA GLY 29 1HA GLY 29 12.827 -2.813 10.777 259 2HA GLY 29 2HA GLY 29 11.610 -4.093 10.813 260 H PHE 30 H PHE 30 10.052 -2.662 8.524 261 HA PHE 30 HA PHE 30 11.378 -4.263 6.504 262 1HB PHE 30 1HB PHE 30 8.952 -2.451 6.418 263 2HB PHE 30 2HB PHE 30 9.527 -3.355 5.022 264 HD1 PHE 30 1HD PHE 30 7.019 -3.445 7.325 265 HD2 PHE 30 2HD PHE 30 10.139 -6.014 5.816 266 HE1 PHE 30 1HE PHE 30 5.698 -5.449 7.959 267 HE2 PHE 30 2HE PHE 30 8.809 -7.990 6.427 268 HZ PHE 30 HZ PHE 30 6.571 -7.714 7.502 269 H ASN 31 H ASN 31 13.324 -3.510 5.769 270 HA ASN 31 HA ASN 31 13.647 -0.662 5.062 271 1HB ASN 31 1HB ASN 31 15.549 -3.040 4.949 272 2HB ASN 31 2HB ASN 31 15.946 -1.454 4.289 273 1HD2 ASN 31 1HD2 ASN 31 15.426 -3.235 7.306 274 2HD2 ASN 31 2HD2 ASN 31 15.816 -1.892 8.364 275 H ASN 32 H ASN 32 12.832 -3.540 3.488 276 HA ASN 32 HA ASN 32 14.062 -2.706 0.921 277 1HB ASN 32 1HB ASN 32 13.107 -5.445 1.794 278 2HB ASN 32 2HB ASN 32 13.848 -5.051 0.240 279 1HD2 ASN 32 1HD2 ASN 32 14.503 -5.546 3.663 280 2HD2 ASN 32 2HD2 ASN 32 16.192 -5.137 3.644 281 H VAL 33 H VAL 33 12.586 -1.118 0.686 282 HA VAL 33 HA VAL 33 9.817 -1.782 -0.076 283 HB VAL 33 HB VAL 33 11.107 0.609 1.272 284 1HG1 VAL 33 1HG1 VAL 33 8.792 1.367 1.734 285 2HG1 VAL 33 2HG1 VAL 33 9.074 1.220 -0.002 286 3HG1 VAL 33 3HG1 VAL 33 8.170 -0.044 0.855 287 1HG2 VAL 33 1HG2 VAL 33 9.320 -1.457 2.622 288 2HG2 VAL 33 2HG2 VAL 33 11.057 -1.294 2.866 289 3HG2 VAL 33 3HG2 VAL 33 9.992 0.003 3.355 290 H GLU 34 H GLU 34 9.646 -1.633 -2.199 291 HA GLU 34 HA GLU 34 11.114 0.340 -3.816 292 1HB GLU 34 1HB GLU 34 9.467 -2.167 -4.317 293 2HB GLU 34 2HB GLU 34 9.711 -1.041 -5.639 294 1HG GLU 34 1HG GLU 34 11.927 -2.399 -4.110 295 2HG GLU 34 2HG GLU 34 11.333 -2.845 -5.715 296 H GLU 35 H GLU 35 9.258 0.766 -5.723 297 HA GLU 35 HA GLU 35 6.813 1.947 -5.036 298 1HB GLU 35 1HB GLU 35 7.666 4.304 -5.323 299 2HB GLU 35 2HB GLU 35 8.099 3.594 -3.769 300 1HG GLU 35 1HG GLU 35 10.329 3.513 -4.219 301 2HG GLU 35 2HG GLU 35 10.110 3.351 -5.964 302 H ALA 36 H ALA 36 6.485 3.604 -7.057 303 HA ALA 36 HA ALA 36 7.627 2.373 -9.480 304 1HB ALA 36 1HB ALA 36 5.695 0.938 -8.578 305 2HB ALA 36 2HB ALA 36 4.635 2.330 -8.872 306 3HB ALA 36 3HB ALA 36 5.475 1.545 -10.211 307 H GLU 37 H GLU 37 6.484 3.529 -11.460 308 HA GLU 37 HA GLU 37 6.706 6.349 -11.132 309 1HB GLU 37 1HB GLU 37 5.307 4.672 -13.257 310 2HB GLU 37 2HB GLU 37 5.662 6.378 -13.415 311 1HG GLU 37 1HG GLU 37 8.059 4.730 -12.723 312 2HG GLU 37 2HG GLU 37 7.285 4.275 -14.227 313 H ASP 38 H ASP 38 3.870 4.119 -10.917 314 HA ASP 38 HA ASP 38 1.910 6.083 -10.238 315 1HB ASP 38 1HB ASP 38 2.697 5.918 -13.022 316 2HB ASP 38 2HB ASP 38 1.246 4.960 -12.906 317 H GLY 39 H GLY 39 -0.279 4.813 -10.206 318 1HA GLY 39 1HA GLY 39 -0.142 2.158 -9.430 319 2HA GLY 39 2HA GLY 39 -1.569 2.922 -10.145 320 H VAL 40 H VAL 40 -0.305 3.453 -12.724 321 HA VAL 40 HA VAL 40 -0.852 1.100 -14.164 322 HB VAL 40 HB VAL 40 0.990 3.362 -15.058 323 1HG1 VAL 40 1HG1 VAL 40 0.755 1.409 -16.571 324 2HG1 VAL 40 2HG1 VAL 40 -1.008 1.620 -16.566 325 3HG1 VAL 40 3HG1 VAL 40 0.056 2.865 -17.270 326 1HG2 VAL 40 1HG2 VAL 40 -1.092 4.504 -15.881 327 2HG2 VAL 40 2HG2 VAL 40 -2.054 3.370 -14.915 328 3HG2 VAL 40 3HG2 VAL 40 -0.939 4.516 -14.135 329 H ASP 41 H ASP 41 2.258 2.431 -12.975 330 HA ASP 41 HA ASP 41 3.864 0.274 -14.105 331 1HB ASP 41 1HB ASP 41 4.727 2.574 -13.787 332 2HB ASP 41 2HB ASP 41 4.483 2.441 -12.060 333 H ALA 42 H ALA 42 2.104 0.980 -11.066 334 HA ALA 42 HA ALA 42 3.456 -0.817 -9.371 335 1HB ALA 42 1HB ALA 42 1.661 0.932 -8.751 336 2HB ALA 42 2HB ALA 42 0.467 -0.265 -9.249 337 3HB ALA 42 3HB ALA 42 1.567 -0.645 -7.925 338 H LEU 43 H LEU 43 0.575 -1.270 -11.462 339 HA LEU 43 HA LEU 43 0.098 -3.968 -10.834 340 1HB LEU 43 1HB LEU 43 -1.253 -2.202 -12.253 341 2HB LEU 43 2HB LEU 43 -0.343 -2.851 -13.606 342 HG LEU 43 HG LEU 43 -1.213 -5.177 -12.788 343 1HD1 LEU 43 1HD1 LEU 43 -3.339 -3.467 -11.455 344 2HD1 LEU 43 2HD1 LEU 43 -3.273 -5.233 -11.547 345 3HD1 LEU 43 3HD1 LEU 43 -2.091 -4.359 -10.564 346 1HD2 LEU 43 1HD2 LEU 43 -3.368 -4.892 -13.996 347 2HD2 LEU 43 2HD2 LEU 43 -3.197 -3.125 -13.877 348 3HD2 LEU 43 3HD2 LEU 43 -2.058 -4.068 -14.845 349 H ASN 44 H ASN 44 2.231 -2.599 -13.344 350 HA ASN 44 HA ASN 44 3.190 -5.080 -14.361 351 1HB ASN 44 1HB ASN 44 3.461 -3.001 -15.622 352 2HB ASN 44 2HB ASN 44 4.601 -2.401 -14.410 353 1HD2 ASN 44 1HD2 ASN 44 4.045 -5.185 -16.665 354 2HD2 ASN 44 2HD2 ASN 44 5.726 -5.652 -16.785 355 H LYS 45 H LYS 45 4.370 -3.048 -11.633 356 HA LYS 45 HA LYS 45 6.668 -4.627 -10.980 357 1HB LYS 45 1HB LYS 45 4.827 -3.177 -9.038 358 2HB LYS 45 2HB LYS 45 6.393 -3.814 -8.660 359 1HG LYS 45 1HG LYS 45 6.232 -1.818 -10.909 360 2HG LYS 45 2HG LYS 45 5.968 -1.246 -9.266 361 1HD LYS 45 1HD LYS 45 8.121 -2.123 -8.553 362 2HD LYS 45 2HD LYS 45 8.418 -2.814 -10.158 363 1HE LYS 45 1HE LYS 45 7.995 0.155 -9.593 364 2HE LYS 45 2HE LYS 45 9.577 -0.627 -9.657 365 1HZ LYS 45 1HZ LYS 45 9.112 -1.262 -11.946 366 2HZ LYS 45 2HZ LYS 45 7.678 -0.438 -11.925 367 3HZ LYS 45 3HZ LYS 45 9.077 0.368 -11.731 368 H LEU 46 H LEU 46 3.205 -4.967 -9.988 369 HA LEU 46 HA LEU 46 3.750 -7.034 -8.133 370 1HB LEU 46 1HB LEU 46 1.143 -7.203 -9.658 371 2HB LEU 46 2HB LEU 46 1.455 -7.492 -7.957 372 HG LEU 46 HG LEU 46 1.287 -4.875 -9.406 373 1HD1 LEU 46 1HD1 LEU 46 -0.818 -6.058 -9.040 374 2HD1 LEU 46 2HD1 LEU 46 -0.535 -5.954 -7.285 375 3HD1 LEU 46 3HD1 LEU 46 -0.702 -4.473 -8.269 376 1HD2 LEU 46 1HD2 LEU 46 1.387 -3.769 -7.167 377 2HD2 LEU 46 2HD2 LEU 46 1.879 -5.342 -6.467 378 3HD2 LEU 46 3HD2 LEU 46 2.912 -4.499 -7.621 379 H GLN 47 H GLN 47 2.745 -7.196 -11.581 380 HA GLN 47 HA GLN 47 3.133 -10.083 -11.623 381 1HB GLN 47 1HB GLN 47 2.529 -10.005 -13.950 382 2HB GLN 47 2HB GLN 47 1.421 -9.083 -12.944 383 1HG GLN 47 1HG GLN 47 2.829 -7.011 -13.616 384 2HG GLN 47 2HG GLN 47 3.519 -8.027 -14.873 385 1HE2 GLN 47 1HE2 GLN 47 0.258 -7.117 -13.509 386 2HE2 GLN 47 2HE2 GLN 47 -0.519 -7.148 -15.096 387 H ALA 48 H ALA 48 5.508 -8.721 -10.733 388 HA ALA 48 HA ALA 48 7.421 -9.947 -12.678 389 1HB ALA 48 1HB ALA 48 7.984 -8.255 -10.205 390 2HB ALA 48 2HB ALA 48 9.181 -8.946 -11.316 391 3HB ALA 48 3HB ALA 48 8.076 -7.677 -11.883 392 H GLY 49 H GLY 49 6.369 -9.766 -9.267 393 1HA GLY 49 1HA GLY 49 5.777 -11.729 -7.977 394 2HA GLY 49 2HA GLY 49 7.027 -12.641 -8.828 395 H GLY 50 H GLY 50 6.778 -12.229 -5.885 396 1HA GLY 50 1HA GLY 50 8.544 -12.342 -4.357 397 2HA GLY 50 2HA GLY 50 9.587 -11.421 -5.434 398 H TYR 51 H TYR 51 6.838 -9.637 -5.449 399 HA TYR 51 HA TYR 51 7.496 -7.959 -3.129 400 1HB TYR 51 1HB TYR 51 5.133 -7.918 -5.068 401 2HB TYR 51 2HB TYR 51 5.420 -6.747 -3.789 402 HD1 TYR 51 1HD TYR 51 6.518 -7.926 -7.114 403 HD2 TYR 51 2HD TYR 51 7.189 -5.054 -3.955 404 HE1 TYR 51 1HE TYR 51 8.030 -6.674 -8.581 405 HE2 TYR 51 2HE TYR 51 8.680 -3.775 -5.457 406 HH TYR 51 HH TYR 51 9.307 -4.789 -8.826 407 H GLY 52 H GLY 52 5.955 -7.786 -1.406 408 1HA GLY 52 1HA GLY 52 3.725 -9.811 -1.429 409 2HA GLY 52 2HA GLY 52 4.663 -9.575 0.016 410 H PHE 53 H PHE 53 4.294 -6.511 -1.558 411 HA PHE 53 HA PHE 53 1.832 -5.882 -0.095 412 1HB PHE 53 1HB PHE 53 4.574 -5.177 0.787 413 2HB PHE 53 2HB PHE 53 3.545 -3.776 0.584 414 HD1 PHE 53 1HD PHE 53 4.096 -6.861 2.512 415 HD2 PHE 53 2HD PHE 53 1.523 -3.453 1.930 416 HE1 PHE 53 1HE PHE 53 3.024 -7.301 4.703 417 HE2 PHE 53 2HE PHE 53 0.461 -3.871 4.104 418 HZ PHE 53 HZ PHE 53 1.212 -5.835 5.512 419 H VAL 54 H VAL 54 0.674 -4.205 -0.940 420 HA VAL 54 HA VAL 54 1.900 -2.644 -3.144 421 HB VAL 54 HB VAL 54 -0.903 -3.832 -3.273 422 1HG1 VAL 54 1HG1 VAL 54 -0.584 -1.917 -4.760 423 2HG1 VAL 54 2HG1 VAL 54 0.963 -2.588 -5.341 424 3HG1 VAL 54 3HG1 VAL 54 -0.564 -3.392 -5.728 425 1HG2 VAL 54 1HG2 VAL 54 0.202 -5.351 -5.014 426 2HG2 VAL 54 2HG2 VAL 54 1.737 -4.959 -4.243 427 3HG2 VAL 54 3HG2 VAL 54 0.437 -5.747 -3.310 428 H ILE 55 H ILE 55 2.232 -1.156 -1.425 429 HA ILE 55 HA ILE 55 -0.083 0.118 -0.186 430 HB ILE 55 HB ILE 55 2.826 0.955 -0.022 431 1HG1 ILE 55 1HG1 ILE 55 1.360 -1.188 1.522 432 2HG1 ILE 55 2HG1 ILE 55 2.891 -1.322 0.675 433 1HG2 ILE 55 1HG2 ILE 55 1.141 2.611 0.695 434 2HG2 ILE 55 2HG2 ILE 55 0.489 1.410 1.839 435 3HG2 ILE 55 3HG2 ILE 55 2.141 2.075 2.026 436 1HD1 ILE 55 1HD1 ILE 55 4.017 0.000 2.394 437 2HD1 ILE 55 2HD1 ILE 55 2.484 0.194 3.285 438 3HD1 ILE 55 3HD1 ILE 55 3.179 -1.410 3.084 439 H SER 56 H SER 56 -0.878 2.159 -0.900 440 HA SER 56 HA SER 56 0.284 3.377 -3.347 441 1HB SER 56 1HB SER 56 -1.135 1.404 -3.976 442 2HB SER 56 2HB SER 56 -2.460 2.075 -3.024 443 HG SER 56 HG SER 56 -2.487 3.860 -4.532 444 H ASP 57 H ASP 57 -0.462 5.560 -3.600 445 HA ASP 57 HA ASP 57 -2.274 6.626 -1.482 446 1HB ASP 57 1HB ASP 57 -0.511 8.117 -2.662 447 2HB ASP 57 2HB ASP 57 -1.637 8.166 -4.011 448 H TRP 58 H TRP 58 -4.303 7.633 -2.311 449 HA TRP 58 HA TRP 58 -5.902 5.898 -4.086 450 1HB TRP 58 1HB TRP 58 -6.685 6.923 -1.870 451 2HB TRP 58 2HB TRP 58 -6.587 8.500 -2.609 452 HD1 TRP 58 HD TRP 58 -8.251 8.618 -5.046 453 HE1 TRP 58 1HE TRP 58 -10.595 7.654 -5.333 454 HE3 TRP 58 3HE TRP 58 -8.183 5.279 -1.226 455 HZ2 TRP 58 2HZ TRP 58 -12.378 5.888 -3.839 456 HZ3 TRP 58 3HZ TRP 58 -10.204 3.965 -0.666 457 HH2 TRP 58 HH TRP 58 -12.238 4.212 -1.945 458 H ASN 59 H ASN 59 -4.691 9.247 -3.702 459 HA ASN 59 HA ASN 59 -6.161 9.989 -6.115 460 1HB ASN 59 1HB ASN 59 -6.094 11.141 -3.735 461 2HB ASN 59 2HB ASN 59 -4.681 11.969 -4.379 462 1HD2 ASN 59 1HD2 ASN 59 -8.187 11.772 -4.360 463 2HD2 ASN 59 2HD2 ASN 59 -8.456 13.019 -5.536 464 H MET 60 H MET 60 -4.914 9.046 -7.762 465 HA MET 60 HA MET 60 -2.334 10.379 -8.371 466 1HB MET 60 1HB MET 60 -1.390 8.250 -9.057 467 2HB MET 60 2HB MET 60 -1.854 8.218 -7.362 468 1HG MET 60 1HG MET 60 -3.816 6.879 -7.892 469 2HG MET 60 2HG MET 60 -3.469 7.025 -9.622 470 1HE MET 60 1HE MET 60 -0.809 4.591 -6.686 471 2HE MET 60 2HE MET 60 -0.580 6.343 -6.858 472 3HE MET 60 3HE MET 60 -2.102 5.707 -6.195 473 HA PRO 61 HA PRO 61 -4.222 10.679 -12.406 474 1HB PRO 61 1HB PRO 61 -2.136 10.735 -14.150 475 2HB PRO 61 2HB PRO 61 -2.415 12.045 -12.965 476 1HG PRO 61 1HG PRO 61 -0.530 9.687 -12.741 477 2HG PRO 61 2HG PRO 61 -0.169 11.417 -12.441 478 1HD PRO 61 1HD PRO 61 -0.785 9.663 -10.444 479 2HD PRO 61 2HD PRO 61 -1.273 11.373 -10.361 480 H ASN 62 H ASN 62 -4.247 9.619 -14.570 481 HA ASN 62 HA ASN 62 -4.653 7.945 -15.949 482 1HB ASN 62 1HB ASN 62 -2.199 6.652 -14.723 483 2HB ASN 62 2HB ASN 62 -2.994 6.163 -16.228 484 1HD2 ASN 62 1HD2 ASN 62 -0.487 8.060 -14.990 485 2HD2 ASN 62 2HD2 ASN 62 -0.336 9.187 -16.336 486 H MET 63 H MET 63 -3.525 5.567 -13.599 487 HA MET 63 HA MET 63 -6.292 4.494 -13.343 488 1HB MET 63 1HB MET 63 -4.781 2.829 -14.169 489 2HB MET 63 2HB MET 63 -3.563 3.203 -12.940 490 1HG MET 63 1HG MET 63 -4.875 2.296 -11.189 491 2HG MET 63 2HG MET 63 -6.344 2.297 -12.159 492 1HE MET 63 1HE MET 63 -7.314 -0.029 -12.507 493 2HE MET 63 2HE MET 63 -6.918 0.780 -14.027 494 3HE MET 63 3HE MET 63 -6.566 -0.953 -13.828 495 H ASP 64 H ASP 64 -7.188 5.666 -11.646 496 HA ASP 64 HA ASP 64 -5.630 6.664 -9.476 497 1HB ASP 64 1HB ASP 64 -7.528 7.446 -8.519 498 2HB ASP 64 2HB ASP 64 -7.993 7.402 -10.210 499 H GLY 65 H GLY 65 -5.822 5.969 -7.165 500 1HA GLY 65 1HA GLY 65 -4.657 3.398 -7.064 501 2HA GLY 65 2HA GLY 65 -5.074 4.408 -5.677 502 H LEU 66 H LEU 66 -8.057 4.340 -6.658 503 HA LEU 66 HA LEU 66 -8.725 1.950 -5.128 504 1HB LEU 66 1HB LEU 66 -9.953 4.223 -5.040 505 2HB LEU 66 2HB LEU 66 -10.675 3.793 -6.583 506 HG LEU 66 HG LEU 66 -12.015 3.467 -4.513 507 1HD1 LEU 66 1HD1 LEU 66 -13.126 1.489 -5.158 508 2HD1 LEU 66 2HD1 LEU 66 -12.617 2.361 -6.614 509 3HD1 LEU 66 3HD1 LEU 66 -11.716 0.921 -6.082 510 1HD2 LEU 66 1HD2 LEU 66 -10.225 2.418 -3.109 511 2HD2 LEU 66 2HD2 LEU 66 -11.734 1.497 -3.157 512 3HD2 LEU 66 3HD2 LEU 66 -10.371 0.963 -4.139 513 H GLU 67 H GLU 67 -8.701 3.074 -8.512 514 HA GLU 67 HA GLU 67 -9.905 0.678 -9.594 515 1HB GLU 67 1HB GLU 67 -8.199 2.887 -10.816 516 2HB GLU 67 2HB GLU 67 -8.775 1.511 -11.751 517 1HG GLU 67 1HG GLU 67 -10.625 3.353 -10.206 518 2HG GLU 67 2HG GLU 67 -10.186 3.596 -11.898 519 H LEU 68 H LEU 68 -6.505 1.659 -8.988 520 HA LEU 68 HA LEU 68 -5.262 -0.694 -10.006 521 1HB LEU 68 1HB LEU 68 -3.958 1.258 -9.263 522 2HB LEU 68 2HB LEU 68 -4.502 1.013 -7.607 523 HG LEU 68 HG LEU 68 -3.324 -1.222 -7.575 524 1HD1 LEU 68 1HD1 LEU 68 -3.173 -1.740 -9.959 525 2HD1 LEU 68 2HD1 LEU 68 -2.249 -0.267 -10.265 526 3HD1 LEU 68 3HD1 LEU 68 -1.536 -1.586 -9.320 527 1HD2 LEU 68 1HD2 LEU 68 -2.308 0.755 -6.586 528 2HD2 LEU 68 2HD2 LEU 68 -1.076 -0.259 -7.334 529 3HD2 LEU 68 3HD2 LEU 68 -1.632 1.227 -8.145 530 H LEU 69 H LEU 69 -6.580 -0.011 -6.746 531 HA LEU 69 HA LEU 69 -6.157 -2.587 -5.623 532 1HB LEU 69 1HB LEU 69 -6.692 -1.028 -4.048 533 2HB LEU 69 2HB LEU 69 -7.955 -0.274 -5.016 534 HG LEU 69 HG LEU 69 -9.503 -2.059 -4.571 535 1HD1 LEU 69 1HD1 LEU 69 -7.989 -4.049 -4.282 536 2HD1 LEU 69 2HD1 LEU 69 -7.329 -3.247 -2.864 537 3HD1 LEU 69 3HD1 LEU 69 -9.009 -3.812 -2.871 538 1HD2 LEU 69 1HD2 LEU 69 -8.111 -1.200 -1.995 539 2HD2 LEU 69 2HD2 LEU 69 -9.356 -0.269 -2.807 540 3HD2 LEU 69 3HD2 LEU 69 -9.772 -1.826 -2.111 541 H LYS 70 H LYS 70 -9.170 -1.333 -7.306 542 HA LYS 70 HA LYS 70 -10.438 -3.867 -6.993 543 1HB LYS 70 1HB LYS 70 -10.994 -2.048 -9.344 544 2HB LYS 70 2HB LYS 70 -12.002 -3.315 -8.630 545 1HG LYS 70 1HG LYS 70 -11.677 -1.656 -6.480 546 2HG LYS 70 2HG LYS 70 -11.623 -0.495 -7.811 547 1HD LYS 70 1HD LYS 70 -13.766 -1.370 -8.688 548 2HD LYS 70 2HD LYS 70 -13.812 -2.577 -7.369 549 1HE LYS 70 1HE LYS 70 -13.848 -0.758 -5.713 550 2HE LYS 70 2HE LYS 70 -13.841 0.434 -7.012 551 1HZ LYS 70 1HZ LYS 70 -15.983 -0.510 -7.736 552 2HZ LYS 70 2HZ LYS 70 -15.970 -1.560 -6.475 553 3HZ LYS 70 3HZ LYS 70 -16.037 0.065 -6.196 554 H THR 71 H THR 71 -8.256 -2.763 -9.555 555 HA THR 71 HA THR 71 -8.604 -4.921 -11.379 556 HB THR 71 HB THR 71 -6.169 -3.209 -10.708 557 HG1 THR 71 1HG THR 71 -7.764 -1.908 -11.287 558 1HG2 THR 71 1HG2 THR 71 -5.382 -3.603 -12.960 559 2HG2 THR 71 2HG2 THR 71 -5.501 -5.144 -12.101 560 3HG2 THR 71 3HG2 THR 71 -6.738 -4.699 -13.296 561 H ILE 72 H ILE 72 -6.402 -4.510 -8.537 562 HA ILE 72 HA ILE 72 -5.162 -7.108 -8.795 563 HB ILE 72 HB ILE 72 -5.490 -5.045 -6.556 564 1HG1 ILE 72 1HG1 ILE 72 -2.896 -6.071 -7.798 565 2HG1 ILE 72 2HG1 ILE 72 -3.842 -4.839 -8.626 566 1HG2 ILE 72 1HG2 ILE 72 -3.702 -6.486 -5.333 567 2HG2 ILE 72 2HG2 ILE 72 -5.357 -7.099 -5.291 568 3HG2 ILE 72 3HG2 ILE 72 -4.183 -7.783 -6.412 569 1HD1 ILE 72 1HD1 ILE 72 -3.850 -3.495 -6.415 570 2HD1 ILE 72 2HD1 ILE 72 -2.542 -4.585 -5.903 571 3HD1 ILE 72 3HD1 ILE 72 -2.361 -3.546 -7.332 572 H ARG 73 H ARG 73 -7.905 -5.812 -6.906 573 HA ARG 73 HA ARG 73 -8.430 -8.257 -5.556 574 1HB ARG 73 1HB ARG 73 -9.459 -5.518 -5.545 575 2HB ARG 73 2HB ARG 73 -10.776 -6.635 -5.383 576 1HG ARG 73 1HG ARG 73 -8.215 -7.024 -3.741 577 2HG ARG 73 2HG ARG 73 -9.398 -5.855 -3.232 578 1HD ARG 73 1HD ARG 73 -9.469 -8.175 -2.159 579 2HD ARG 73 2HD ARG 73 -10.985 -7.378 -2.624 580 HE ARG 73 HE ARG 73 -10.619 -8.747 -4.815 581 1HH1 ARG 73 2HH2 ARG 73 -10.085 -10.157 -1.532 582 2HH1 ARG 73 1HH2 ARG 73 -10.625 -11.701 -2.078 583 1HH2 ARG 73 2HH1 ARG 73 -11.119 -10.715 -5.448 584 2HH2 ARG 73 1HH1 ARG 73 -11.256 -12.052 -4.345 585 H ALA 74 H ALA 74 -9.464 -7.168 -8.724 586 HA ALA 74 HA ALA 74 -11.688 -9.007 -8.952 587 1HB ALA 74 1HB ALA 74 -9.929 -7.704 -11.089 588 2HB ALA 74 2HB ALA 74 -11.469 -8.538 -11.370 589 3HB ALA 74 3HB ALA 74 -11.429 -7.030 -10.453 590 H ASP 75 H ASP 75 -8.193 -9.412 -8.936 591 HA ASP 75 HA ASP 75 -8.122 -11.572 -10.851 592 1HB ASP 75 1HB ASP 75 -6.231 -9.944 -10.265 593 2HB ASP 75 2HB ASP 75 -6.079 -10.859 -8.750 594 H GLY 76 H GLY 76 -7.632 -13.813 -10.339 595 1HA GLY 76 1HA GLY 76 -9.075 -14.778 -8.004 596 2HA GLY 76 2HA GLY 76 -8.315 -15.739 -9.271 597 H ALA 77 H ALA 77 -5.743 -13.964 -8.540 598 HA ALA 77 HA ALA 77 -4.895 -15.591 -6.183 599 1HB ALA 77 1HB ALA 77 -4.076 -16.625 -8.261 600 2HB ALA 77 2HB ALA 77 -3.340 -15.079 -8.748 601 3HB ALA 77 3HB ALA 77 -2.742 -15.934 -7.321 602 H MET 78 H MET 78 -4.254 -12.613 -8.151 603 HA MET 78 HA MET 78 -2.528 -11.482 -6.137 604 1HB MET 78 1HB MET 78 -4.186 -10.023 -8.239 605 2HB MET 78 2HB MET 78 -2.964 -9.303 -7.241 606 1HG MET 78 1HG MET 78 -2.342 -11.541 -9.170 607 2HG MET 78 2HG MET 78 -2.207 -9.817 -9.530 608 1HE MET 78 1HE MET 78 1.551 -10.715 -9.336 609 2HE MET 78 2HE MET 78 0.224 -11.655 -10.052 610 3HE MET 78 3HE MET 78 0.274 -9.891 -10.255 611 H SER 79 H SER 79 -5.850 -12.091 -6.063 612 HA SER 79 HA SER 79 -6.894 -10.060 -4.408 613 1HB SER 79 1HB SER 79 -8.395 -12.024 -3.684 614 2HB SER 79 2HB SER 79 -8.377 -11.599 -5.400 615 HG SER 79 HG SER 79 -7.816 -13.922 -4.275 616 H ALA 80 H ALA 80 -4.551 -12.603 -3.649 617 HA ALA 80 HA ALA 80 -4.983 -12.602 -0.794 618 1HB ALA 80 1HB ALA 80 -3.837 -14.438 -1.960 619 2HB ALA 80 2HB ALA 80 -2.520 -13.336 -2.435 620 3HB ALA 80 3HB ALA 80 -2.788 -13.725 -0.723 621 H LEU 81 H LEU 81 -3.455 -10.279 -2.935 622 HA LEU 81 HA LEU 81 -1.290 -9.465 -1.365 623 1HB LEU 81 1HB LEU 81 -3.007 -8.060 -3.447 624 2HB LEU 81 2HB LEU 81 -1.733 -7.188 -2.640 625 HG LEU 81 HG LEU 81 -1.253 -9.735 -4.247 626 1HD1 LEU 81 1HD1 LEU 81 -1.269 -6.794 -4.917 627 2HD1 LEU 81 2HD1 LEU 81 -0.124 -7.875 -5.763 628 3HD1 LEU 81 3HD1 LEU 81 -1.865 -8.144 -5.831 629 1HD2 LEU 81 1HD2 LEU 81 0.605 -7.817 -2.773 630 2HD2 LEU 81 2HD2 LEU 81 0.502 -9.577 -2.654 631 3HD2 LEU 81 3HD2 LEU 81 1.157 -8.847 -4.109 632 HA PRO 82 HA PRO 82 -3.336 -6.569 1.536 633 1HB PRO 82 1HB PRO 82 -1.126 -5.510 2.709 634 2HB PRO 82 2HB PRO 82 -1.737 -7.123 3.148 635 1HG PRO 82 1HG PRO 82 0.488 -6.416 1.288 636 2HG PRO 82 2HG PRO 82 0.459 -7.714 2.499 637 1HD PRO 82 1HD PRO 82 -0.025 -8.084 -0.213 638 2HD PRO 82 2HD PRO 82 -0.730 -9.137 1.051 639 H VAL 83 H VAL 83 -3.925 -5.752 -0.562 640 HA VAL 83 HA VAL 83 -2.754 -3.368 -1.710 641 HB VAL 83 HB VAL 83 -5.254 -2.981 -2.251 642 1HG1 VAL 83 1HG1 VAL 83 -5.160 -4.554 -4.119 643 2HG1 VAL 83 2HG1 VAL 83 -3.614 -3.747 -3.857 644 3HG1 VAL 83 3HG1 VAL 83 -3.825 -5.430 -3.318 645 1HG2 VAL 83 1HG2 VAL 83 -5.489 -5.843 -1.178 646 2HG2 VAL 83 2HG2 VAL 83 -6.388 -4.419 -0.677 647 3HG2 VAL 83 3HG2 VAL 83 -6.633 -5.143 -2.266 648 H LEU 84 H LEU 84 -2.435 -1.529 -0.592 649 HA LEU 84 HA LEU 84 -4.014 -1.088 1.897 650 1HB LEU 84 1HB LEU 84 -1.979 -2.274 2.499 651 2HB LEU 84 2HB LEU 84 -1.005 -1.141 1.552 652 HG LEU 84 HG LEU 84 -1.693 0.718 3.044 653 1HD1 LEU 84 1HD1 LEU 84 -3.251 -1.441 4.514 654 2HD1 LEU 84 2HD1 LEU 84 -2.810 0.134 5.234 655 3HD1 LEU 84 3HD1 LEU 84 -3.849 0.085 3.830 656 1HD2 LEU 84 1HD2 LEU 84 0.330 -0.621 3.436 657 2HD2 LEU 84 2HD2 LEU 84 -0.350 0.143 4.874 658 3HD2 LEU 84 3HD2 LEU 84 -0.589 -1.633 4.576 659 H MET 85 H MET 85 -4.920 0.826 1.836 660 HA MET 85 HA MET 85 -3.943 2.766 -0.182 661 1HB MET 85 1HB MET 85 -6.506 2.910 1.437 662 2HB MET 85 2HB MET 85 -6.090 3.748 -0.066 663 1HG MET 85 1HG MET 85 -5.826 1.264 -1.008 664 2HG MET 85 2HG MET 85 -6.804 0.848 0.399 665 1HE MET 85 1HE MET 85 -6.744 2.035 -3.253 666 2HE MET 85 2HE MET 85 -8.061 3.225 -3.332 667 3HE MET 85 3HE MET 85 -6.603 3.585 -2.394 668 H VAL 86 H VAL 86 -2.615 4.397 0.487 669 HA VAL 86 HA VAL 86 -2.675 5.288 3.323 670 HB VAL 86 HB VAL 86 -0.312 4.726 1.478 671 1HG1 VAL 86 1HG1 VAL 86 0.214 6.722 2.746 672 2HG1 VAL 86 2HG1 VAL 86 -0.387 5.967 4.258 673 3HG1 VAL 86 3HG1 VAL 86 1.073 5.360 3.459 674 1HG2 VAL 86 1HG2 VAL 86 -1.205 2.742 2.585 675 2HG2 VAL 86 2HG2 VAL 86 0.354 3.188 3.312 676 3HG2 VAL 86 3HG2 VAL 86 -1.138 3.551 4.169 677 H THR 87 H THR 87 -3.708 7.277 3.178 678 HA THR 87 HA THR 87 -2.878 9.103 0.992 679 HB THR 87 HB THR 87 -4.590 7.554 0.107 680 HG1 THR 87 1HG THR 87 -4.588 9.374 -0.898 681 1HG2 THR 87 1HG2 THR 87 -6.497 8.797 2.132 682 2HG2 THR 87 2HG2 THR 87 -6.922 7.718 0.788 683 3HG2 THR 87 3HG2 THR 87 -5.938 7.110 2.123 684 H ALA 88 H ALA 88 -4.199 11.219 1.158 685 HA ALA 88 HA ALA 88 -3.942 12.112 3.960 686 1HB ALA 88 1HB ALA 88 -2.874 13.385 2.102 687 2HB ALA 88 2HB ALA 88 -4.497 13.714 1.447 688 3HB ALA 88 3HB ALA 88 -4.036 14.356 3.030 689 H GLU 89 H GLU 89 -6.519 11.107 1.883 690 HA GLU 89 HA GLU 89 -8.515 12.905 3.045 691 1HB GLU 89 1HB GLU 89 -8.669 10.718 0.934 692 2HB GLU 89 2HB GLU 89 -10.033 11.718 1.488 693 1HG GLU 89 1HG GLU 89 -8.708 13.764 0.906 694 2HG GLU 89 2HG GLU 89 -7.455 12.727 0.212 695 H ALA 90 H ALA 90 -9.698 12.437 4.802 696 HA ALA 90 HA ALA 90 -10.068 9.629 5.691 697 1HB ALA 90 1HB ALA 90 -9.537 11.317 7.459 698 2HB ALA 90 2HB ALA 90 -10.968 12.245 6.966 699 3HB ALA 90 3HB ALA 90 -11.146 10.620 7.656 700 H LYS 91 H LYS 91 -11.133 10.894 3.145 701 HA LYS 91 HA LYS 91 -13.793 11.753 3.252 702 1HB LYS 91 1HB LYS 91 -12.400 12.005 1.289 703 2HB LYS 91 2HB LYS 91 -12.287 10.261 1.098 704 1HG LYS 91 1HG LYS 91 -13.862 11.168 -0.476 705 2HG LYS 91 2HG LYS 91 -14.721 10.140 0.672 706 1HD LYS 91 1HD LYS 91 -15.608 12.095 1.838 707 2HD LYS 91 2HD LYS 91 -14.613 13.178 0.863 708 1HE LYS 91 1HE LYS 91 -16.132 11.443 -0.905 709 2HE LYS 91 2HE LYS 91 -17.231 12.118 0.311 710 1HZ LYS 91 1HZ LYS 91 -17.197 13.588 -1.464 711 2HZ LYS 91 2HZ LYS 91 -16.259 14.335 -0.338 712 3HZ LYS 91 3HZ LYS 91 -15.585 13.580 -1.643 713 H LYS 92 H LYS 92 -15.497 10.725 4.150 714 HA LYS 92 HA LYS 92 -15.404 8.036 4.928 715 1HB LYS 92 1HB LYS 92 -16.906 9.842 5.833 716 2HB LYS 92 2HB LYS 92 -17.946 9.615 4.412 717 1HG LYS 92 1HG LYS 92 -18.220 7.216 5.052 718 2HG LYS 92 2HG LYS 92 -17.224 7.483 6.489 719 1HD LYS 92 1HD LYS 92 -18.819 9.022 7.434 720 2HD LYS 92 2HD LYS 92 -19.740 9.114 5.934 721 1HE LYS 92 1HE LYS 92 -19.503 6.655 7.724 722 2HE LYS 92 2HE LYS 92 -20.892 7.748 7.591 723 1HZ LYS 92 1HZ LYS 92 -20.528 7.016 5.041 724 2HZ LYS 92 2HZ LYS 92 -20.100 5.631 5.841 725 3HZ LYS 92 3HZ LYS 92 -21.579 6.310 6.078 726 H GLU 93 H GLU 93 -16.939 9.406 1.949 727 HA GLU 93 HA GLU 93 -17.769 6.946 0.873 728 1HB GLU 93 1HB GLU 93 -16.774 9.515 -0.386 729 2HB GLU 93 2HB GLU 93 -17.249 8.153 -1.398 730 1HG GLU 93 1HG GLU 93 -19.488 8.275 -0.830 731 2HG GLU 93 2HG GLU 93 -19.182 9.054 0.721 732 H ASN 94 H ASN 94 -14.410 8.220 1.006 733 HA ASN 94 HA ASN 94 -13.386 6.260 -0.891 734 1HB ASN 94 1HB ASN 94 -11.953 7.920 1.225 735 2HB ASN 94 2HB ASN 94 -11.186 6.696 0.236 736 1HD2 ASN 94 1HD2 ASN 94 -9.753 8.393 -0.495 737 2HD2 ASN 94 2HD2 ASN 94 -10.267 9.435 -1.804 738 H ILE 95 H ILE 95 -13.819 6.475 2.678 739 HA ILE 95 HA ILE 95 -12.647 3.912 3.231 740 HB ILE 95 HB ILE 95 -14.725 5.549 4.748 741 1HG1 ILE 95 1HG1 ILE 95 -12.869 5.263 6.546 742 2HG1 ILE 95 2HG1 ILE 95 -11.827 4.739 5.232 743 1HG2 ILE 95 1HG2 ILE 95 -14.630 3.864 6.552 744 2HG2 ILE 95 2HG2 ILE 95 -15.332 3.187 5.092 745 3HG2 ILE 95 3HG2 ILE 95 -13.648 2.810 5.506 746 1HD1 ILE 95 1HD1 ILE 95 -13.255 7.439 5.431 747 2HD1 ILE 95 2HD1 ILE 95 -11.570 7.144 5.862 748 3HD1 ILE 95 3HD1 ILE 95 -12.079 6.967 4.176 749 H ILE 96 H ILE 96 -16.012 4.810 2.264 750 HA ILE 96 HA ILE 96 -17.040 2.146 2.231 751 HB ILE 96 HB ILE 96 -17.888 4.682 0.802 752 1HG1 ILE 96 1HG1 ILE 96 -20.094 4.013 1.974 753 2HG1 ILE 96 2HG1 ILE 96 -19.153 2.813 2.858 754 1HG2 ILE 96 1HG2 ILE 96 -19.843 3.480 -0.170 755 2HG2 ILE 96 2HG2 ILE 96 -18.329 3.027 -0.918 756 3HG2 ILE 96 3HG2 ILE 96 -19.079 1.935 0.269 757 1HD1 ILE 96 1HD1 ILE 96 -18.651 5.816 2.807 758 2HD1 ILE 96 2HD1 ILE 96 -19.529 4.944 4.067 759 3HD1 ILE 96 3HD1 ILE 96 -17.799 4.629 3.840 760 H ALA 97 H ALA 97 -15.674 4.060 -0.536 761 HA ALA 97 HA ALA 97 -15.894 1.972 -2.393 762 1HB ALA 97 1HB ALA 97 -14.246 4.490 -2.232 763 2HB ALA 97 2HB ALA 97 -13.940 3.303 -3.521 764 3HB ALA 97 3HB ALA 97 -15.533 4.048 -3.344 765 H ALA 98 H ALA 98 -13.151 2.740 -0.225 766 HA ALA 98 HA ALA 98 -11.398 0.673 -1.085 767 1HB ALA 98 1HB ALA 98 -11.822 1.910 1.680 768 2HB ALA 98 2HB ALA 98 -10.527 0.755 1.310 769 3HB ALA 98 3HB ALA 98 -10.574 2.314 0.498 770 H ALA 99 H ALA 99 -13.996 0.594 1.453 771 HA ALA 99 HA ALA 99 -13.491 -2.136 2.116 772 1HB ALA 99 1HB ALA 99 -16.075 -0.522 2.484 773 2HB ALA 99 2HB ALA 99 -15.530 -1.916 3.432 774 3HB ALA 99 3HB ALA 99 -14.664 -0.396 3.557 775 H GLN 100 H GLN 100 -15.786 -0.624 -0.131 776 HA GLN 100 HA GLN 100 -17.224 -2.855 -1.111 777 1HB GLN 100 1HB GLN 100 -16.219 -0.302 -2.449 778 2HB GLN 100 2HB GLN 100 -17.286 -1.412 -3.253 779 1HG GLN 100 1HG GLN 100 -18.152 -0.355 -0.563 780 2HG GLN 100 2HG GLN 100 -18.125 0.753 -1.938 781 1HE2 GLN 100 1HE2 GLN 100 -20.287 1.006 -2.492 782 2HE2 GLN 100 2HE2 GLN 100 -21.380 -0.363 -2.713 783 H ALA 101 H ALA 101 -14.149 -1.357 -2.309 784 HA ALA 101 HA ALA 101 -13.587 -3.350 -4.252 785 1HB ALA 101 1HB ALA 101 -11.532 -2.171 -4.428 786 2HB ALA 101 2HB ALA 101 -12.802 -0.962 -4.227 787 3HB ALA 101 3HB ALA 101 -11.778 -1.349 -2.862 788 H GLY 102 H GLY 102 -13.255 -3.396 -0.809 789 1HA GLY 102 1HA GLY 102 -12.580 -5.119 0.547 790 2HA GLY 102 2HA GLY 102 -12.074 -6.035 -0.883 791 H ALA 103 H ALA 103 -10.923 -2.727 0.006 792 HA ALA 103 HA ALA 103 -8.194 -3.422 -0.317 793 1HB ALA 103 1HB ALA 103 -7.649 -1.299 0.390 794 2HB ALA 103 2HB ALA 103 -9.337 -1.018 -0.085 795 3HB ALA 103 3HB ALA 103 -8.930 -1.228 1.615 796 H SER 104 H SER 104 -6.537 -3.923 1.267 797 HA SER 104 HA SER 104 -7.516 -5.472 3.504 798 1HB SER 104 1HB SER 104 -5.265 -6.011 3.916 799 2HB SER 104 2HB SER 104 -5.487 -6.044 2.168 800 HG SER 104 HG SER 104 -4.518 -3.948 2.093 801 H GLY 105 H GLY 105 -6.526 -2.098 3.084 802 1HA GLY 105 1HA GLY 105 -7.570 -1.449 5.614 803 2HA GLY 105 2HA GLY 105 -5.794 -1.382 5.679 804 H TYR 106 H TYR 106 -7.332 0.832 6.139 805 HA TYR 106 HA TYR 106 -6.757 2.595 3.832 806 1HB TYR 106 1HB TYR 106 -9.200 1.949 4.004 807 2HB TYR 106 2HB TYR 106 -9.245 2.728 5.582 808 HD1 TYR 106 1HD TYR 106 -8.807 3.221 1.931 809 HD2 TYR 106 2HD TYR 106 -9.196 5.189 5.751 810 HE1 TYR 106 1HE TYR 106 -9.046 5.407 0.796 811 HE2 TYR 106 2HE TYR 106 -9.530 7.365 4.573 812 HH TYR 106 HH TYR 106 -9.147 8.464 2.560 813 H VAL 107 H VAL 107 -5.196 3.893 4.521 814 HA VAL 107 HA VAL 107 -4.844 4.459 7.418 815 HB VAL 107 HB VAL 107 -3.017 3.631 5.175 816 1HG1 VAL 107 1HG1 VAL 107 -2.177 4.705 7.883 817 2HG1 VAL 107 2HG1 VAL 107 -1.102 3.862 6.743 818 3HG1 VAL 107 3HG1 VAL 107 -1.800 5.409 6.282 819 1HG2 VAL 107 1HG2 VAL 107 -3.362 2.558 8.003 820 2HG2 VAL 107 2HG2 VAL 107 -4.127 1.858 6.557 821 3HG2 VAL 107 3HG2 VAL 107 -2.360 1.885 6.696 822 H VAL 108 H VAL 108 -5.685 6.506 7.609 823 HA VAL 108 HA VAL 108 -5.074 8.487 5.526 824 HB VAL 108 HB VAL 108 -6.573 9.126 8.075 825 1HG1 VAL 108 1HG1 VAL 108 -5.908 10.992 6.578 826 2HG1 VAL 108 2HG1 VAL 108 -6.644 10.157 5.198 827 3HG1 VAL 108 3HG1 VAL 108 -7.641 10.763 6.538 828 1HG2 VAL 108 1HG2 VAL 108 -7.727 7.137 7.177 829 2HG2 VAL 108 2HG2 VAL 108 -8.673 8.590 6.900 830 3HG2 VAL 108 3HG2 VAL 108 -7.713 7.886 5.563 831 H LYS 109 H LYS 109 -3.729 10.241 5.832 832 HA LYS 109 HA LYS 109 -1.590 10.131 7.613 833 1HB LYS 109 1HB LYS 109 -0.971 12.295 6.883 834 2HB LYS 109 2HB LYS 109 -1.762 11.538 5.507 835 1HG LYS 109 1HG LYS 109 -3.827 12.825 5.977 836 2HG LYS 109 2HG LYS 109 -3.102 13.536 7.412 837 1HD LYS 109 1HD LYS 109 -1.989 13.966 4.614 838 2HD LYS 109 2HD LYS 109 -3.104 15.045 5.465 839 1HE LYS 109 1HE LYS 109 -1.243 14.812 7.405 840 2HE LYS 109 2HE LYS 109 -0.202 14.498 6.006 841 1HZ LYS 109 1HZ LYS 109 -0.319 16.842 6.638 842 2HZ LYS 109 2HZ LYS 109 -0.890 16.639 5.108 843 3HZ LYS 109 3HZ LYS 109 -1.921 16.878 6.384 844 HA PRO 110 HA PRO 110 -0.105 11.547 8.789 845 1HB PRO 110 1HB PRO 110 0.861 11.985 11.308 846 2HB PRO 110 2HB PRO 110 0.421 13.294 10.181 847 1HG PRO 110 1HG PRO 110 -1.200 12.179 12.472 848 2HG PRO 110 2HG PRO 110 -0.987 13.888 11.987 849 1HD PRO 110 1HD PRO 110 -3.175 12.310 11.341 850 2HD PRO 110 2HD PRO 110 -2.626 13.686 10.340 851 H PHE 111 H PHE 111 0.251 9.401 8.456 852 HA PHE 111 HA PHE 111 -0.924 7.468 10.317 853 1HB PHE 111 1HB PHE 111 -0.176 5.919 8.338 854 2HB PHE 111 2HB PHE 111 -1.598 6.899 8.275 855 HD1 PHE 111 1HD PHE 111 2.099 7.514 7.334 856 HD2 PHE 111 2HD PHE 111 -2.072 7.795 6.235 857 HE1 PHE 111 1HE PHE 111 2.705 8.449 5.151 858 HE2 PHE 111 2HE PHE 111 -1.435 8.833 4.102 859 HZ PHE 111 HZ PHE 111 0.954 9.077 3.526 860 H THR 112 H THR 112 0.589 7.834 12.065 861 HA THR 112 HA THR 112 3.418 7.733 11.707 862 HB THR 112 HB THR 112 3.165 7.530 14.328 863 HG1 THR 112 1HG THR 112 1.174 7.891 15.111 864 1HG2 THR 112 1HG2 THR 112 2.119 9.875 12.690 865 2HG2 THR 112 2HG2 THR 112 2.621 9.949 14.395 866 3HG2 THR 112 3HG2 THR 112 3.809 9.547 13.149 867 H ALA 113 H ALA 113 4.726 6.158 13.300 868 HA ALA 113 HA ALA 113 4.495 3.611 12.047 869 1HB ALA 113 1HB ALA 113 6.656 4.518 12.796 870 2HB ALA 113 2HB ALA 113 6.145 4.380 14.492 871 3HB ALA 113 3HB ALA 113 6.332 2.929 13.501 872 H ALA 114 H ALA 114 3.335 5.024 15.064 873 HA ALA 114 HA ALA 114 2.289 2.744 16.324 874 1HB ALA 114 1HB ALA 114 2.476 5.062 17.283 875 2HB ALA 114 2HB ALA 114 1.077 5.539 16.283 876 3HB ALA 114 3HB ALA 114 0.902 4.299 17.544 877 H THR 115 H THR 115 1.094 4.192 13.346 878 HA THR 115 HA THR 115 -1.377 2.563 13.620 879 HB THR 115 HB THR 115 -1.308 5.203 12.984 880 HG1 THR 115 1HG THR 115 -3.204 3.918 13.354 881 1HG2 THR 115 1HG2 THR 115 -0.160 4.875 10.804 882 2HG2 THR 115 2HG2 THR 115 -1.472 3.799 10.282 883 3HG2 THR 115 3HG2 THR 115 -1.819 5.493 10.629 884 H LEU 116 H LEU 116 1.593 3.119 11.764 885 HA LEU 116 HA LEU 116 1.190 1.378 9.603 886 1HB LEU 116 1HB LEU 116 3.090 3.042 10.066 887 2HB LEU 116 2HB LEU 116 3.772 1.813 11.115 888 HG LEU 116 HG LEU 116 5.043 1.778 9.206 889 1HD1 LEU 116 1HD1 LEU 116 4.263 -0.483 9.992 890 2HD1 LEU 116 2HD1 LEU 116 3.166 -0.500 8.624 891 3HD1 LEU 116 3HD1 LEU 116 4.922 -0.399 8.361 892 1HD2 LEU 116 1HD2 LEU 116 3.874 2.984 7.575 893 2HD2 LEU 116 2HD2 LEU 116 4.147 1.402 6.874 894 3HD2 LEU 116 3HD2 LEU 116 2.534 1.838 7.510 895 H GLU 117 H GLU 117 2.465 0.732 12.928 896 HA GLU 117 HA GLU 117 2.882 -2.034 12.476 897 1HB GLU 117 1HB GLU 117 3.640 -2.151 14.658 898 2HB GLU 117 2HB GLU 117 4.054 -0.562 14.097 899 1HG GLU 117 1HG GLU 117 3.293 0.180 16.036 900 2HG GLU 117 2HG GLU 117 1.682 0.013 15.364 901 H GLU 118 H GLU 118 0.172 -0.296 14.016 902 HA GLU 118 HA GLU 118 -1.665 -2.357 14.670 903 1HB GLU 118 1HB GLU 118 -2.155 -0.193 15.346 904 2HB GLU 118 2HB GLU 118 -1.944 0.441 13.726 905 1HG GLU 118 1HG GLU 118 -4.179 0.469 13.947 906 2HG GLU 118 2HG GLU 118 -3.955 -1.009 13.025 907 H LYS 119 H LYS 119 -1.562 -0.577 11.523 908 HA LYS 119 HA LYS 119 -3.396 -2.464 10.448 909 1HB LYS 119 1HB LYS 119 -3.130 -1.405 8.298 910 2HB LYS 119 2HB LYS 119 -3.265 -0.227 9.595 911 1HG LYS 119 1HG LYS 119 -1.599 0.716 8.341 912 2HG LYS 119 2HG LYS 119 -0.668 -0.148 9.528 913 1HD LYS 119 1HD LYS 119 -0.367 -2.028 7.829 914 2HD LYS 119 2HD LYS 119 -1.213 -0.998 6.679 915 1HE LYS 119 1HE LYS 119 0.520 0.733 6.927 916 2HE LYS 119 2HE LYS 119 1.220 -0.138 8.295 917 1HZ LYS 119 1HZ LYS 119 1.232 -1.107 5.511 918 2HZ LYS 119 2HZ LYS 119 2.513 -0.458 6.320 919 3HZ LYS 119 3HZ LYS 119 1.882 -1.892 6.816 920 H LEU 120 H LEU 120 0.149 -2.574 10.563 921 HA LEU 120 HA LEU 120 0.432 -4.713 8.639 922 1HB LEU 120 1HB LEU 120 2.103 -3.654 10.908 923 2HB LEU 120 2HB LEU 120 2.496 -5.228 10.222 924 HG LEU 120 HG LEU 120 2.441 -2.606 8.703 925 1HD1 LEU 120 1HD1 LEU 120 4.284 -2.788 10.344 926 2HD1 LEU 120 2HD1 LEU 120 4.731 -4.363 9.702 927 3HD1 LEU 120 3HD1 LEU 120 4.929 -2.911 8.696 928 1HD2 LEU 120 1HD2 LEU 120 1.925 -4.363 7.134 929 2HD2 LEU 120 2HD2 LEU 120 3.625 -3.914 6.912 930 3HD2 LEU 120 3HD2 LEU 120 3.206 -5.395 7.792 931 H ASN 121 H ASN 121 0.130 -4.732 12.263 932 HA ASN 121 HA ASN 121 0.101 -7.591 12.353 933 1HB ASN 121 1HB ASN 121 -0.013 -5.491 14.301 934 2HB ASN 121 2HB ASN 121 -1.429 -6.503 14.553 935 1HD2 ASN 121 1HD2 ASN 121 2.038 -6.310 14.980 936 2HD2 ASN 121 2HD2 ASN 121 2.219 -7.918 15.588 937 H LYS 122 H LYS 122 -2.477 -5.194 11.973 938 HA LYS 122 HA LYS 122 -4.716 -6.853 11.980 939 1HB LYS 122 1HB LYS 122 -4.327 -4.224 11.397 940 2HB LYS 122 2HB LYS 122 -4.502 -4.818 9.759 941 1HG LYS 122 1HG LYS 122 -6.674 -4.241 10.306 942 2HG LYS 122 2HG LYS 122 -6.666 -5.982 10.603 943 1HD LYS 122 1HD LYS 122 -7.788 -4.873 12.412 944 2HD LYS 122 2HD LYS 122 -6.271 -5.500 13.054 945 1HE LYS 122 1HE LYS 122 -5.271 -3.361 13.195 946 2HE LYS 122 2HE LYS 122 -6.395 -2.639 12.026 947 1HZ LYS 122 1HZ LYS 122 -6.803 -2.052 14.379 948 2HZ LYS 122 2HZ LYS 122 -8.115 -2.731 13.597 949 3HZ LYS 122 3HZ LYS 122 -7.245 -3.614 14.662 950 H ILE 123 H ILE 123 -2.639 -6.151 9.086 951 HA ILE 123 HA ILE 123 -4.172 -8.163 7.622 952 HB ILE 123 HB ILE 123 -2.811 -7.474 5.673 953 1HG1 ILE 123 1HG1 ILE 123 -1.243 -5.962 7.689 954 2HG1 ILE 123 2HG1 ILE 123 -0.748 -6.775 6.234 955 1HG2 ILE 123 1HG2 ILE 123 -4.181 -5.260 7.261 956 2HG2 ILE 123 2HG2 ILE 123 -3.991 -5.334 5.505 957 3HG2 ILE 123 3HG2 ILE 123 -5.002 -6.524 6.322 958 1HD1 ILE 123 1HD1 ILE 123 -1.654 -4.883 4.885 959 2HD1 ILE 123 2HD1 ILE 123 -2.186 -4.073 6.373 960 3HD1 ILE 123 3HD1 ILE 123 -0.470 -4.322 6.100 961 H PHE 124 H PHE 124 -1.224 -8.281 9.454 962 HA PHE 124 HA PHE 124 -0.334 -10.836 8.475 963 1HB PHE 124 1HB PHE 124 -0.373 -9.729 11.296 964 2HB PHE 124 2HB PHE 124 0.447 -11.188 10.777 965 HD1 PHE 124 1HD PHE 124 1.808 -9.160 12.348 966 HD2 PHE 124 2HD PHE 124 1.410 -9.462 8.067 967 HE1 PHE 124 1HE PHE 124 3.898 -7.894 12.060 968 HE2 PHE 124 2HE PHE 124 3.517 -8.220 7.781 969 HZ PHE 124 HZ PHE 124 4.774 -7.415 9.777 970 H GLU 125 H GLU 125 -2.476 -10.036 11.285 971 HA GLU 125 HA GLU 125 -3.161 -12.741 11.561 972 1HB GLU 125 1HB GLU 125 -4.509 -10.192 12.587 973 2HB GLU 125 2HB GLU 125 -4.892 -11.810 13.168 974 1HG GLU 125 1HG GLU 125 -2.449 -12.066 13.817 975 2HG GLU 125 2HG GLU 125 -2.264 -10.336 13.509 976 H LYS 126 H LYS 126 -4.884 -10.141 9.846 977 HA LYS 126 HA LYS 126 -7.301 -11.702 9.548 978 1HB LYS 126 1HB LYS 126 -7.091 -9.165 9.663 979 2HB LYS 126 2HB LYS 126 -6.530 -9.179 7.999 980 1HG LYS 126 1HG LYS 126 -9.206 -10.183 9.065 981 2HG LYS 126 2HG LYS 126 -8.918 -8.637 8.289 982 1HD LYS 126 1HD LYS 126 -8.069 -10.784 6.508 983 2HD LYS 126 2HD LYS 126 -9.675 -11.114 7.098 984 1HE LYS 126 1HE LYS 126 -8.740 -8.585 5.663 985 2HE LYS 126 2HE LYS 126 -9.678 -9.904 4.954 986 1HZ LYS 126 1HZ LYS 126 -11.434 -9.352 6.603 987 2HZ LYS 126 2HZ LYS 126 -10.568 -8.031 7.055 988 3HZ LYS 126 3HZ LYS 126 -11.126 -8.151 5.520 989 H LEU 127 H LEU 127 -4.944 -10.426 7.082 990 HA LEU 127 HA LEU 127 -6.084 -12.061 5.049 991 1HB LEU 127 1HB LEU 127 -3.278 -10.981 4.898 992 2HB LEU 127 2HB LEU 127 -4.404 -11.290 3.604 993 HG LEU 127 HG LEU 127 -4.400 -8.974 5.545 994 1HD1 LEU 127 1HD1 LEU 127 -2.879 -9.045 3.516 995 2HD1 LEU 127 2HD1 LEU 127 -4.324 -9.022 2.504 996 3HD1 LEU 127 3HD1 LEU 127 -3.979 -7.665 3.584 997 1HD2 LEU 127 1HD2 LEU 127 -6.597 -9.706 3.613 998 2HD2 LEU 127 2HD2 LEU 127 -6.699 -9.472 5.369 999 3HD2 LEU 127 3HD2 LEU 127 -6.379 -8.089 4.327 1000 H GLY 128 H GLY 128 -3.432 -12.545 7.347 1001 1HA GLY 128 1HA GLY 128 -2.397 -14.583 7.810 1002 2HA GLY 128 2HA GLY 128 -2.747 -15.175 6.179 1003 H MET 129 H MET 129 -1.503 -11.808 6.851 1004 HA MET 129 HA MET 129 0.704 -12.471 5.000 1005 1HB MET 129 2HB MET 129 -0.036 -9.920 6.459 1006 2HB MET 129 3HB MET 129 1.502 -10.100 5.641 1007 1HG MET 129 2HG MET 129 -1.234 -10.382 4.379 1008 2HG MET 129 3HG MET 129 -0.164 -8.997 4.228 1009 1HE MET 129 1HE MET 129 2.265 -9.138 2.921 1010 2HE MET 129 2HE MET 129 2.728 -10.592 3.835 1011 3HE MET 129 3HE MET 129 2.815 -10.596 2.069 Start of MODEL 23 1 1H MET 1 H MET 1 17.304 -15.877 -3.511 2 2H MET 1 2HN MET 1 17.640 -16.892 -4.763 3 3H MET 1 3HN MET 1 16.939 -17.457 -3.384 4 HA MET 1 HA MET 1 19.209 -18.092 -3.496 5 1HB MET 1 2HB MET 1 20.916 -16.263 -2.996 6 2HB MET 1 3HB MET 1 20.379 -16.484 -4.651 7 1HG MET 1 2HG MET 1 19.024 -14.539 -4.611 8 2HG MET 1 3HG MET 1 19.174 -14.351 -2.859 9 1HE MET 1 1HE MET 1 21.414 -12.052 -5.806 10 2HE MET 1 2HE MET 1 20.638 -13.560 -6.343 11 3HE MET 1 3HE MET 1 19.696 -12.334 -5.473 12 H ALA 2 H ALA 2 18.392 -15.172 -1.398 13 HA ALA 2 HA ALA 2 17.983 -17.017 0.775 14 1HB ALA 2 1HB ALA 2 19.875 -14.624 1.015 15 2HB ALA 2 2HB ALA 2 19.275 -15.611 2.359 16 3HB ALA 2 3HB ALA 2 20.353 -16.338 1.149 17 H ASP 3 H ASP 3 16.608 -16.000 2.310 18 HA ASP 3 HA ASP 3 14.674 -14.953 2.861 19 1HB ASP 3 1HB ASP 3 15.612 -12.595 1.178 20 2HB ASP 3 2HB ASP 3 14.198 -12.618 2.206 21 H LYS 4 H LYS 4 12.631 -13.834 1.513 22 HA LYS 4 HA LYS 4 12.295 -15.270 -1.066 23 1HB LYS 4 1HB LYS 4 10.562 -13.731 0.879 24 2HB LYS 4 2HB LYS 4 10.100 -13.643 -0.803 25 1HG LYS 4 1HG LYS 4 10.535 -16.281 0.657 26 2HG LYS 4 2HG LYS 4 8.984 -15.445 0.517 27 1HD LYS 4 1HD LYS 4 9.388 -15.446 -2.037 28 2HD LYS 4 2HD LYS 4 10.675 -16.608 -1.730 29 1HE LYS 4 1HE LYS 4 8.728 -17.845 -2.343 30 2HE LYS 4 2HE LYS 4 9.017 -18.128 -0.627 31 1HZ LYS 4 1HZ LYS 4 7.015 -16.282 -1.782 32 2HZ LYS 4 2HZ LYS 4 6.705 -17.724 -1.031 33 3HZ LYS 4 3HZ LYS 4 7.271 -16.452 -0.182 34 H GLU 5 H GLU 5 13.989 -12.613 -0.078 35 HA GLU 5 HA GLU 5 14.215 -10.424 -0.614 36 1HB GLU 5 1HB GLU 5 14.137 -11.690 -3.370 37 2HB GLU 5 2HB GLU 5 14.377 -9.958 -3.121 38 1HG GLU 5 1HG GLU 5 16.286 -10.469 -1.569 39 2HG GLU 5 2HG GLU 5 16.131 -12.175 -2.014 40 H LEU 6 H LEU 6 11.795 -11.016 0.344 41 HA LEU 6 HA LEU 6 9.566 -10.465 -1.233 42 1HB LEU 6 1HB LEU 6 9.443 -11.564 0.943 43 2HB LEU 6 2HB LEU 6 9.887 -10.063 1.759 44 HG LEU 6 HG LEU 6 7.556 -9.767 -0.071 45 1HD1 LEU 6 1HD1 LEU 6 7.018 -11.982 0.589 46 2HD1 LEU 6 2HD1 LEU 6 7.411 -11.662 2.291 47 3HD1 LEU 6 3HD1 LEU 6 5.991 -10.914 1.549 48 1HD2 LEU 6 1HD2 LEU 6 8.234 -7.991 1.533 49 2HD2 LEU 6 2HD2 LEU 6 6.592 -8.556 1.844 50 3HD2 LEU 6 3HD2 LEU 6 7.926 -9.097 2.879 51 H LYS 7 H LYS 7 8.898 -8.687 -2.148 52 HA LYS 7 HA LYS 7 10.118 -6.126 -1.349 53 1HB LYS 7 1HB LYS 7 8.995 -7.227 -3.880 54 2HB LYS 7 2HB LYS 7 8.598 -5.529 -3.568 55 1HG LYS 7 1HG LYS 7 10.851 -4.878 -3.324 56 2HG LYS 7 2HG LYS 7 11.410 -6.572 -3.263 57 1HD LYS 7 1HD LYS 7 10.747 -6.915 -5.595 58 2HD LYS 7 2HD LYS 7 10.063 -5.293 -5.647 59 1HE LYS 7 1HE LYS 7 12.169 -5.360 -6.812 60 2HE LYS 7 2HE LYS 7 12.229 -4.250 -5.442 61 1HZ LYS 7 1HZ LYS 7 13.462 -5.858 -4.208 62 2HZ LYS 7 2HZ LYS 7 13.336 -6.997 -5.376 63 3HZ LYS 7 3HZ LYS 7 14.224 -5.595 -5.598 64 H PHE 8 H PHE 8 9.012 -4.251 -1.111 65 HA PHE 8 HA PHE 8 6.075 -4.420 -0.608 66 1HB PHE 8 1HB PHE 8 8.294 -2.857 0.720 67 2HB PHE 8 2HB PHE 8 6.753 -2.051 0.456 68 HD1 PHE 8 1HD PHE 8 7.911 -5.447 1.749 69 HD2 PHE 8 2HD PHE 8 5.404 -1.982 2.300 70 HE1 PHE 8 1HE PHE 8 6.969 -6.424 3.810 71 HE2 PHE 8 2HE PHE 8 4.453 -2.966 4.335 72 HZ PHE 8 HZ PHE 8 5.287 -5.216 5.132 73 H LEU 9 H LEU 9 4.972 -2.606 -1.704 74 HA LEU 9 HA LEU 9 6.634 -1.081 -3.621 75 1HB LEU 9 1HB LEU 9 4.941 -2.807 -4.655 76 2HB LEU 9 2HB LEU 9 3.697 -1.784 -3.974 77 HG LEU 9 HG LEU 9 4.607 0.149 -5.284 78 1HD1 LEU 9 1HD1 LEU 9 6.106 -0.315 -7.200 79 2HD1 LEU 9 2HD1 LEU 9 6.928 -0.573 -5.675 80 3HD1 LEU 9 3HD1 LEU 9 6.363 -1.957 -6.617 81 1HD2 LEU 9 1HD2 LEU 9 2.725 -1.259 -6.090 82 2HD2 LEU 9 2HD2 LEU 9 3.711 -0.591 -7.393 83 3HD2 LEU 9 3HD2 LEU 9 3.890 -2.299 -6.952 84 H VAL 10 H VAL 10 6.286 1.118 -3.520 85 HA VAL 10 HA VAL 10 4.299 2.184 -1.580 86 HB VAL 10 HB VAL 10 7.244 2.990 -1.918 87 1HG1 VAL 10 1HG1 VAL 10 5.176 3.634 0.221 88 2HG1 VAL 10 2HG1 VAL 10 6.892 4.105 0.277 89 3HG1 VAL 10 3HG1 VAL 10 5.828 4.726 -0.995 90 1HG2 VAL 10 1HG2 VAL 10 7.250 0.715 -0.945 91 2HG2 VAL 10 2HG2 VAL 10 7.628 1.891 0.310 92 3HG2 VAL 10 3HG2 VAL 10 5.998 1.185 0.223 93 H VAL 11 H VAL 11 2.862 3.015 -3.175 94 HA VAL 11 HA VAL 11 4.029 4.834 -5.245 95 HB VAL 11 HB VAL 11 1.306 3.516 -5.525 96 1HG1 VAL 11 1HG1 VAL 11 1.665 3.821 -7.869 97 2HG1 VAL 11 2HG1 VAL 11 1.993 5.368 -7.080 98 3HG1 VAL 11 3HG1 VAL 11 3.327 4.357 -7.622 99 1HG2 VAL 11 1HG2 VAL 11 2.385 1.747 -6.884 100 2HG2 VAL 11 2HG2 VAL 11 3.972 2.266 -6.294 101 3HG2 VAL 11 3HG2 VAL 11 2.747 1.598 -5.177 102 H ASP 12 H ASP 12 3.996 6.089 -2.982 103 HA ASP 12 HA ASP 12 1.452 7.300 -2.270 104 1HB ASP 12 1HB ASP 12 4.307 8.086 -1.587 105 2HB ASP 12 2HB ASP 12 2.876 8.893 -0.988 106 H ASP 13 H ASP 13 0.582 9.041 -3.209 107 HA ASP 13 HA ASP 13 1.531 10.301 -5.535 108 1HB ASP 13 1HB ASP 13 -0.808 10.321 -4.963 109 2HB ASP 13 2HB ASP 13 -0.505 11.207 -3.460 110 H PHE 14 H PHE 14 1.414 11.674 -2.191 111 HA PHE 14 HA PHE 14 3.082 13.920 -2.969 112 1HB PHE 14 1HB PHE 14 1.488 13.997 -1.011 113 2HB PHE 14 2HB PHE 14 2.489 12.838 -0.185 114 HD1 PHE 14 1HD PHE 14 3.832 13.930 1.544 115 HD2 PHE 14 2HD PHE 14 3.091 16.000 -2.176 116 HE1 PHE 14 1HE PHE 14 5.237 15.802 2.296 117 HE2 PHE 14 2HE PHE 14 4.551 17.827 -1.423 118 HZ PHE 14 HZ PHE 14 5.632 17.744 0.799 119 H SER 15 H SER 15 5.237 13.556 -3.565 120 HA SER 15 HA SER 15 6.400 11.104 -3.368 121 1HB SER 15 1HB SER 15 8.230 13.494 -3.320 122 2HB SER 15 2HB SER 15 8.313 12.027 -4.310 123 HG SER 15 HG SER 15 6.412 12.821 -5.415 124 H THR 16 H THR 16 7.026 13.852 -1.151 125 HA THR 16 HA THR 16 8.835 12.540 0.570 126 HB THR 16 HB THR 16 6.951 14.875 0.822 127 HG1 THR 16 1HG THR 16 9.349 15.694 0.956 128 1HG2 THR 16 1HG2 THR 16 7.228 14.175 3.113 129 2HG2 THR 16 2HG2 THR 16 8.984 13.990 2.891 130 3HG2 THR 16 3HG2 THR 16 8.215 15.603 2.825 131 H MET 17 H MET 17 5.291 12.140 0.320 132 HA MET 17 HA MET 17 4.986 11.019 2.957 133 1HB MET 17 1HB MET 17 3.148 11.977 1.598 134 2HB MET 17 2HB MET 17 3.217 10.562 0.533 135 1HG MET 17 1HG MET 17 2.522 9.165 2.340 136 2HG MET 17 2HG MET 17 2.768 10.459 3.508 137 1HE MET 17 1HE MET 17 0.390 8.781 0.956 138 2HE MET 17 2HE MET 17 -0.716 10.091 0.491 139 3HE MET 17 3HE MET 17 0.981 10.147 -0.010 140 H ARG 18 H ARG 18 5.998 9.710 -0.283 141 HA ARG 18 HA ARG 18 5.948 6.958 0.685 142 1HB ARG 18 1HB ARG 18 6.104 6.818 -1.575 143 2HB ARG 18 2HB ARG 18 6.977 8.317 -1.744 144 1HG ARG 18 1HG ARG 18 9.081 7.274 -1.184 145 2HG ARG 18 2HG ARG 18 8.284 5.779 -0.662 146 1HD ARG 18 1HD ARG 18 7.721 5.167 -2.871 147 2HD ARG 18 2HD ARG 18 8.117 6.764 -3.505 148 HE ARG 18 HE ARG 18 10.254 6.148 -3.745 149 1HH1 ARG 18 2HH2 ARG 18 8.840 3.589 -1.783 150 2HH1 ARG 18 1HH2 ARG 18 10.272 2.624 -1.801 151 1HH2 ARG 18 2HH1 ARG 18 11.968 4.924 -3.828 152 2HH2 ARG 18 1HH1 ARG 18 12.159 3.420 -3.011 153 H ARG 19 H ARG 19 8.343 9.613 0.709 154 HA ARG 19 HA ARG 19 10.493 7.981 1.743 155 1HB ARG 19 1HB ARG 19 9.979 10.946 1.565 156 2HB ARG 19 2HB ARG 19 11.110 10.395 2.790 157 1HG ARG 19 1HG ARG 19 12.358 10.930 0.830 158 2HG ARG 19 2HG ARG 19 12.431 9.197 1.127 159 1HD ARG 19 1HD ARG 19 10.643 8.906 -0.671 160 2HD ARG 19 2HD ARG 19 10.824 10.642 -1.029 161 HE ARG 19 HE ARG 19 13.384 9.447 -0.937 162 1HH1 ARG 19 2HH2 ARG 19 10.537 9.241 -3.149 163 2HH1 ARG 19 1HH2 ARG 19 11.482 8.744 -4.477 164 1HH2 ARG 19 2HH1 ARG 19 14.595 8.868 -2.716 165 2HH2 ARG 19 1HH1 ARG 19 13.820 8.431 -4.214 166 H ILE 20 H ILE 20 7.835 9.739 3.341 167 HA ILE 20 HA ILE 20 8.541 8.946 5.988 168 HB ILE 20 HB ILE 20 6.102 10.088 4.688 169 1HG1 ILE 20 1HG1 ILE 20 6.271 11.559 6.755 170 2HG1 ILE 20 2HG1 ILE 20 7.720 10.677 7.216 171 1HG2 ILE 20 1HG2 ILE 20 5.994 8.722 7.399 172 2HG2 ILE 20 2HG2 ILE 20 4.761 9.828 6.751 173 3HG2 ILE 20 3HG2 ILE 20 5.049 8.296 5.950 174 1HD1 ILE 20 1HD1 ILE 20 8.815 11.480 5.094 175 2HD1 ILE 20 2HD1 ILE 20 7.317 12.375 4.721 176 3HD1 ILE 20 3HD1 ILE 20 8.276 12.796 6.144 177 H VAL 21 H VAL 21 6.023 7.373 3.819 178 HA VAL 21 HA VAL 21 5.537 5.198 5.414 179 HB VAL 21 HB VAL 21 5.661 5.268 2.342 180 1HG1 VAL 21 1HG1 VAL 21 4.132 3.339 2.407 181 2HG1 VAL 21 2HG1 VAL 21 5.722 2.927 3.007 182 3HG1 VAL 21 3HG1 VAL 21 4.387 3.173 4.161 183 1HG2 VAL 21 1HG2 VAL 21 3.335 5.475 4.341 184 2HG2 VAL 21 2HG2 VAL 21 3.998 6.833 3.404 185 3HG2 VAL 21 3HG2 VAL 21 3.204 5.515 2.571 186 H ARG 22 H ARG 22 8.099 5.320 2.916 187 HA ARG 22 HA ARG 22 9.160 2.739 3.403 188 1HB ARG 22 1HB ARG 22 9.668 4.023 1.403 189 2HB ARG 22 2HB ARG 22 10.517 5.269 2.338 190 1HG ARG 22 1HG ARG 22 11.369 2.412 2.572 191 2HG ARG 22 2HG ARG 22 11.789 3.252 1.085 192 1HD ARG 22 1HD ARG 22 12.571 4.253 3.869 193 2HD ARG 22 2HD ARG 22 13.570 3.198 2.867 194 HE ARG 22 HE ARG 22 12.885 5.363 1.237 195 1HH1 ARG 22 2HH2 ARG 22 14.826 4.883 4.207 196 2HH1 ARG 22 1HH2 ARG 22 16.147 5.819 3.604 197 1HH2 ARG 22 2HH1 ARG 22 14.463 6.770 0.601 198 2HH2 ARG 22 1HH1 ARG 22 15.952 6.886 1.456 199 H ASN 23 H ASN 23 10.019 5.936 4.914 200 HA ASN 23 HA ASN 23 12.054 4.851 6.581 201 1HB ASN 23 1HB ASN 23 11.729 7.262 6.227 202 2HB ASN 23 2HB ASN 23 10.224 7.225 7.153 203 1HD2 ASN 23 1HD2 ASN 23 10.514 7.825 9.372 204 2HD2 ASN 23 2HD2 ASN 23 11.999 7.569 10.221 205 H LEU 24 H LEU 24 8.541 5.282 7.193 206 HA LEU 24 HA LEU 24 8.551 4.379 9.890 207 1HB LEU 24 1HB LEU 24 6.344 4.078 7.818 208 2HB LEU 24 2HB LEU 24 6.142 3.944 9.553 209 HG LEU 24 HG LEU 24 6.911 6.478 8.058 210 1HD1 LEU 24 1HD1 LEU 24 4.632 7.206 8.631 211 2HD1 LEU 24 2HD1 LEU 24 4.685 5.810 7.551 212 3HD1 LEU 24 3HD1 LEU 24 4.295 5.565 9.256 213 1HD2 LEU 24 1HD2 LEU 24 6.380 7.634 10.219 214 2HD2 LEU 24 2HD2 LEU 24 6.566 6.058 11.014 215 3HD2 LEU 24 3HD2 LEU 24 7.914 6.767 10.147 216 H LEU 25 H LEU 25 8.203 2.577 6.827 217 HA LEU 25 HA LEU 25 7.808 0.004 8.042 218 1HB LEU 25 1HB LEU 25 8.650 1.035 5.326 219 2HB LEU 25 2HB LEU 25 8.832 -0.677 5.657 220 HG LEU 25 HG LEU 25 6.196 0.751 6.181 221 1HD1 LEU 25 1HD1 LEU 25 6.815 1.074 3.815 222 2HD1 LEU 25 2HD1 LEU 25 7.034 -0.684 3.640 223 3HD1 LEU 25 3HD1 LEU 25 5.431 -0.009 4.009 224 1HD2 LEU 25 1HD2 LEU 25 6.435 -1.472 7.251 225 2HD2 LEU 25 2HD2 LEU 25 5.302 -1.564 5.905 226 3HD2 LEU 25 3HD2 LEU 25 6.948 -2.179 5.706 227 H LYS 26 H LYS 26 10.786 1.668 6.871 228 HA LYS 26 HA LYS 26 12.486 -0.509 7.698 229 1HB LYS 26 1HB LYS 26 13.066 2.417 7.106 230 2HB LYS 26 2HB LYS 26 14.300 1.246 7.532 231 1HG LYS 26 1HG LYS 26 12.886 -0.032 5.429 232 2HG LYS 26 2HG LYS 26 12.912 1.664 4.978 233 1HD LYS 26 1HD LYS 26 14.854 0.930 4.000 234 2HD LYS 26 2HD LYS 26 15.463 1.575 5.510 235 1HE LYS 26 1HE LYS 26 15.144 -1.324 4.642 236 2HE LYS 26 2HE LYS 26 16.605 -0.463 5.117 237 1HZ LYS 26 1HZ LYS 26 15.611 -0.384 7.402 238 2HZ LYS 26 2HZ LYS 26 14.470 -1.488 6.861 239 3HZ LYS 26 3HZ LYS 26 16.055 -1.851 6.896 240 H GLU 27 H GLU 27 11.194 2.294 9.479 241 HA GLU 27 HA GLU 27 12.782 2.077 11.816 242 1HB GLU 27 1HB GLU 27 9.891 2.912 11.358 243 2HB GLU 27 2HB GLU 27 10.614 2.941 12.944 244 1HG GLU 27 1HG GLU 27 12.115 4.369 10.768 245 2HG GLU 27 2HG GLU 27 10.570 5.057 11.294 246 H LEU 28 H LEU 28 9.744 0.389 10.871 247 HA LEU 28 HA LEU 28 9.671 -1.234 13.269 248 1HB LEU 28 1HB LEU 28 8.328 -1.539 10.561 249 2HB LEU 28 2HB LEU 28 7.982 -2.573 11.948 250 HG LEU 28 HG LEU 28 7.640 0.456 11.982 251 1HD1 LEU 28 1HD1 LEU 28 6.147 -0.491 10.292 252 2HD1 LEU 28 2HD1 LEU 28 5.547 -1.686 11.470 253 3HD1 LEU 28 3HD1 LEU 28 5.231 0.045 11.710 254 1HD2 LEU 28 1HD2 LEU 28 6.187 0.015 13.929 255 2HD2 LEU 28 2HD2 LEU 28 6.572 -1.712 13.837 256 3HD2 LEU 28 3HD2 LEU 28 7.833 -0.522 14.238 257 H GLY 29 H GLY 29 11.255 -1.548 10.164 258 1HA GLY 29 1HA GLY 29 13.442 -2.671 10.443 259 2HA GLY 29 2HA GLY 29 12.588 -4.071 11.089 260 H PHE 30 H PHE 30 10.747 -2.742 8.565 261 HA PHE 30 HA PHE 30 11.269 -5.037 6.890 262 1HB PHE 30 1HB PHE 30 9.566 -2.549 6.521 263 2HB PHE 30 2HB PHE 30 9.607 -3.876 5.369 264 HD1 PHE 30 1HD PHE 30 8.730 -2.998 8.900 265 HD2 PHE 30 2HD PHE 30 8.392 -5.918 5.742 266 HE1 PHE 30 1HE PHE 30 7.144 -4.306 10.279 267 HE2 PHE 30 2HE PHE 30 6.745 -7.170 7.099 268 HZ PHE 30 HZ PHE 30 6.155 -6.397 9.375 269 H ASN 31 H ASN 31 11.513 -4.576 4.406 270 HA ASN 31 HA ASN 31 13.703 -2.699 3.877 271 1HB ASN 31 1HB ASN 31 15.304 -4.309 3.394 272 2HB ASN 31 2HB ASN 31 14.573 -4.947 4.849 273 1HD2 ASN 31 1HD2 ASN 31 13.187 -6.885 4.670 274 2HD2 ASN 31 2HD2 ASN 31 13.282 -7.868 3.218 275 H ASN 32 H ASN 32 14.428 -3.278 1.447 276 HA ASN 32 HA ASN 32 14.078 -3.503 -0.692 277 1HB ASN 32 1HB ASN 32 12.222 -5.478 0.382 278 2HB ASN 32 2HB ASN 32 11.577 -4.722 -1.071 279 1HD2 ASN 32 1HD2 ASN 32 13.960 -6.950 0.121 280 2HD2 ASN 32 2HD2 ASN 32 14.648 -7.290 -1.483 281 H VAL 33 H VAL 33 10.811 -2.835 0.519 282 HA VAL 33 HA VAL 33 9.205 -1.281 -0.388 283 HB VAL 33 HB VAL 33 10.046 0.880 0.773 284 1HG1 VAL 33 1HG1 VAL 33 9.573 -0.119 2.963 285 2HG1 VAL 33 2HG1 VAL 33 8.443 -0.665 1.725 286 3HG1 VAL 33 3HG1 VAL 33 9.747 -1.745 2.279 287 1HG2 VAL 33 1HG2 VAL 33 12.242 -1.058 1.678 288 2HG2 VAL 33 2HG2 VAL 33 12.470 0.459 0.786 289 3HG2 VAL 33 3HG2 VAL 33 11.864 0.424 2.462 290 H GLU 34 H GLU 34 9.561 -1.707 -2.631 291 HA GLU 34 HA GLU 34 11.027 0.195 -4.235 292 1HB GLU 34 1HB GLU 34 9.778 -2.399 -4.566 293 2HB GLU 34 2HB GLU 34 8.986 -1.324 -5.682 294 1HG GLU 34 1HG GLU 34 11.949 -1.870 -5.500 295 2HG GLU 34 2HG GLU 34 10.843 -2.371 -6.783 296 H GLU 35 H GLU 35 9.298 0.919 -6.268 297 HA GLU 35 HA GLU 35 7.046 2.398 -5.157 298 1HB GLU 35 1HB GLU 35 8.272 4.467 -6.364 299 2HB GLU 35 2HB GLU 35 8.523 4.083 -4.669 300 1HG GLU 35 1HG GLU 35 10.605 3.123 -5.012 301 2HG GLU 35 2HG GLU 35 10.317 2.844 -6.726 302 H ALA 36 H ALA 36 6.139 3.756 -7.059 303 HA ALA 36 HA ALA 36 6.873 2.855 -9.689 304 1HB ALA 36 1HB ALA 36 4.642 2.112 -10.305 305 2HB ALA 36 2HB ALA 36 5.183 1.134 -8.947 306 3HB ALA 36 3HB ALA 36 4.009 2.450 -8.699 307 H GLU 37 H GLU 37 5.762 4.312 -11.334 308 HA GLU 37 HA GLU 37 5.651 6.995 -10.531 309 1HB GLU 37 1HB GLU 37 4.616 5.419 -12.928 310 2HB GLU 37 2HB GLU 37 4.692 7.173 -12.906 311 1HG GLU 37 1HG GLU 37 7.216 5.607 -12.229 312 2HG GLU 37 2HG GLU 37 6.648 5.646 -13.860 313 H ASP 38 H ASP 38 3.103 4.492 -10.815 314 HA ASP 38 HA ASP 38 1.055 5.957 -9.554 315 1HB ASP 38 1HB ASP 38 -0.316 6.570 -11.333 316 2HB ASP 38 2HB ASP 38 1.247 7.021 -11.992 317 H GLY 39 H GLY 39 -1.062 4.529 -9.905 318 1HA GLY 39 1HA GLY 39 -0.709 1.875 -9.416 319 2HA GLY 39 2HA GLY 39 -2.164 2.551 -10.119 320 H VAL 40 H VAL 40 -0.878 3.263 -12.810 321 HA VAL 40 HA VAL 40 -1.220 0.668 -14.016 322 HB VAL 40 HB VAL 40 0.007 3.195 -15.204 323 1HG1 VAL 40 1HG1 VAL 40 -1.123 0.704 -16.567 324 2HG1 VAL 40 2HG1 VAL 40 -0.539 2.172 -17.383 325 3HG1 VAL 40 3HG1 VAL 40 0.591 1.152 -16.495 326 1HG2 VAL 40 1HG2 VAL 40 -2.354 3.552 -14.502 327 2HG2 VAL 40 2HG2 VAL 40 -2.183 3.533 -16.256 328 3HG2 VAL 40 3HG2 VAL 40 -2.843 2.109 -15.419 329 H ASP 41 H ASP 41 1.670 2.718 -13.331 330 HA ASP 41 HA ASP 41 3.599 0.766 -14.150 331 1HB ASP 41 1HB ASP 41 4.021 3.211 -13.802 332 2HB ASP 41 2HB ASP 41 3.836 2.991 -12.089 333 H ALA 42 H ALA 42 1.861 1.299 -11.021 334 HA ALA 42 HA ALA 42 3.410 -0.325 -9.420 335 1HB ALA 42 1HB ALA 42 1.466 1.196 -8.740 336 2HB ALA 42 2HB ALA 42 0.374 -0.077 -9.294 337 3HB ALA 42 3HB ALA 42 1.453 -0.404 -7.956 338 H LEU 43 H LEU 43 0.629 -1.161 -11.487 339 HA LEU 43 HA LEU 43 0.481 -3.872 -10.789 340 1HB LEU 43 1HB LEU 43 -0.965 -2.246 -12.458 341 2HB LEU 43 2HB LEU 43 -0.097 -3.232 -13.633 342 HG LEU 43 HG LEU 43 -0.862 -5.233 -12.041 343 1HD1 LEU 43 1HD1 LEU 43 -3.056 -3.223 -11.443 344 2HD1 LEU 43 2HD1 LEU 43 -2.970 -4.926 -10.934 345 3HD1 LEU 43 3HD1 LEU 43 -1.819 -3.756 -10.287 346 1HD2 LEU 43 1HD2 LEU 43 -1.560 -5.025 -14.363 347 2HD2 LEU 43 2HD2 LEU 43 -2.956 -5.471 -13.375 348 3HD2 LEU 43 3HD2 LEU 43 -2.765 -3.793 -13.939 349 H ASN 44 H ASN 44 2.560 -2.319 -13.263 350 HA ASN 44 HA ASN 44 3.703 -4.750 -14.307 351 1HB ASN 44 1HB ASN 44 4.121 -2.782 -15.596 352 2HB ASN 44 2HB ASN 44 4.787 -1.910 -14.211 353 1HD2 ASN 44 1HD2 ASN 44 5.508 -4.438 -16.645 354 2HD2 ASN 44 2HD2 ASN 44 7.212 -4.568 -16.207 355 H LYS 45 H LYS 45 4.703 -2.580 -11.599 356 HA LYS 45 HA LYS 45 7.007 -4.122 -10.871 357 1HB LYS 45 1HB LYS 45 5.268 -2.150 -9.413 358 2HB LYS 45 2HB LYS 45 6.254 -3.239 -8.463 359 1HG LYS 45 1HG LYS 45 7.434 -1.169 -8.812 360 2HG LYS 45 2HG LYS 45 8.301 -2.480 -9.597 361 1HD LYS 45 1HD LYS 45 7.948 -1.637 -11.712 362 2HD LYS 45 2HD LYS 45 6.356 -0.999 -11.301 363 1HE LYS 45 1HE LYS 45 7.796 0.835 -11.796 364 2HE LYS 45 2HE LYS 45 7.293 0.875 -10.107 365 1HZ LYS 45 1HZ LYS 45 9.923 -0.033 -11.078 366 2HZ LYS 45 2HZ LYS 45 9.582 1.422 -10.403 367 3HZ LYS 45 3HZ LYS 45 9.486 0.097 -9.460 368 H LEU 46 H LEU 46 3.575 -4.531 -9.811 369 HA LEU 46 HA LEU 46 4.095 -6.713 -8.066 370 1HB LEU 46 1HB LEU 46 1.605 -6.774 -9.783 371 2HB LEU 46 2HB LEU 46 1.816 -7.324 -8.123 372 HG LEU 46 HG LEU 46 1.687 -4.501 -9.134 373 1HD1 LEU 46 1HD1 LEU 46 -0.246 -5.907 -7.341 374 2HD1 LEU 46 2HD1 LEU 46 -0.389 -4.324 -8.163 375 3HD1 LEU 46 3HD1 LEU 46 -0.412 -5.806 -9.114 376 1HD2 LEU 46 1HD2 LEU 46 1.899 -5.344 -6.222 377 2HD2 LEU 46 2HD2 LEU 46 3.199 -4.563 -7.144 378 3HD2 LEU 46 3HD2 LEU 46 1.698 -3.690 -6.860 379 H GLN 47 H GLN 47 3.594 -6.659 -11.586 380 HA GLN 47 HA GLN 47 3.957 -9.509 -11.945 381 1HB GLN 47 1HB GLN 47 4.013 -7.186 -13.902 382 2HB GLN 47 2HB GLN 47 4.107 -8.890 -14.351 383 1HG GLN 47 1HG GLN 47 1.946 -9.309 -13.193 384 2HG GLN 47 2HG GLN 47 1.765 -7.562 -12.968 385 1HE2 GLN 47 1HE2 GLN 47 0.277 -9.702 -14.789 386 2HE2 GLN 47 2HE2 GLN 47 0.356 -8.948 -16.365 387 H ALA 48 H ALA 48 6.177 -7.997 -10.465 388 HA ALA 48 HA ALA 48 8.356 -9.441 -11.916 389 1HB ALA 48 1HB ALA 48 8.610 -7.538 -9.565 390 2HB ALA 48 2HB ALA 48 9.921 -8.232 -10.534 391 3HB ALA 48 3HB ALA 48 8.828 -7.040 -11.252 392 H GLY 49 H GLY 49 6.013 -9.754 -9.490 393 1HA GLY 49 1HA GLY 49 5.580 -11.362 -7.962 394 2HA GLY 49 2HA GLY 49 6.945 -12.295 -8.611 395 H GLY 50 H GLY 50 6.401 -12.416 -5.911 396 1HA GLY 50 1HA GLY 50 7.569 -12.418 -3.956 397 2HA GLY 50 2HA GLY 50 8.893 -11.541 -4.720 398 H TYR 51 H TYR 51 6.155 -9.730 -5.398 399 HA TYR 51 HA TYR 51 6.599 -7.799 -3.256 400 1HB TYR 51 1HB TYR 51 4.613 -8.053 -5.536 401 2HB TYR 51 2HB TYR 51 4.341 -6.933 -4.211 402 HD1 TYR 51 1HD TYR 51 5.623 -4.940 -3.916 403 HD2 TYR 51 2HD TYR 51 6.715 -7.774 -6.988 404 HE1 TYR 51 1HE TYR 51 7.186 -3.285 -4.902 405 HE2 TYR 51 2HE TYR 51 8.256 -6.099 -7.967 406 HH TYR 51 HH TYR 51 8.512 -2.763 -6.802 407 H GLY 52 H GLY 52 6.038 -8.360 -1.260 408 1HA GLY 52 1HA GLY 52 3.788 -10.226 -0.732 409 2HA GLY 52 2HA GLY 52 4.918 -9.530 0.435 410 H PHE 53 H PHE 53 4.268 -6.825 -1.259 411 HA PHE 53 HA PHE 53 1.824 -6.114 0.212 412 1HB PHE 53 1HB PHE 53 4.318 -6.011 1.446 413 2HB PHE 53 2HB PHE 53 4.213 -4.414 0.746 414 HD1 PHE 53 1HD PHE 53 3.342 -6.474 3.498 415 HD2 PHE 53 2HD PHE 53 1.992 -3.051 1.239 416 HE1 PHE 53 1HE PHE 53 2.150 -5.640 5.467 417 HE2 PHE 53 2HE PHE 53 0.711 -2.271 3.196 418 HZ PHE 53 HZ PHE 53 0.827 -3.496 5.334 419 H VAL 54 H VAL 54 0.827 -4.274 -0.567 420 HA VAL 54 HA VAL 54 2.196 -2.682 -2.674 421 HB VAL 54 HB VAL 54 -0.732 -3.495 -2.779 422 1HG1 VAL 54 1HG1 VAL 54 -0.354 -3.270 -5.248 423 2HG1 VAL 54 2HG1 VAL 54 -0.112 -1.762 -4.369 424 3HG1 VAL 54 3HG1 VAL 54 1.284 -2.739 -4.912 425 1HG2 VAL 54 1HG2 VAL 54 1.523 -5.131 -3.955 426 2HG2 VAL 54 2HG2 VAL 54 0.385 -5.623 -2.679 427 3HG2 VAL 54 3HG2 VAL 54 -0.228 -5.297 -4.290 428 H ILE 55 H ILE 55 2.317 -0.557 -1.760 429 HA ILE 55 HA ILE 55 -0.047 0.330 -0.161 430 HB ILE 55 HB ILE 55 2.941 0.915 0.090 431 1HG1 ILE 55 1HG1 ILE 55 1.179 0.548 2.489 432 2HG1 ILE 55 2HG1 ILE 55 1.282 -0.868 1.447 433 1HG2 ILE 55 1HG2 ILE 55 1.988 3.103 0.165 434 2HG2 ILE 55 2HG2 ILE 55 0.565 2.528 1.054 435 3HG2 ILE 55 3HG2 ILE 55 2.141 2.614 1.858 436 1HD1 ILE 55 1HD1 ILE 55 3.006 -0.952 3.205 437 2HD1 ILE 55 2HD1 ILE 55 3.705 -0.893 1.578 438 3HD1 ILE 55 3HD1 ILE 55 3.700 0.565 2.601 439 H SER 56 H SER 56 -1.092 2.162 -1.027 440 HA SER 56 HA SER 56 0.485 3.837 -2.851 441 1HB SER 56 1HB SER 56 -1.107 3.802 -4.676 442 2HB SER 56 2HB SER 56 -0.555 2.152 -4.373 443 HG SER 56 HG SER 56 -3.015 3.378 -3.751 444 H ASP 57 H ASP 57 -0.575 5.853 -3.348 445 HA ASP 57 HA ASP 57 -2.587 6.781 -1.383 446 1HB ASP 57 1HB ASP 57 -0.734 8.271 -1.951 447 2HB ASP 57 2HB ASP 57 -1.146 8.187 -3.650 448 H TRP 58 H TRP 58 -4.142 8.316 -3.202 449 HA TRP 58 HA TRP 58 -5.785 6.200 -4.472 450 1HB TRP 58 1HB TRP 58 -6.641 7.111 -2.308 451 2HB TRP 58 2HB TRP 58 -6.602 8.734 -2.977 452 HD1 TRP 58 HD TRP 58 -8.240 8.999 -5.323 453 HE1 TRP 58 1HE TRP 58 -10.442 7.942 -5.868 454 HE3 TRP 58 3HE TRP 58 -8.198 5.301 -1.808 455 HZ2 TRP 58 2HZ TRP 58 -12.239 5.960 -4.650 456 HZ3 TRP 58 3HZ TRP 58 -10.166 3.796 -1.569 457 HH2 TRP 58 HH TRP 58 -12.163 4.124 -2.936 458 H ASN 59 H ASN 59 -4.900 9.638 -4.404 459 HA ASN 59 HA ASN 59 -6.513 10.484 -6.605 460 1HB ASN 59 1HB ASN 59 -4.214 11.740 -5.035 461 2HB ASN 59 2HB ASN 59 -5.090 12.592 -6.291 462 1HD2 ASN 59 1HD2 ASN 59 -5.065 13.777 -3.887 463 2HD2 ASN 59 2HD2 ASN 59 -6.664 13.668 -3.153 464 H MET 60 H MET 60 -5.857 9.062 -8.396 465 HA MET 60 HA MET 60 -3.485 10.094 -9.829 466 1HB MET 60 1HB MET 60 -3.952 7.267 -8.897 467 2HB MET 60 2HB MET 60 -3.324 7.469 -10.533 468 1HG MET 60 1HG MET 60 -1.367 8.557 -9.823 469 2HG MET 60 2HG MET 60 -2.043 8.949 -8.252 470 1HE MET 60 1HE MET 60 0.544 6.876 -6.643 471 2HE MET 60 2HE MET 60 0.920 7.843 -8.092 472 3HE MET 60 3HE MET 60 -0.235 8.437 -6.880 473 HA PRO 61 HA PRO 61 -6.454 9.497 -13.217 474 1HB PRO 61 1HB PRO 61 -4.873 9.804 -15.378 475 2HB PRO 61 2HB PRO 61 -5.121 11.175 -14.254 476 1HG PRO 61 1HG PRO 61 -2.792 9.231 -14.345 477 2HG PRO 61 2HG PRO 61 -2.731 11.019 -14.275 478 1HD PRO 61 1HD PRO 61 -2.570 9.342 -12.048 479 2HD PRO 61 2HD PRO 61 -3.188 11.015 -11.989 480 H ASN 62 H ASN 62 -6.387 8.002 -15.232 481 HA ASN 62 HA ASN 62 -6.396 5.955 -16.127 482 1HB ASN 62 1HB ASN 62 -3.505 5.935 -15.159 483 2HB ASN 62 2HB ASN 62 -4.216 4.726 -16.220 484 1HD2 ASN 62 1HD2 ASN 62 -2.437 7.562 -16.234 485 2HD2 ASN 62 2HD2 ASN 62 -2.835 8.127 -17.856 486 H MET 63 H MET 63 -4.204 4.903 -13.577 487 HA MET 63 HA MET 63 -6.291 3.096 -12.519 488 1HB MET 63 1HB MET 63 -4.102 2.097 -13.385 489 2HB MET 63 2HB MET 63 -3.316 2.918 -12.037 490 1HG MET 63 1HG MET 63 -3.821 1.027 -10.879 491 2HG MET 63 2HG MET 63 -5.432 1.705 -10.769 492 1HE MET 63 1HE MET 63 -3.058 -0.932 -12.237 493 2HE MET 63 2HE MET 63 -3.985 -1.716 -13.537 494 3HE MET 63 3HE MET 63 -3.378 -0.062 -13.752 495 H ASP 64 H ASP 64 -7.242 5.006 -11.593 496 HA ASP 64 HA ASP 64 -6.171 6.436 -9.337 497 1HB ASP 64 1HB ASP 64 -8.260 7.120 -10.226 498 2HB ASP 64 2HB ASP 64 -8.908 5.499 -10.233 499 H GLY 65 H GLY 65 -6.264 5.793 -7.068 500 1HA GLY 65 1HA GLY 65 -5.057 3.294 -6.695 501 2HA GLY 65 2HA GLY 65 -5.715 4.287 -5.395 502 H LEU 66 H LEU 66 -8.540 4.024 -6.636 503 HA LEU 66 HA LEU 66 -9.201 1.583 -5.210 504 1HB LEU 66 1HB LEU 66 -10.544 3.815 -5.504 505 2HB LEU 66 2HB LEU 66 -11.101 3.138 -7.013 506 HG LEU 66 HG LEU 66 -12.549 2.968 -4.912 507 1HD1 LEU 66 1HD1 LEU 66 -13.561 0.872 -5.421 508 2HD1 LEU 66 2HD1 LEU 66 -13.066 1.670 -6.936 509 3HD1 LEU 66 3HD1 LEU 66 -12.111 0.321 -6.288 510 1HD2 LEU 66 1HD2 LEU 66 -10.712 2.063 -3.411 511 2HD2 LEU 66 2HD2 LEU 66 -12.238 1.158 -3.390 512 3HD2 LEU 66 3HD2 LEU 66 -10.874 0.530 -4.311 513 H GLU 67 H GLU 67 -8.691 2.542 -8.558 514 HA GLU 67 HA GLU 67 -9.739 0.120 -9.776 515 1HB GLU 67 1HB GLU 67 -7.586 1.931 -10.910 516 2HB GLU 67 2HB GLU 67 -8.617 0.833 -11.787 517 1HG GLU 67 1HG GLU 67 -9.451 3.385 -10.374 518 2HG GLU 67 2HG GLU 67 -9.165 3.204 -12.100 519 H LEU 68 H LEU 68 -6.545 1.307 -8.641 520 HA LEU 68 HA LEU 68 -5.027 -0.943 -9.477 521 1HB LEU 68 1HB LEU 68 -3.989 1.161 -8.638 522 2HB LEU 68 2HB LEU 68 -4.593 0.814 -7.026 523 HG LEU 68 HG LEU 68 -3.210 -1.254 -6.932 524 1HD1 LEU 68 1HD1 LEU 68 -2.120 -0.312 -9.618 525 2HD1 LEU 68 2HD1 LEU 68 -1.357 -1.553 -8.619 526 3HD1 LEU 68 3HD1 LEU 68 -2.953 -1.837 -9.308 527 1HD2 LEU 68 1HD2 LEU 68 -1.033 -0.093 -6.694 528 2HD2 LEU 68 2HD2 LEU 68 -1.721 1.325 -7.527 529 3HD2 LEU 68 3HD2 LEU 68 -2.376 0.805 -5.974 530 H LEU 69 H LEU 69 -6.679 -0.297 -6.387 531 HA LEU 69 HA LEU 69 -6.227 -2.766 -5.089 532 1HB LEU 69 1HB LEU 69 -7.082 -1.188 -3.702 533 2HB LEU 69 2HB LEU 69 -8.216 -0.560 -4.888 534 HG LEU 69 HG LEU 69 -9.833 -2.174 -4.477 535 1HD1 LEU 69 1HD1 LEU 69 -9.812 -4.022 -3.023 536 2HD1 LEU 69 2HD1 LEU 69 -8.341 -4.248 -3.958 537 3HD1 LEU 69 3HD1 LEU 69 -8.254 -3.600 -2.322 538 1HD2 LEU 69 1HD2 LEU 69 -8.518 -1.263 -1.894 539 2HD2 LEU 69 2HD2 LEU 69 -9.712 -0.356 -2.779 540 3HD2 LEU 69 3HD2 LEU 69 -10.192 -1.851 -1.970 541 H LYS 70 H LYS 70 -9.114 -1.843 -7.095 542 HA LYS 70 HA LYS 70 -10.159 -4.511 -6.817 543 1HB LYS 70 1HB LYS 70 -10.784 -2.342 -8.844 544 2HB LYS 70 2HB LYS 70 -11.622 -3.907 -8.758 545 1HG LYS 70 1HG LYS 70 -12.243 -3.442 -6.399 546 2HG LYS 70 2HG LYS 70 -11.535 -1.826 -6.535 547 1HD LYS 70 1HD LYS 70 -13.124 -1.181 -8.251 548 2HD LYS 70 2HD LYS 70 -13.622 -2.863 -8.502 549 1HE LYS 70 1HE LYS 70 -14.560 -2.913 -6.190 550 2HE LYS 70 2HE LYS 70 -14.246 -1.167 -6.061 551 1HZ LYS 70 1HZ LYS 70 -15.766 -0.773 -7.821 552 2HZ LYS 70 2HZ LYS 70 -15.873 -2.376 -8.207 553 3HZ LYS 70 3HZ LYS 70 -16.523 -1.828 -6.807 554 H THR 71 H THR 71 -8.021 -3.139 -9.315 555 HA THR 71 HA THR 71 -8.148 -5.303 -11.142 556 HB THR 71 HB THR 71 -5.866 -3.385 -10.481 557 HG1 THR 71 1HG THR 71 -7.530 -2.231 -11.171 558 1HG2 THR 71 1HG2 THR 71 -6.313 -5.065 -12.992 559 2HG2 THR 71 2HG2 THR 71 -5.056 -3.835 -12.754 560 3HG2 THR 71 3HG2 THR 71 -5.034 -5.321 -11.795 561 H ILE 72 H ILE 72 -6.025 -4.707 -8.283 562 HA ILE 72 HA ILE 72 -4.574 -7.171 -8.447 563 HB ILE 72 HB ILE 72 -5.120 -5.051 -6.333 564 1HG1 ILE 72 1HG1 ILE 72 -2.485 -5.991 -7.542 565 2HG1 ILE 72 2HG1 ILE 72 -3.477 -4.784 -8.346 566 1HG2 ILE 72 1HG2 ILE 72 -3.435 -6.180 -4.867 567 2HG2 ILE 72 2HG2 ILE 72 -4.917 -7.109 -5.016 568 3HG2 ILE 72 3HG2 ILE 72 -3.487 -7.572 -5.947 569 1HD1 ILE 72 1HD1 ILE 72 -1.956 -3.485 -7.064 570 2HD1 ILE 72 2HD1 ILE 72 -3.454 -3.429 -6.174 571 3HD1 ILE 72 3HD1 ILE 72 -2.150 -4.516 -5.637 572 H ARG 73 H ARG 73 -7.472 -6.158 -6.593 573 HA ARG 73 HA ARG 73 -7.695 -8.480 -5.070 574 1HB ARG 73 1HB ARG 73 -9.153 -6.067 -5.341 575 2HB ARG 73 2HB ARG 73 -10.341 -7.290 -5.638 576 1HG ARG 73 1HG ARG 73 -8.576 -7.828 -3.256 577 2HG ARG 73 2HG ARG 73 -9.480 -6.337 -3.168 578 1HD ARG 73 1HD ARG 73 -10.702 -8.062 -2.057 579 2HD ARG 73 2HD ARG 73 -11.601 -7.505 -3.452 580 HE ARG 73 HE ARG 73 -10.152 -10.082 -3.126 581 1HH1 ARG 73 2HH2 ARG 73 -12.533 -8.169 -4.994 582 2HH1 ARG 73 1HH2 ARG 73 -13.194 -9.534 -5.796 583 1HH2 ARG 73 2HH1 ARG 73 -11.075 -11.879 -4.214 584 2HH2 ARG 73 1HH1 ARG 73 -12.232 -11.677 -5.476 585 H ALA 74 H ALA 74 -8.736 -7.981 -8.371 586 HA ALA 74 HA ALA 74 -10.733 -9.836 -8.680 587 1HB ALA 74 1HB ALA 74 -10.069 -9.960 -11.047 588 2HB ALA 74 2HB ALA 74 -9.997 -8.293 -10.451 589 3HB ALA 74 3HB ALA 74 -8.500 -9.229 -10.662 590 H ASP 75 H ASP 75 -7.274 -10.671 -9.423 591 HA ASP 75 HA ASP 75 -7.387 -13.324 -8.452 592 1HB ASP 75 1HB ASP 75 -7.664 -14.623 -10.440 593 2HB ASP 75 2HB ASP 75 -9.102 -13.661 -10.224 594 H GLY 76 H GLY 76 -5.784 -14.101 -11.118 595 1HA GLY 76 1HA GLY 76 -3.579 -14.177 -11.692 596 2HA GLY 76 2HA GLY 76 -3.452 -12.506 -11.141 597 H ALA 77 H ALA 77 -4.556 -14.664 -8.770 598 HA ALA 77 HA ALA 77 -3.974 -14.988 -6.680 599 1HB ALA 77 1HB ALA 77 -2.445 -16.704 -7.548 600 2HB ALA 77 2HB ALA 77 -1.132 -15.490 -7.589 601 3HB ALA 77 3HB ALA 77 -1.870 -15.965 -6.053 602 H MET 78 H MET 78 -3.387 -12.220 -8.147 603 HA MET 78 HA MET 78 -1.728 -10.905 -6.165 604 1HB MET 78 1HB MET 78 -3.766 -9.581 -7.939 605 2HB MET 78 2HB MET 78 -2.315 -8.872 -7.251 606 1HG MET 78 1HG MET 78 -0.917 -10.154 -8.789 607 2HG MET 78 2HG MET 78 -2.346 -10.941 -9.483 608 1HE MET 78 1HE MET 78 -4.011 -9.805 -11.270 609 2HE MET 78 2HE MET 78 -4.549 -8.962 -9.806 610 3HE MET 78 3HE MET 78 -4.232 -8.039 -11.269 611 H SER 79 H SER 79 -4.901 -12.070 -6.371 612 HA SER 79 HA SER 79 -6.334 -10.166 -4.919 613 1HB SER 79 1HB SER 79 -7.980 -11.971 -4.506 614 2HB SER 79 2HB SER 79 -7.445 -11.856 -6.189 615 HG SER 79 HG SER 79 -7.619 -13.969 -5.074 616 H ALA 80 H ALA 80 -4.023 -12.441 -3.677 617 HA ALA 80 HA ALA 80 -4.824 -12.112 -0.870 618 1HB ALA 80 1HB ALA 80 -2.387 -13.448 -2.120 619 2HB ALA 80 2HB ALA 80 -2.939 -13.611 -0.440 620 3HB ALA 80 3HB ALA 80 -3.929 -14.264 -1.755 621 H LEU 81 H LEU 81 -3.173 -10.035 -3.007 622 HA LEU 81 HA LEU 81 -0.947 -9.261 -1.349 623 1HB LEU 81 1HB LEU 81 -2.433 -7.917 -3.623 624 2HB LEU 81 2HB LEU 81 -1.214 -7.068 -2.725 625 HG LEU 81 HG LEU 81 -0.699 -9.656 -4.231 626 1HD1 LEU 81 1HD1 LEU 81 0.583 -7.105 -5.134 627 2HD1 LEU 81 2HD1 LEU 81 0.014 -8.466 -6.067 628 3HD1 LEU 81 3HD1 LEU 81 -1.144 -7.258 -5.477 629 1HD2 LEU 81 1HD2 LEU 81 1.159 -7.715 -2.762 630 2HD2 LEU 81 2HD2 LEU 81 0.913 -9.434 -2.416 631 3HD2 LEU 81 3HD2 LEU 81 1.710 -8.941 -3.910 632 HA PRO 82 HA PRO 82 -3.475 -6.558 1.282 633 1HB PRO 82 1HB PRO 82 -1.511 -5.498 2.829 634 2HB PRO 82 2HB PRO 82 -2.177 -7.140 3.092 635 1HG PRO 82 1HG PRO 82 0.373 -6.348 1.710 636 2HG PRO 82 2HG PRO 82 0.109 -7.707 2.828 637 1HD PRO 82 1HD PRO 82 0.114 -7.931 0.050 638 2HD PRO 82 2HD PRO 82 -0.765 -9.053 1.132 639 H VAL 83 H VAL 83 -4.065 -5.242 -0.396 640 HA VAL 83 HA VAL 83 -2.404 -3.015 -1.322 641 HB VAL 83 HB VAL 83 -4.771 -2.276 -2.184 642 1HG1 VAL 83 1HG1 VAL 83 -3.182 -4.628 -3.252 643 2HG1 VAL 83 2HG1 VAL 83 -4.438 -3.764 -4.169 644 3HG1 VAL 83 3HG1 VAL 83 -2.985 -2.903 -3.644 645 1HG2 VAL 83 1HG2 VAL 83 -6.163 -3.947 -0.992 646 2HG2 VAL 83 2HG2 VAL 83 -6.234 -4.158 -2.752 647 3HG2 VAL 83 3HG2 VAL 83 -5.289 -5.277 -1.795 648 H LEU 84 H LEU 84 -1.897 -1.542 0.161 649 HA LEU 84 HA LEU 84 -3.849 -0.883 2.306 650 1HB LEU 84 1HB LEU 84 -1.651 -1.858 2.984 651 2HB LEU 84 2HB LEU 84 -0.844 -0.494 2.204 652 HG LEU 84 HG LEU 84 -1.702 1.066 3.808 653 1HD1 LEU 84 1HD1 LEU 84 -3.953 0.394 4.148 654 2HD1 LEU 84 2HD1 LEU 84 -3.465 -1.182 4.832 655 3HD1 LEU 84 3HD1 LEU 84 -3.171 0.339 5.713 656 1HD2 LEU 84 1HD2 LEU 84 0.235 -0.307 4.533 657 2HD2 LEU 84 2HD2 LEU 84 -0.755 0.208 5.898 658 3HD2 LEU 84 3HD2 LEU 84 -0.877 -1.462 5.295 659 H MET 85 H MET 85 -4.888 0.992 2.047 660 HA MET 85 HA MET 85 -3.917 2.859 -0.030 661 1HB MET 85 1HB MET 85 -6.514 3.042 1.533 662 2HB MET 85 2HB MET 85 -6.090 3.779 -0.020 663 1HG MET 85 1HG MET 85 -5.778 1.244 -0.785 664 2HG MET 85 2HG MET 85 -6.759 0.905 0.638 665 1HE MET 85 1HE MET 85 -8.072 2.814 -3.334 666 2HE MET 85 2HE MET 85 -6.696 3.454 -2.410 667 3HE MET 85 3HE MET 85 -6.637 1.802 -3.059 668 H VAL 86 H VAL 86 -2.674 4.576 0.597 669 HA VAL 86 HA VAL 86 -2.731 5.517 3.413 670 HB VAL 86 HB VAL 86 -0.316 4.931 1.635 671 1HG1 VAL 86 1HG1 VAL 86 -0.490 6.051 4.470 672 2HG1 VAL 86 2HG1 VAL 86 1.010 5.550 3.629 673 3HG1 VAL 86 3HG1 VAL 86 0.083 6.902 3.016 674 1HG2 VAL 86 1HG2 VAL 86 -1.291 3.554 4.180 675 2HG2 VAL 86 2HG2 VAL 86 -1.199 2.866 2.549 676 3HG2 VAL 86 3HG2 VAL 86 0.287 3.280 3.404 677 H THR 87 H THR 87 -3.592 7.570 3.241 678 HA THR 87 HA THR 87 -2.641 9.279 1.056 679 HB THR 87 HB THR 87 -4.433 7.895 0.090 680 HG1 THR 87 1HG THR 87 -4.148 9.904 -0.646 681 1HG2 THR 87 1HG2 THR 87 -5.835 7.361 1.984 682 2HG2 THR 87 2HG2 THR 87 -6.186 9.074 2.268 683 3HG2 THR 87 3HG2 THR 87 -6.801 8.272 0.812 684 H ALA 88 H ALA 88 -3.931 11.429 1.185 685 HA ALA 88 HA ALA 88 -3.786 12.343 4.018 686 1HB ALA 88 1HB ALA 88 -3.572 14.579 3.063 687 2HB ALA 88 2HB ALA 88 -2.412 13.502 2.263 688 3HB ALA 88 3HB ALA 88 -3.914 13.959 1.432 689 H GLU 89 H GLU 89 -6.143 11.578 1.534 690 HA GLU 89 HA GLU 89 -8.140 13.413 2.676 691 1HB GLU 89 1HB GLU 89 -8.269 11.453 0.340 692 2HB GLU 89 2HB GLU 89 -9.571 12.544 0.882 693 1HG GLU 89 1HG GLU 89 -7.952 14.472 0.574 694 2HG GLU 89 2HG GLU 89 -6.823 13.346 -0.177 695 H ALA 90 H ALA 90 -9.896 12.738 3.825 696 HA ALA 90 HA ALA 90 -10.010 9.911 4.747 697 1HB ALA 90 1HB ALA 90 -10.413 11.596 6.473 698 2HB ALA 90 2HB ALA 90 -11.749 12.286 5.520 699 3HB ALA 90 3HB ALA 90 -11.857 10.628 6.170 700 H LYS 91 H LYS 91 -12.226 12.321 3.230 701 HA LYS 91 HA LYS 91 -13.882 12.077 1.678 702 1HB LYS 91 1HB LYS 91 -11.813 12.166 0.397 703 2HB LYS 91 2HB LYS 91 -11.678 10.413 0.451 704 1HG LYS 91 1HG LYS 91 -12.443 11.102 -1.669 705 2HG LYS 91 2HG LYS 91 -13.769 10.225 -0.890 706 1HD LYS 91 1HD LYS 91 -15.066 12.187 -0.685 707 2HD LYS 91 2HD LYS 91 -13.643 13.249 -0.873 708 1HE LYS 91 1HE LYS 91 -13.318 12.457 -3.180 709 2HE LYS 91 2HE LYS 91 -14.714 11.383 -3.054 710 1HZ LYS 91 1HZ LYS 91 -16.148 13.229 -3.014 711 2HZ LYS 91 2HZ LYS 91 -14.915 14.312 -2.713 712 3HZ LYS 91 3HZ LYS 91 -15.033 13.577 -4.166 713 H LYS 92 H LYS 92 -15.329 10.991 3.151 714 HA LYS 92 HA LYS 92 -15.085 8.323 3.801 715 1HB LYS 92 1HB LYS 92 -17.570 10.069 3.768 716 2HB LYS 92 2HB LYS 92 -17.614 8.376 4.292 717 1HG LYS 92 1HG LYS 92 -15.722 8.862 5.881 718 2HG LYS 92 2HG LYS 92 -15.889 10.578 5.508 719 1HD LYS 92 1HD LYS 92 -18.129 8.810 6.592 720 2HD LYS 92 2HD LYS 92 -17.051 9.742 7.609 721 1HE LYS 92 1HE LYS 92 -18.767 11.018 5.444 722 2HE LYS 92 2HE LYS 92 -19.337 10.766 7.095 723 1HZ LYS 92 1HZ LYS 92 -17.581 12.111 7.921 724 2HZ LYS 92 2HZ LYS 92 -16.911 12.341 6.433 725 3HZ LYS 92 3HZ LYS 92 -18.382 12.975 6.766 726 H GLU 93 H GLU 93 -16.766 9.493 0.818 727 HA GLU 93 HA GLU 93 -17.725 6.843 0.122 728 1HB GLU 93 1HB GLU 93 -17.197 9.352 -1.498 729 2HB GLU 93 2HB GLU 93 -17.711 7.819 -2.213 730 1HG GLU 93 1HG GLU 93 -19.547 7.981 -0.192 731 2HG GLU 93 2HG GLU 93 -19.277 9.695 -0.478 732 H ASN 94 H ASN 94 -14.511 8.300 -0.231 733 HA ASN 94 HA ASN 94 -13.486 6.153 -1.911 734 1HB ASN 94 1HB ASN 94 -11.999 7.981 0.037 735 2HB ASN 94 2HB ASN 94 -11.284 6.748 -0.972 736 1HD2 ASN 94 1HD2 ASN 94 -10.063 8.941 -1.394 737 2HD2 ASN 94 2HD2 ASN 94 -10.592 9.773 -2.828 738 H ILE 95 H ILE 95 -13.769 6.820 1.620 739 HA ILE 95 HA ILE 95 -12.389 4.425 2.413 740 HB ILE 95 HB ILE 95 -14.281 6.286 3.844 741 1HG1 ILE 95 1HG1 ILE 95 -11.434 5.446 4.540 742 2HG1 ILE 95 2HG1 ILE 95 -11.752 6.671 3.312 743 1HG2 ILE 95 1HG2 ILE 95 -13.920 5.027 5.954 744 2HG2 ILE 95 2HG2 ILE 95 -14.858 4.102 4.805 745 3HG2 ILE 95 3HG2 ILE 95 -13.145 3.711 5.016 746 1HD1 ILE 95 1HD1 ILE 95 -12.581 6.869 6.228 747 2HD1 ILE 95 2HD1 ILE 95 -11.293 7.767 5.398 748 3HD1 ILE 95 3HD1 ILE 95 -12.983 8.044 4.952 749 H ILE 96 H ILE 96 -16.052 4.982 2.122 750 HA ILE 96 HA ILE 96 -16.591 2.255 2.415 751 HB ILE 96 HB ILE 96 -18.123 4.188 0.773 752 1HG1 ILE 96 1HG1 ILE 96 -19.098 3.790 3.516 753 2HG1 ILE 96 2HG1 ILE 96 -17.571 4.633 3.478 754 1HG2 ILE 96 1HG2 ILE 96 -18.920 2.010 0.351 755 2HG2 ILE 96 2HG2 ILE 96 -19.032 1.639 2.089 756 3HG2 ILE 96 3HG2 ILE 96 -20.098 2.864 1.345 757 1HD1 ILE 96 1HD1 ILE 96 -18.497 6.225 1.847 758 2HD1 ILE 96 2HD1 ILE 96 -20.047 5.391 1.928 759 3HD1 ILE 96 3HD1 ILE 96 -19.351 6.211 3.374 760 H ALA 97 H ALA 97 -15.746 4.013 -0.644 761 HA ALA 97 HA ALA 97 -16.198 1.787 -2.311 762 1HB ALA 97 1HB ALA 97 -15.828 3.978 -3.256 763 2HB ALA 97 2HB ALA 97 -14.218 4.075 -2.546 764 3HB ALA 97 3HB ALA 97 -14.552 2.900 -3.842 765 H ALA 98 H ALA 98 -13.267 2.668 -0.440 766 HA ALA 98 HA ALA 98 -11.681 0.484 -1.310 767 1HB ALA 98 1HB ALA 98 -10.789 2.441 -0.088 768 2HB ALA 98 2HB ALA 98 -11.667 1.984 1.368 769 3HB ALA 98 3HB ALA 98 -10.361 0.954 0.760 770 H ALA 99 H ALA 99 -13.869 0.822 1.559 771 HA ALA 99 HA ALA 99 -13.297 -1.828 2.535 772 1HB ALA 99 1HB ALA 99 -15.654 0.037 3.105 773 2HB ALA 99 2HB ALA 99 -15.183 -1.374 4.081 774 3HB ALA 99 3HB ALA 99 -14.106 0.032 3.976 775 H GLN 100 H GLN 100 -15.547 -0.629 0.149 776 HA GLN 100 HA GLN 100 -17.158 -3.045 -0.084 777 1HB GLN 100 1HB GLN 100 -16.802 -0.449 -1.639 778 2HB GLN 100 2HB GLN 100 -17.700 -1.768 -2.336 779 1HG GLN 100 1HG GLN 100 -18.353 -0.481 0.343 780 2HG GLN 100 2HG GLN 100 -19.128 -0.083 -1.194 781 1HE2 GLN 100 1HE2 GLN 100 -20.627 -1.008 1.090 782 2HE2 GLN 100 2HE2 GLN 100 -21.187 -2.634 0.741 783 H ALA 101 H ALA 101 -14.527 -1.488 -2.075 784 HA ALA 101 HA ALA 101 -14.135 -3.591 -3.865 785 1HB ALA 101 1HB ALA 101 -12.207 -1.512 -2.738 786 2HB ALA 101 2HB ALA 101 -11.917 -2.499 -4.181 787 3HB ALA 101 3HB ALA 101 -13.231 -1.306 -4.158 788 H GLY 102 H GLY 102 -12.995 -3.225 -0.555 789 1HA GLY 102 1HA GLY 102 -12.570 -5.123 0.787 790 2HA GLY 102 2HA GLY 102 -12.033 -6.032 -0.632 791 H ALA 103 H ALA 103 -10.948 -2.731 0.295 792 HA ALA 103 HA ALA 103 -8.216 -3.371 -0.159 793 1HB ALA 103 1HB ALA 103 -7.757 -1.176 0.338 794 2HB ALA 103 2HB ALA 103 -9.488 -1.026 0.022 795 3HB ALA 103 3HB ALA 103 -8.927 -1.097 1.685 796 H SER 104 H SER 104 -6.415 -3.506 1.363 797 HA SER 104 HA SER 104 -7.124 -5.226 3.606 798 1HB SER 104 1HB SER 104 -4.842 -5.715 3.747 799 2HB SER 104 2HB SER 104 -5.219 -5.626 2.044 800 HG SER 104 HG SER 104 -4.358 -3.461 2.067 801 H GLY 105 H GLY 105 -6.648 -1.803 3.228 802 1HA GLY 105 1HA GLY 105 -7.617 -1.208 5.722 803 2HA GLY 105 2HA GLY 105 -5.845 -1.165 5.893 804 H TYR 106 H TYR 106 -7.099 1.102 6.341 805 HA TYR 106 HA TYR 106 -6.500 2.826 4.018 806 1HB TYR 106 1HB TYR 106 -9.076 2.300 4.676 807 2HB TYR 106 2HB TYR 106 -8.771 3.562 5.851 808 HD1 TYR 106 1HD TYR 106 -9.179 2.697 2.315 809 HD2 TYR 106 2HD TYR 106 -8.266 5.921 5.040 810 HE1 TYR 106 1HE TYR 106 -9.613 4.340 0.530 811 HE2 TYR 106 2HE TYR 106 -8.698 7.571 3.223 812 HH TYR 106 HH TYR 106 -9.435 6.532 -0.124 813 H VAL 107 H VAL 107 -5.035 4.336 4.656 814 HA VAL 107 HA VAL 107 -4.813 5.123 7.522 815 HB VAL 107 HB VAL 107 -2.578 4.773 5.493 816 1HG1 VAL 107 1HG1 VAL 107 -2.197 6.687 6.975 817 2HG1 VAL 107 2HG1 VAL 107 -2.550 5.690 8.403 818 3HG1 VAL 107 3HG1 VAL 107 -1.112 5.363 7.405 819 1HG2 VAL 107 1HG2 VAL 107 -3.098 3.288 8.089 820 2HG2 VAL 107 2HG2 VAL 107 -3.290 2.612 6.439 821 3HG2 VAL 107 3HG2 VAL 107 -1.689 3.091 7.026 822 H VAL 108 H VAL 108 -6.126 6.951 7.306 823 HA VAL 108 HA VAL 108 -5.391 8.954 5.286 824 HB VAL 108 HB VAL 108 -7.014 9.507 7.807 825 1HG1 VAL 108 1HG1 VAL 108 -7.967 11.254 6.259 826 2HG1 VAL 108 2HG1 VAL 108 -6.250 11.477 6.598 827 3HG1 VAL 108 3HG1 VAL 108 -6.756 10.781 5.054 828 1HG2 VAL 108 1HG2 VAL 108 -8.089 8.531 5.147 829 2HG2 VAL 108 2HG2 VAL 108 -8.157 7.638 6.686 830 3HG2 VAL 108 3HG2 VAL 108 -9.043 9.144 6.519 831 H LYS 109 H LYS 109 -3.998 10.668 5.791 832 HA LYS 109 HA LYS 109 -2.126 10.602 7.951 833 1HB LYS 109 1HB LYS 109 -3.248 12.887 6.257 834 2HB LYS 109 2HB LYS 109 -2.069 13.164 7.521 835 1HG LYS 109 1HG LYS 109 -0.617 11.341 6.346 836 2HG LYS 109 2HG LYS 109 -1.707 11.560 4.971 837 1HD LYS 109 1HD LYS 109 0.182 12.954 4.597 838 2HD LYS 109 2HD LYS 109 -1.129 14.054 5.067 839 1HE LYS 109 1HE LYS 109 -0.254 14.186 7.359 840 2HE LYS 109 2HE LYS 109 0.943 12.923 7.012 841 1HZ LYS 109 1HZ LYS 109 2.010 14.453 5.474 842 2HZ LYS 109 2HZ LYS 109 0.918 15.630 5.836 843 3HZ LYS 109 3HZ LYS 109 1.925 15.069 6.992 844 HA PRO 110 HA PRO 110 -1.058 12.300 9.276 845 1HB PRO 110 1HB PRO 110 -0.552 12.749 11.903 846 2HB PRO 110 2HB PRO 110 -1.203 14.022 10.835 847 1HG PRO 110 1HG PRO 110 -2.694 12.273 12.803 848 2HG PRO 110 2HG PRO 110 -2.857 14.034 12.524 849 1HD PRO 110 1HD PRO 110 -4.516 12.107 11.419 850 2HD PRO 110 2HD PRO 110 -4.220 13.706 10.675 851 H PHE 111 H PHE 111 0.408 10.530 9.517 852 HA PHE 111 HA PHE 111 -0.501 8.242 11.138 853 1HB PHE 111 1HB PHE 111 -0.174 6.693 9.335 854 2HB PHE 111 2HB PHE 111 -1.407 7.857 8.925 855 HD1 PHE 111 1HD PHE 111 -1.276 8.956 6.793 856 HD2 PHE 111 2HD PHE 111 2.161 6.880 8.368 857 HE1 PHE 111 1HE PHE 111 -0.158 9.145 4.604 858 HE2 PHE 111 2HE PHE 111 3.255 7.048 6.157 859 HZ PHE 111 HZ PHE 111 2.106 8.172 4.275 860 H THR 112 H THR 112 1.189 6.718 11.598 861 HA THR 112 HA THR 112 3.976 7.519 11.195 862 HB THR 112 HB THR 112 4.286 7.212 13.725 863 HG1 THR 112 1HG THR 112 1.485 7.726 13.680 864 1HG2 THR 112 1HG2 THR 112 3.945 9.492 14.269 865 2HG2 THR 112 2HG2 THR 112 4.454 9.396 12.580 866 3HG2 THR 112 3HG2 THR 112 2.750 9.692 12.965 867 H ALA 113 H ALA 113 5.327 5.725 12.583 868 HA ALA 113 HA ALA 113 4.725 3.248 11.303 869 1HB ALA 113 1HB ALA 113 6.658 3.812 13.585 870 2HB ALA 113 2HB ALA 113 6.578 2.347 12.618 871 3HB ALA 113 3HB ALA 113 7.043 3.870 11.853 872 H ALA 114 H ALA 114 3.963 4.613 14.494 873 HA ALA 114 HA ALA 114 3.003 2.349 15.789 874 1HB ALA 114 1HB ALA 114 1.667 3.899 17.125 875 2HB ALA 114 2HB ALA 114 3.261 4.597 16.794 876 3HB ALA 114 3HB ALA 114 1.833 5.165 15.891 877 H THR 115 H THR 115 1.236 4.329 13.329 878 HA THR 115 HA THR 115 -1.090 2.543 13.629 879 HB THR 115 HB THR 115 -1.197 5.091 13.213 880 HG1 THR 115 1HG THR 115 -3.142 4.605 13.033 881 1HG2 THR 115 1HG2 THR 115 -1.172 4.170 10.317 882 2HG2 THR 115 2HG2 THR 115 -1.582 5.778 10.937 883 3HG2 THR 115 3HG2 THR 115 0.078 5.168 11.083 884 H LEU 116 H LEU 116 1.708 3.003 11.485 885 HA LEU 116 HA LEU 116 0.933 1.346 9.335 886 1HB LEU 116 1HB LEU 116 3.057 2.802 9.655 887 2HB LEU 116 2HB LEU 116 3.721 1.427 10.525 888 HG LEU 116 HG LEU 116 4.639 1.367 8.402 889 1HD1 LEU 116 1HD1 LEU 116 2.399 -0.661 8.208 890 2HD1 LEU 116 2HD1 LEU 116 4.001 -0.742 7.485 891 3HD1 LEU 116 3HD1 LEU 116 3.845 -0.833 9.243 892 1HD2 LEU 116 1HD2 LEU 116 3.428 1.371 6.283 893 2HD2 LEU 116 2HD2 LEU 116 1.883 1.573 7.134 894 3HD2 LEU 116 3HD2 LEU 116 3.116 2.850 7.194 895 H GLU 117 H GLU 117 2.692 0.434 12.385 896 HA GLU 117 HA GLU 117 2.588 -2.343 11.860 897 1HB GLU 117 1HB GLU 117 3.344 -2.687 14.083 898 2HB GLU 117 2HB GLU 117 4.199 -1.318 13.403 899 1HG GLU 117 1HG GLU 117 2.870 0.246 14.709 900 2HG GLU 117 2HG GLU 117 1.825 -1.048 15.287 901 H GLU 118 H GLU 118 0.171 -0.208 13.255 902 HA GLU 118 HA GLU 118 -1.488 -2.317 14.326 903 1HB GLU 118 1HB GLU 118 -1.779 -0.088 15.121 904 2HB GLU 118 2HB GLU 118 -2.067 0.552 13.502 905 1HG GLU 118 1HG GLU 118 -4.166 -0.542 13.291 906 2HG GLU 118 2HG GLU 118 -3.876 -1.531 14.731 907 H LYS 119 H LYS 119 -1.273 -0.726 11.087 908 HA LYS 119 HA LYS 119 -3.435 -2.373 10.021 909 1HB LYS 119 1HB LYS 119 -1.202 -1.330 8.348 910 2HB LYS 119 2HB LYS 119 -2.854 -1.766 7.884 911 1HG LYS 119 1HG LYS 119 -2.105 0.713 9.487 912 2HG LYS 119 2HG LYS 119 -2.268 0.635 7.761 913 1HD LYS 119 1HD LYS 119 -4.343 1.381 8.211 914 2HD LYS 119 2HD LYS 119 -4.689 -0.341 8.309 915 1HE LYS 119 1HE LYS 119 -4.713 -0.290 10.698 916 2HE LYS 119 2HE LYS 119 -3.845 1.257 10.761 917 1HZ LYS 119 1HZ LYS 119 -5.693 2.407 10.044 918 2HZ LYS 119 2HZ LYS 119 -6.526 1.034 9.569 919 3HZ LYS 119 3HZ LYS 119 -6.291 1.370 11.168 920 H LEU 120 H LEU 120 0.127 -2.759 10.331 921 HA LEU 120 HA LEU 120 0.345 -5.118 8.734 922 1HB LEU 120 1HB LEU 120 1.967 -4.414 11.210 923 2HB LEU 120 2HB LEU 120 2.315 -5.730 10.110 924 HG LEU 120 HG LEU 120 2.378 -2.790 9.363 925 1HD1 LEU 120 1HD1 LEU 120 4.196 -3.489 10.899 926 2HD1 LEU 120 2HD1 LEU 120 4.576 -4.829 9.824 927 3HD1 LEU 120 3HD1 LEU 120 4.829 -3.157 9.273 928 1HD2 LEU 120 1HD2 LEU 120 3.492 -3.599 7.281 929 2HD2 LEU 120 2HD2 LEU 120 3.120 -5.269 7.754 930 3HD2 LEU 120 3HD2 LEU 120 1.810 -4.114 7.400 931 H ASN 121 H ASN 121 -0.106 -4.816 12.305 932 HA ASN 121 HA ASN 121 -0.465 -7.574 12.758 933 1HB ASN 121 1HB ASN 121 -0.090 -5.846 14.515 934 2HB ASN 121 2HB ASN 121 -1.746 -5.274 14.273 935 1HD2 ASN 121 1HD2 ASN 121 -3.093 -6.111 15.900 936 2HD2 ASN 121 2HD2 ASN 121 -2.914 -7.723 16.594 937 H LYS 122 H LYS 122 -2.812 -5.102 11.755 938 HA LYS 122 HA LYS 122 -5.196 -6.593 11.697 939 1HB LYS 122 1HB LYS 122 -4.350 -4.135 10.638 940 2HB LYS 122 2HB LYS 122 -4.782 -5.037 9.209 941 1HG LYS 122 1HG LYS 122 -6.751 -3.967 9.762 942 2HG LYS 122 2HG LYS 122 -6.990 -5.598 10.405 943 1HD LYS 122 1HD LYS 122 -7.715 -4.040 12.056 944 2HD LYS 122 2HD LYS 122 -6.206 -4.725 12.654 945 1HE LYS 122 1HE LYS 122 -4.972 -2.686 12.001 946 2HE LYS 122 2HE LYS 122 -6.377 -2.066 11.157 947 1HZ LYS 122 1HZ LYS 122 -6.643 -1.026 13.195 948 2HZ LYS 122 2HZ LYS 122 -7.462 -2.416 13.544 949 3HZ LYS 122 3HZ LYS 122 -5.962 -2.252 14.077 950 H ILE 123 H ILE 123 -2.962 -6.290 8.875 951 HA ILE 123 HA ILE 123 -4.428 -8.377 7.557 952 HB ILE 123 HB ILE 123 -2.781 -8.038 5.727 953 1HG1 ILE 123 1HG1 ILE 123 -1.380 -6.330 7.800 954 2HG1 ILE 123 2HG1 ILE 123 -0.725 -7.659 6.857 955 1HG2 ILE 123 1HG2 ILE 123 -4.817 -6.634 6.021 956 2HG2 ILE 123 2HG2 ILE 123 -3.854 -5.452 6.943 957 3HG2 ILE 123 3HG2 ILE 123 -3.487 -5.767 5.248 958 1HD1 ILE 123 1HD1 ILE 123 0.065 -5.457 6.218 959 2HD1 ILE 123 2HD1 ILE 123 -0.756 -6.272 4.869 960 3HD1 ILE 123 3HD1 ILE 123 -1.541 -4.931 5.755 961 H PHE 124 H PHE 124 -1.485 -8.425 9.486 962 HA PHE 124 HA PHE 124 -0.513 -11.008 8.748 963 1HB PHE 124 1HB PHE 124 -0.438 -9.353 11.266 964 2HB PHE 124 2HB PHE 124 0.154 -10.990 11.249 965 HD1 PHE 124 1HD PHE 124 0.721 -8.735 8.291 966 HD2 PHE 124 2HD PHE 124 2.394 -10.402 11.911 967 HE1 PHE 124 1HE PHE 124 2.959 -7.981 7.606 968 HE2 PHE 124 2HE PHE 124 4.627 -9.585 11.229 969 HZ PHE 124 HZ PHE 124 4.914 -8.385 9.070 970 H GLU 125 H GLU 125 -2.821 -10.018 11.436 971 HA GLU 125 HA GLU 125 -3.340 -12.872 11.783 972 1HB GLU 125 1HB GLU 125 -4.608 -10.480 13.164 973 2HB GLU 125 2HB GLU 125 -4.787 -12.188 13.607 974 1HG GLU 125 1HG GLU 125 -2.087 -12.102 13.557 975 2HG GLU 125 2HG GLU 125 -2.375 -10.393 13.886 976 H LYS 126 H LYS 126 -5.118 -10.167 10.322 977 HA LYS 126 HA LYS 126 -7.575 -11.618 9.923 978 1HB LYS 126 1HB LYS 126 -7.485 -9.127 9.912 979 2HB LYS 126 2HB LYS 126 -6.549 -9.180 8.409 980 1HG LYS 126 1HG LYS 126 -8.508 -10.514 7.415 981 2HG LYS 126 2HG LYS 126 -9.427 -10.045 8.849 982 1HD LYS 126 1HD LYS 126 -9.325 -7.709 8.220 983 2HD LYS 126 2HD LYS 126 -8.057 -8.023 7.031 984 1HE LYS 126 1HE LYS 126 -10.095 -7.694 5.818 985 2HE LYS 126 2HE LYS 126 -9.629 -9.398 5.675 986 1HZ LYS 126 1HZ LYS 126 -11.667 -8.316 7.517 987 2HZ LYS 126 2HZ LYS 126 -12.003 -9.075 6.118 988 3HZ LYS 126 3HZ LYS 126 -11.296 -9.929 7.338 989 H LEU 127 H LEU 127 -5.313 -10.491 7.300 990 HA LEU 127 HA LEU 127 -6.398 -12.363 5.459 991 1HB LEU 127 1HB LEU 127 -3.625 -11.162 5.187 992 2HB LEU 127 2HB LEU 127 -4.711 -11.715 3.936 993 HG LEU 127 HG LEU 127 -4.890 -9.170 5.570 994 1HD1 LEU 127 1HD1 LEU 127 -4.778 -9.679 2.572 995 2HD1 LEU 127 2HD1 LEU 127 -4.778 -8.095 3.372 996 3HD1 LEU 127 3HD1 LEU 127 -3.406 -9.201 3.584 997 1HD2 LEU 127 1HD2 LEU 127 -6.982 -8.639 4.339 998 2HD2 LEU 127 2HD2 LEU 127 -7.033 -10.334 3.779 999 3HD2 LEU 127 3HD2 LEU 127 -7.170 -9.957 5.497 1000 H GLY 128 H GLY 128 -3.667 -12.532 7.733 1001 1HA GLY 128 1HA GLY 128 -2.516 -14.520 8.364 1002 2HA GLY 128 2HA GLY 128 -3.124 -15.338 6.928 1003 H MET 129 H MET 129 -1.685 -12.028 7.138 1004 HA MET 129 HA MET 129 0.449 -12.776 5.219 1005 1HB MET 129 2HB MET 129 -0.322 -10.202 6.639 1006 2HB MET 129 3HB MET 129 1.235 -10.381 5.856 1007 1HG MET 129 2HG MET 129 -1.469 -10.687 4.511 1008 2HG MET 129 3HG MET 129 -0.417 -9.284 4.409 1009 1HE MET 129 1HE MET 129 2.541 -10.881 4.054 1010 2HE MET 129 2HE MET 129 2.632 -10.722 2.291 1011 3HE MET 129 3HE MET 129 2.046 -9.360 3.266 Start of MODEL 24 1 1H MET 1 H MET 1 19.342 -18.422 -1.609 2 2H MET 1 2HN MET 1 20.836 -17.907 -2.041 3 3H MET 1 3HN MET 1 20.585 -19.484 -1.615 4 HA MET 1 HA MET 1 19.952 -18.766 0.618 5 1HB MET 1 2HB MET 1 22.736 -17.982 -0.315 6 2HB MET 1 3HB MET 1 22.231 -18.007 1.382 7 1HG MET 1 2HG MET 1 21.641 -20.382 1.218 8 2HG MET 1 3HG MET 1 22.104 -20.400 -0.484 9 1HE MET 1 1HE MET 1 24.846 -22.658 0.950 10 2HE MET 1 2HE MET 1 23.131 -22.592 1.421 11 3HE MET 1 3HE MET 1 23.604 -22.428 -0.285 12 H ALA 2 H ALA 2 18.222 -17.243 0.143 13 HA ALA 2 HA ALA 2 19.012 -14.476 0.769 14 1HB ALA 2 1HB ALA 2 18.636 -14.629 -1.693 15 2HB ALA 2 2HB ALA 2 17.036 -15.342 -1.390 16 3HB ALA 2 3HB ALA 2 17.371 -13.672 -0.890 17 H ASP 3 H ASP 3 17.045 -13.318 1.460 18 HA ASP 3 HA ASP 3 15.328 -14.736 3.334 19 1HB ASP 3 1HB ASP 3 15.294 -11.912 2.160 20 2HB ASP 3 2HB ASP 3 14.176 -12.481 3.395 21 H LYS 4 H LYS 4 12.834 -14.354 3.037 22 HA LYS 4 HA LYS 4 11.740 -15.294 0.624 23 1HB LYS 4 1HB LYS 4 10.713 -14.575 3.093 24 2HB LYS 4 2HB LYS 4 10.166 -13.222 2.117 25 1HG LYS 4 1HG LYS 4 8.397 -14.705 1.942 26 2HG LYS 4 2HG LYS 4 9.281 -15.064 0.453 27 1HD LYS 4 1HD LYS 4 10.413 -16.979 1.636 28 2HD LYS 4 2HD LYS 4 9.489 -16.613 3.090 29 1HE LYS 4 1HE LYS 4 8.408 -17.607 0.422 30 2HE LYS 4 2HE LYS 4 8.494 -18.483 1.954 31 1HZ LYS 4 1HZ LYS 4 6.651 -16.398 1.132 32 2HZ LYS 4 2HZ LYS 4 6.368 -17.809 1.957 33 3HZ LYS 4 3HZ LYS 4 7.010 -16.542 2.756 34 H GLU 5 H GLU 5 13.050 -12.144 1.319 35 HA GLU 5 HA GLU 5 13.107 -10.157 0.286 36 1HB GLU 5 1HB GLU 5 13.160 -11.920 -2.186 37 2HB GLU 5 2HB GLU 5 13.474 -10.182 -2.166 38 1HG GLU 5 1HG GLU 5 15.274 -10.657 -0.387 39 2HG GLU 5 2HG GLU 5 15.130 -12.353 -0.856 40 H LEU 6 H LEU 6 10.493 -11.061 1.072 41 HA LEU 6 HA LEU 6 8.485 -10.423 -0.806 42 1HB LEU 6 1HB LEU 6 7.949 -11.430 1.351 43 2HB LEU 6 2HB LEU 6 8.472 -9.971 2.215 44 HG LEU 6 HG LEU 6 6.468 -9.586 0.015 45 1HD1 LEU 6 1HD1 LEU 6 5.735 -10.924 2.627 46 2HD1 LEU 6 2HD1 LEU 6 4.563 -10.194 1.517 47 3HD1 LEU 6 3HD1 LEU 6 5.545 -11.564 0.975 48 1HD2 LEU 6 1HD2 LEU 6 7.176 -7.635 1.440 49 2HD2 LEU 6 2HD2 LEU 6 5.461 -7.956 1.497 50 3HD2 LEU 6 3HD2 LEU 6 6.507 -8.460 2.840 51 H LYS 7 H LYS 7 8.131 -8.614 -1.827 52 HA LYS 7 HA LYS 7 9.771 -6.302 -1.034 53 1HB LYS 7 1HB LYS 7 9.331 -7.313 -3.514 54 2HB LYS 7 2HB LYS 7 8.033 -6.130 -3.439 55 1HG LYS 7 1HG LYS 7 9.768 -4.893 -4.339 56 2HG LYS 7 2HG LYS 7 9.784 -4.427 -2.643 57 1HD LYS 7 1HD LYS 7 12.036 -4.717 -3.488 58 2HD LYS 7 2HD LYS 7 11.734 -5.967 -2.282 59 1HE LYS 7 1HE LYS 7 11.024 -6.704 -5.097 60 2HE LYS 7 2HE LYS 7 12.733 -6.349 -4.841 61 1HZ LYS 7 1HZ LYS 7 11.301 -8.336 -3.151 62 2HZ LYS 7 2HZ LYS 7 12.189 -8.700 -4.488 63 3HZ LYS 7 3HZ LYS 7 12.904 -7.991 -3.223 64 H PHE 8 H PHE 8 8.986 -4.373 -0.231 65 HA PHE 8 HA PHE 8 6.050 -4.168 0.267 66 1HB PHE 8 1HB PHE 8 8.548 -3.143 1.614 67 2HB PHE 8 2HB PHE 8 7.141 -2.089 1.580 68 HD1 PHE 8 1HD PHE 8 5.195 -2.499 2.808 69 HD2 PHE 8 2HD PHE 8 8.334 -5.439 2.770 70 HE1 PHE 8 1HE PHE 8 4.102 -3.659 4.688 71 HE2 PHE 8 2HE PHE 8 7.244 -6.606 4.664 72 HZ PHE 8 HZ PHE 8 5.145 -5.723 5.651 73 H LEU 9 H LEU 9 5.207 -3.368 -1.678 74 HA LEU 9 HA LEU 9 6.722 -1.333 -3.141 75 1HB LEU 9 1HB LEU 9 5.178 -3.095 -4.226 76 2HB LEU 9 2HB LEU 9 3.833 -2.222 -3.513 77 HG LEU 9 HG LEU 9 4.509 -0.169 -4.757 78 1HD1 LEU 9 1HD1 LEU 9 6.664 -1.997 -5.886 79 2HD1 LEU 9 2HD1 LEU 9 6.162 -0.490 -6.670 80 3HD1 LEU 9 3HD1 LEU 9 6.885 -0.429 -5.077 81 1HD2 LEU 9 1HD2 LEU 9 3.837 -0.974 -6.944 82 2HD2 LEU 9 2HD2 LEU 9 4.158 -2.658 -6.469 83 3HD2 LEU 9 3HD2 LEU 9 2.863 -1.726 -5.679 84 H VAL 10 H VAL 10 6.360 0.801 -2.977 85 HA VAL 10 HA VAL 10 4.092 1.817 -1.301 86 HB VAL 10 HB VAL 10 6.962 2.845 -1.268 87 1HG1 VAL 10 1HG1 VAL 10 4.551 3.362 0.528 88 2HG1 VAL 10 2HG1 VAL 10 6.195 4.022 0.763 89 3HG1 VAL 10 3HG1 VAL 10 5.236 4.489 -0.636 90 1HG2 VAL 10 1HG2 VAL 10 5.577 0.987 0.719 91 2HG2 VAL 10 2HG2 VAL 10 7.039 0.641 -0.235 92 3HG2 VAL 10 3HG2 VAL 10 7.096 1.859 1.033 93 H VAL 11 H VAL 11 2.777 3.057 -2.640 94 HA VAL 11 HA VAL 11 4.085 4.777 -4.713 95 HB VAL 11 HB VAL 11 1.471 3.366 -5.312 96 1HG1 VAL 11 1HG1 VAL 11 3.685 4.481 -7.076 97 2HG1 VAL 11 2HG1 VAL 11 2.205 3.679 -7.632 98 3HG1 VAL 11 3HG1 VAL 11 2.103 5.223 -6.781 99 1HG2 VAL 11 1HG2 VAL 11 2.769 1.653 -6.553 100 2HG2 VAL 11 2HG2 VAL 11 4.247 2.216 -5.757 101 3HG2 VAL 11 3HG2 VAL 11 2.907 1.503 -4.815 102 H ASP 12 H ASP 12 3.592 6.003 -2.332 103 HA ASP 12 HA ASP 12 1.088 7.325 -2.171 104 1HB ASP 12 1HB ASP 12 3.800 8.400 -1.421 105 2HB ASP 12 2HB ASP 12 2.249 9.065 -0.939 106 H ASP 13 H ASP 13 0.539 9.521 -2.957 107 HA ASP 13 HA ASP 13 1.368 9.974 -5.688 108 1HB ASP 13 1HB ASP 13 -0.942 10.354 -4.827 109 2HB ASP 13 2HB ASP 13 -0.363 11.672 -3.828 110 H PHE 14 H PHE 14 1.686 11.723 -2.656 111 HA PHE 14 HA PHE 14 3.390 13.868 -3.724 112 1HB PHE 14 1HB PHE 14 1.771 14.350 -1.950 113 2HB PHE 14 2HB PHE 14 2.416 13.068 -0.949 114 HD1 PHE 14 1HD PHE 14 2.777 14.456 0.984 115 HD2 PHE 14 2HD PHE 14 4.595 15.530 -2.789 116 HE1 PHE 14 1HE PHE 14 4.191 16.124 2.130 117 HE2 PHE 14 2HE PHE 14 5.945 17.230 -1.628 118 HZ PHE 14 HZ PHE 14 5.738 17.558 0.821 119 H SER 15 H SER 15 5.541 13.342 -4.147 120 HA SER 15 HA SER 15 6.632 10.872 -3.517 121 1HB SER 15 1HB SER 15 7.436 12.469 -5.247 122 2HB SER 15 2HB SER 15 8.219 13.408 -3.962 123 HG SER 15 HG SER 15 9.596 11.882 -5.057 124 H THR 16 H THR 16 7.108 13.915 -1.567 125 HA THR 16 HA THR 16 8.762 12.732 0.345 126 HB THR 16 HB THR 16 6.739 14.947 0.699 127 HG1 THR 16 1HG THR 16 8.304 16.231 -0.199 128 1HG2 THR 16 1HG2 THR 16 9.294 14.283 2.227 129 2HG2 THR 16 2HG2 THR 16 8.446 15.842 2.333 130 3HG2 THR 16 3HG2 THR 16 7.641 14.366 2.865 131 H MET 17 H MET 17 5.152 12.548 0.111 132 HA MET 17 HA MET 17 4.727 11.286 2.659 133 1HB MET 17 1HB MET 17 2.928 12.264 1.233 134 2HB MET 17 2HB MET 17 3.191 10.978 0.062 135 1HG MET 17 1HG MET 17 1.565 9.944 1.038 136 2HG MET 17 2HG MET 17 2.722 9.486 2.280 137 1HE MET 17 1HE MET 17 -0.429 9.471 2.292 138 2HE MET 17 2HE MET 17 0.542 8.898 3.653 139 3HE MET 17 3HE MET 17 -0.797 10.031 3.945 140 H ARG 18 H ARG 18 5.836 10.104 -0.565 141 HA ARG 18 HA ARG 18 5.569 7.293 0.084 142 1HB ARG 18 1HB ARG 18 5.878 8.686 -2.236 143 2HB ARG 18 2HB ARG 18 7.569 8.299 -1.944 144 1HG ARG 18 1HG ARG 18 7.058 5.894 -1.940 145 2HG ARG 18 2HG ARG 18 5.328 6.251 -2.020 146 1HD ARG 18 1HD ARG 18 6.014 5.704 -4.257 147 2HD ARG 18 2HD ARG 18 5.668 7.426 -4.187 148 HE ARG 18 HE ARG 18 8.482 6.532 -3.821 149 1HH1 ARG 18 2HH2 ARG 18 6.084 7.857 -6.153 150 2HH1 ARG 18 1HH2 ARG 18 7.295 8.662 -7.067 151 1HH2 ARG 18 2HH1 ARG 18 9.983 7.197 -5.243 152 2HH2 ARG 18 1HH1 ARG 18 9.565 8.081 -6.712 153 H ARG 19 H ARG 19 8.083 9.717 0.283 154 HA ARG 19 HA ARG 19 10.190 8.003 1.195 155 1HB ARG 19 1HB ARG 19 9.976 10.746 0.558 156 2HB ARG 19 2HB ARG 19 10.212 10.764 2.304 157 1HG ARG 19 1HG ARG 19 12.409 10.816 1.354 158 2HG ARG 19 2HG ARG 19 12.172 9.155 1.919 159 1HD ARG 19 1HD ARG 19 11.261 8.811 -0.563 160 2HD ARG 19 2HD ARG 19 12.176 10.271 -0.900 161 HE ARG 19 HE ARG 19 14.147 9.071 0.142 162 1HH1 ARG 19 2HH2 ARG 19 11.604 7.339 -1.626 163 2HH1 ARG 19 1HH2 ARG 19 12.468 5.902 -1.888 164 1HH2 ARG 19 2HH1 ARG 19 15.451 7.237 -0.354 165 2HH2 ARG 19 1HH1 ARG 19 14.798 5.904 -1.260 166 H ILE 20 H ILE 20 7.702 9.892 2.937 167 HA ILE 20 HA ILE 20 8.492 9.123 5.534 168 HB ILE 20 HB ILE 20 6.037 10.329 4.321 169 1HG1 ILE 20 1HG1 ILE 20 6.389 11.886 6.266 170 2HG1 ILE 20 2HG1 ILE 20 7.792 10.948 6.744 171 1HG2 ILE 20 1HG2 ILE 20 4.786 10.227 6.434 172 2HG2 ILE 20 2HG2 ILE 20 4.989 8.632 5.740 173 3HG2 ILE 20 3HG2 ILE 20 6.006 9.116 7.109 174 1HD1 ILE 20 1HD1 ILE 20 8.476 12.966 5.532 175 2HD1 ILE 20 2HD1 ILE 20 8.884 11.564 4.543 176 3HD1 ILE 20 3HD1 ILE 20 7.438 12.548 4.189 177 H VAL 21 H VAL 21 5.812 7.602 3.571 178 HA VAL 21 HA VAL 21 5.328 5.515 5.329 179 HB VAL 21 HB VAL 21 5.268 5.407 2.281 180 1HG1 VAL 21 1HG1 VAL 21 3.998 3.533 4.347 181 2HG1 VAL 21 2HG1 VAL 21 3.594 3.556 2.621 182 3HG1 VAL 21 3HG1 VAL 21 5.214 3.096 3.121 183 1HG2 VAL 21 1HG2 VAL 21 3.080 5.934 4.311 184 2HG2 VAL 21 2HG2 VAL 21 3.741 7.106 3.141 185 3HG2 VAL 21 3HG2 VAL 21 2.827 5.722 2.582 186 H ARG 22 H ARG 22 7.737 5.425 2.635 187 HA ARG 22 HA ARG 22 8.731 2.839 3.314 188 1HB ARG 22 1HB ARG 22 8.966 3.695 1.145 189 2HB ARG 22 2HB ARG 22 9.813 5.145 1.676 190 1HG ARG 22 1HG ARG 22 11.001 2.410 2.076 191 2HG ARG 22 2HG ARG 22 11.091 3.232 0.500 192 1HD ARG 22 1HD ARG 22 12.012 5.254 1.838 193 2HD ARG 22 2HD ARG 22 12.287 4.079 3.143 194 HE ARG 22 HE ARG 22 13.427 3.231 0.607 195 1HH1 ARG 22 2HH2 ARG 22 13.826 5.518 3.255 196 2HH1 ARG 22 1HH2 ARG 22 15.507 5.765 3.089 197 1HH2 ARG 22 2HH1 ARG 22 15.785 3.241 0.520 198 2HH2 ARG 22 1HH1 ARG 22 16.692 4.271 1.577 199 H ASN 23 H ASN 23 9.663 6.069 4.584 200 HA ASN 23 HA ASN 23 11.896 5.106 6.123 201 1HB ASN 23 1HB ASN 23 11.572 7.506 5.648 202 2HB ASN 23 2HB ASN 23 10.094 7.515 6.609 203 1HD2 ASN 23 1HD2 ASN 23 10.334 7.992 8.849 204 2HD2 ASN 23 2HD2 ASN 23 11.883 7.895 9.677 205 H LEU 24 H LEU 24 8.407 5.455 6.855 206 HA LEU 24 HA LEU 24 8.555 4.654 9.611 207 1HB LEU 24 1HB LEU 24 6.255 4.471 7.646 208 2HB LEU 24 2HB LEU 24 6.126 4.207 9.377 209 HG LEU 24 HG LEU 24 7.030 6.833 8.132 210 1HD1 LEU 24 1HD1 LEU 24 4.770 7.658 8.684 211 2HD1 LEU 24 2HD1 LEU 24 4.796 6.404 7.453 212 3HD1 LEU 24 3HD1 LEU 24 4.295 5.992 9.101 213 1HD2 LEU 24 1HD2 LEU 24 6.491 6.101 10.992 214 2HD2 LEU 24 2HD2 LEU 24 7.925 6.824 10.299 215 3HD2 LEU 24 3HD2 LEU 24 6.440 7.775 10.403 216 H LEU 25 H LEU 25 8.089 2.809 6.592 217 HA LEU 25 HA LEU 25 7.837 0.211 7.765 218 1HB LEU 25 1HB LEU 25 8.784 1.298 5.103 219 2HB LEU 25 2HB LEU 25 8.956 -0.412 5.428 220 HG LEU 25 HG LEU 25 6.283 0.942 5.898 221 1HD1 LEU 25 1HD1 LEU 25 6.997 1.530 3.601 222 2HD1 LEU 25 2HD1 LEU 25 7.179 -0.199 3.228 223 3HD1 LEU 25 3HD1 LEU 25 5.595 0.493 3.652 224 1HD2 LEU 25 1HD2 LEU 25 7.096 -1.898 5.118 225 2HD2 LEU 25 2HD2 LEU 25 6.588 -1.377 6.729 226 3HD2 LEU 25 3HD2 LEU 25 5.437 -1.334 5.384 227 H LYS 26 H LYS 26 10.755 2.029 6.709 228 HA LYS 26 HA LYS 26 12.625 0.052 7.610 229 1HB LYS 26 1HB LYS 26 12.831 3.049 7.198 230 2HB LYS 26 2HB LYS 26 14.211 2.046 7.590 231 1HG LYS 26 1HG LYS 26 12.492 1.275 5.211 232 2HG LYS 26 2HG LYS 26 13.523 2.691 5.063 233 1HD LYS 26 1HD LYS 26 14.566 -0.028 5.934 234 2HD LYS 26 2HD LYS 26 14.509 0.514 4.239 235 1HE LYS 26 1HE LYS 26 15.932 2.433 4.723 236 2HE LYS 26 2HE LYS 26 15.913 2.060 6.452 237 1HZ LYS 26 1HZ LYS 26 17.037 -0.063 5.873 238 2HZ LYS 26 2HZ LYS 26 17.249 0.515 4.328 239 3HZ LYS 26 3HZ LYS 26 17.897 1.275 5.637 240 H GLU 27 H GLU 27 10.846 2.576 9.444 241 HA GLU 27 HA GLU 27 12.401 2.216 11.864 242 1HB GLU 27 1HB GLU 27 9.528 3.193 11.691 243 2HB GLU 27 2HB GLU 27 10.662 3.388 13.016 244 1HG GLU 27 1HG GLU 27 11.997 4.525 10.804 245 2HG GLU 27 2HG GLU 27 10.308 5.015 10.627 246 H LEU 28 H LEU 28 10.265 0.096 10.260 247 HA LEU 28 HA LEU 28 9.603 -1.391 12.739 248 1HB LEU 28 1HB LEU 28 8.134 -1.080 10.103 249 2HB LEU 28 2HB LEU 28 7.650 -2.202 11.371 250 HG LEU 28 HG LEU 28 7.859 0.811 11.795 251 1HD1 LEU 28 1HD1 LEU 28 6.181 0.366 10.124 252 2HD1 LEU 28 2HD1 LEU 28 5.473 -0.939 11.115 253 3HD1 LEU 28 3HD1 LEU 28 5.385 0.751 11.662 254 1HD2 LEU 28 1HD2 LEU 28 6.623 -1.411 13.458 255 2HD2 LEU 28 2HD2 LEU 28 8.031 -0.420 13.895 256 3HD2 LEU 28 3HD2 LEU 28 6.429 0.320 13.773 257 H GLY 29 H GLY 29 11.856 -1.484 10.470 258 1HA GLY 29 1HA GLY 29 13.339 -3.188 9.978 259 2HA GLY 29 2HA GLY 29 12.294 -4.317 10.858 260 H PHE 30 H PHE 30 11.561 -2.232 8.000 261 HA PHE 30 HA PHE 30 11.474 -4.649 6.283 262 1HB PHE 30 1HB PHE 30 9.446 -2.396 6.296 263 2HB PHE 30 2HB PHE 30 9.511 -3.718 5.132 264 HD1 PHE 30 1HD PHE 30 8.365 -2.646 8.396 265 HD2 PHE 30 2HD PHE 30 9.242 -6.126 6.020 266 HE1 PHE 30 1HE PHE 30 7.096 -4.054 9.986 267 HE2 PHE 30 2HE PHE 30 7.923 -7.531 7.591 268 HZ PHE 30 HZ PHE 30 6.867 -6.495 9.590 269 H ASN 31 H ASN 31 13.177 -4.364 5.016 270 HA ASN 31 HA ASN 31 13.678 -1.648 3.895 271 1HB ASN 31 1HB ASN 31 15.910 -1.738 4.233 272 2HB ASN 31 2HB ASN 31 15.355 -2.557 5.688 273 1HD2 ASN 31 1HD2 ASN 31 15.435 -5.034 5.584 274 2HD2 ASN 31 2HD2 ASN 31 16.782 -5.730 4.723 275 H ASN 32 H ASN 32 12.875 -4.797 3.042 276 HA ASN 32 HA ASN 32 13.954 -4.629 0.282 277 1HB ASN 32 1HB ASN 32 11.969 -6.518 1.599 278 2HB ASN 32 2HB ASN 32 12.392 -6.573 -0.096 279 1HD2 ASN 32 1HD2 ASN 32 14.059 -6.713 3.132 280 2HD2 ASN 32 2HD2 ASN 32 15.447 -7.580 2.468 281 H VAL 33 H VAL 33 12.856 -2.255 0.795 282 HA VAL 33 HA VAL 33 10.005 -2.177 0.055 283 HB VAL 33 HB VAL 33 10.493 0.355 0.162 284 1HG1 VAL 33 1HG1 VAL 33 9.260 -0.797 1.897 285 2HG1 VAL 33 2HG1 VAL 33 10.756 -1.396 2.649 286 3HG1 VAL 33 3HG1 VAL 33 10.378 0.331 2.667 287 1HG2 VAL 33 1HG2 VAL 33 13.021 0.092 -0.001 288 2HG2 VAL 33 2HG2 VAL 33 12.487 1.100 1.332 289 3HG2 VAL 33 3HG2 VAL 33 13.001 -0.537 1.663 290 H GLU 34 H GLU 34 9.323 -0.935 -1.820 291 HA GLU 34 HA GLU 34 11.267 -0.153 -3.805 292 1HB GLU 34 1HB GLU 34 9.932 -2.640 -4.085 293 2HB GLU 34 2HB GLU 34 8.958 -1.558 -5.005 294 1HG GLU 34 1HG GLU 34 10.636 -2.700 -6.398 295 2HG GLU 34 2HG GLU 34 10.756 -0.947 -6.469 296 H GLU 35 H GLU 35 9.952 1.027 -5.586 297 HA GLU 35 HA GLU 35 7.544 2.302 -4.486 298 1HB GLU 35 1HB GLU 35 10.058 3.670 -5.510 299 2HB GLU 35 2HB GLU 35 8.521 4.504 -5.311 300 1HG GLU 35 1HG GLU 35 8.599 4.372 -2.949 301 2HG GLU 35 2HG GLU 35 9.782 3.069 -2.941 302 H ALA 36 H ALA 36 6.466 3.562 -6.415 303 HA ALA 36 HA ALA 36 7.260 2.541 -9.043 304 1HB ALA 36 1HB ALA 36 5.419 0.991 -8.125 305 2HB ALA 36 2HB ALA 36 4.349 2.409 -8.168 306 3HB ALA 36 3HB ALA 36 5.062 1.796 -9.648 307 H GLU 37 H GLU 37 6.115 3.765 -10.749 308 HA GLU 37 HA GLU 37 6.220 6.578 -10.208 309 1HB GLU 37 1HB GLU 37 5.215 5.007 -12.617 310 2HB GLU 37 2HB GLU 37 5.637 6.715 -12.633 311 1HG GLU 37 1HG GLU 37 7.811 4.849 -11.673 312 2HG GLU 37 2HG GLU 37 7.313 4.649 -13.323 313 H ASP 38 H ASP 38 3.535 4.228 -10.420 314 HA ASP 38 HA ASP 38 1.574 5.737 -9.238 315 1HB ASP 38 1HB ASP 38 0.174 6.588 -10.823 316 2HB ASP 38 2HB ASP 38 1.696 7.032 -11.559 317 H GLY 39 H GLY 39 -0.693 4.568 -9.748 318 1HA GLY 39 1HA GLY 39 -0.586 1.928 -9.155 319 2HA GLY 39 2HA GLY 39 -1.931 2.683 -9.996 320 H VAL 40 H VAL 40 -0.372 3.218 -12.568 321 HA VAL 40 HA VAL 40 -0.920 0.622 -13.724 322 HB VAL 40 HB VAL 40 0.553 2.981 -14.994 323 1HG1 VAL 40 1HG1 VAL 40 -0.987 0.643 -16.211 324 2HG1 VAL 40 2HG1 VAL 40 -0.257 1.992 -17.109 325 3HG1 VAL 40 3HG1 VAL 40 0.777 0.860 -16.238 326 1HG2 VAL 40 1HG2 VAL 40 -1.631 3.610 -15.980 327 2HG2 VAL 40 2HG2 VAL 40 -2.435 2.367 -14.995 328 3HG2 VAL 40 3HG2 VAL 40 -1.649 3.775 -14.228 329 H ASP 41 H ASP 41 2.022 2.485 -12.870 330 HA ASP 41 HA ASP 41 3.866 0.407 -13.668 331 1HB ASP 41 1HB ASP 41 4.506 2.808 -13.323 332 2HB ASP 41 2HB ASP 41 4.237 2.605 -11.608 333 H ALA 42 H ALA 42 2.082 1.127 -10.588 334 HA ALA 42 HA ALA 42 3.449 -0.626 -8.946 335 1HB ALA 42 1HB ALA 42 1.541 -0.424 -7.470 336 2HB ALA 42 2HB ALA 42 1.676 1.132 -8.331 337 3HB ALA 42 3HB ALA 42 0.459 -0.054 -8.810 338 H LEU 43 H LEU 43 0.519 -1.190 -10.919 339 HA LEU 43 HA LEU 43 0.137 -3.925 -10.343 340 1HB LEU 43 1HB LEU 43 -1.333 -2.241 -11.688 341 2HB LEU 43 2HB LEU 43 -0.313 -2.665 -13.058 342 HG LEU 43 HG LEU 43 -0.894 -5.170 -12.285 343 1HD1 LEU 43 1HD1 LEU 43 -3.122 -5.390 -11.332 344 2HD1 LEU 43 2HD1 LEU 43 -2.110 -4.458 -10.237 345 3HD1 LEU 43 3HD1 LEU 43 -3.295 -3.613 -11.246 346 1HD2 LEU 43 1HD2 LEU 43 -1.445 -4.280 -14.463 347 2HD2 LEU 43 2HD2 LEU 43 -2.867 -5.110 -13.809 348 3HD2 LEU 43 3HD2 LEU 43 -2.782 -3.325 -13.798 349 H ASN 44 H ASN 44 2.182 -2.308 -12.773 350 HA ASN 44 HA ASN 44 3.139 -4.713 -13.965 351 1HB ASN 44 1HB ASN 44 3.175 -2.350 -14.965 352 2HB ASN 44 2HB ASN 44 4.622 -2.063 -13.982 353 1HD2 ASN 44 1HD2 ASN 44 6.174 -1.991 -15.775 354 2HD2 ASN 44 2HD2 ASN 44 6.373 -3.360 -16.850 355 H LYS 45 H LYS 45 4.185 -3.010 -11.053 356 HA LYS 45 HA LYS 45 6.642 -4.562 -10.723 357 1HB LYS 45 1HB LYS 45 4.928 -3.009 -8.761 358 2HB LYS 45 2HB LYS 45 6.057 -4.204 -8.198 359 1HG LYS 45 1HG LYS 45 7.233 -2.192 -8.125 360 2HG LYS 45 2HG LYS 45 7.868 -3.030 -9.549 361 1HD LYS 45 1HD LYS 45 6.509 -1.624 -11.021 362 2HD LYS 45 2HD LYS 45 5.675 -0.937 -9.617 363 1HE LYS 45 1HE LYS 45 7.226 0.684 -10.160 364 2HE LYS 45 2HE LYS 45 7.930 -0.157 -8.776 365 1HZ LYS 45 1HZ LYS 45 8.661 -0.638 -11.593 366 2HZ LYS 45 2HZ LYS 45 9.474 0.340 -10.571 367 3HZ LYS 45 3HZ LYS 45 9.426 -1.270 -10.263 368 H LEU 46 H LEU 46 3.241 -4.915 -9.526 369 HA LEU 46 HA LEU 46 3.767 -7.201 -8.005 370 1HB LEU 46 1HB LEU 46 1.118 -7.193 -9.397 371 2HB LEU 46 2HB LEU 46 1.505 -7.593 -7.731 372 HG LEU 46 HG LEU 46 1.426 -4.853 -8.968 373 1HD1 LEU 46 1HD1 LEU 46 -0.610 -4.455 -7.927 374 2HD1 LEU 46 2HD1 LEU 46 -0.758 -5.979 -8.803 375 3HD1 LEU 46 3HD1 LEU 46 -0.557 -6.001 -7.038 376 1HD2 LEU 46 1HD2 LEU 46 2.974 -4.882 -6.990 377 2HD2 LEU 46 2HD2 LEU 46 1.552 -3.873 -6.764 378 3HD2 LEU 46 3HD2 LEU 46 1.623 -5.477 -5.998 379 H GLN 47 H GLN 47 2.664 -7.103 -11.436 380 HA GLN 47 HA GLN 47 2.929 -10.010 -11.589 381 1HB GLN 47 1HB GLN 47 2.038 -9.910 -13.719 382 2HB GLN 47 2HB GLN 47 1.150 -8.760 -12.738 383 1HG GLN 47 1HG GLN 47 2.584 -6.921 -13.751 384 2HG GLN 47 2HG GLN 47 3.237 -8.129 -14.866 385 1HE2 GLN 47 1HE2 GLN 47 1.217 -9.581 -15.854 386 2HE2 GLN 47 2HE2 GLN 47 -0.036 -8.585 -16.561 387 H ALA 48 H ALA 48 5.389 -7.783 -11.503 388 HA ALA 48 HA ALA 48 7.169 -9.367 -13.257 389 1HB ALA 48 1HB ALA 48 7.537 -6.944 -13.129 390 2HB ALA 48 2HB ALA 48 7.803 -7.062 -11.373 391 3HB ALA 48 3HB ALA 48 8.915 -7.858 -12.484 392 H GLY 49 H GLY 49 6.020 -9.228 -9.942 393 1HA GLY 49 1HA GLY 49 5.931 -11.222 -8.739 394 2HA GLY 49 2HA GLY 49 7.429 -11.780 -9.465 395 H GLY 50 H GLY 50 6.687 -11.789 -6.696 396 1HA GLY 50 1HA GLY 50 8.086 -11.898 -4.863 397 2HA GLY 50 2HA GLY 50 9.132 -10.641 -5.525 398 H TYR 51 H TYR 51 6.200 -9.265 -5.949 399 HA TYR 51 HA TYR 51 6.513 -7.564 -3.590 400 1HB TYR 51 1HB TYR 51 4.514 -7.462 -5.882 401 2HB TYR 51 2HB TYR 51 4.693 -6.254 -4.611 402 HD1 TYR 51 1HD TYR 51 6.537 -4.664 -4.625 403 HD2 TYR 51 2HD TYR 51 6.385 -7.825 -7.554 404 HE1 TYR 51 1HE TYR 51 8.407 -3.615 -5.873 405 HE2 TYR 51 2HE TYR 51 8.288 -6.840 -8.741 406 HH TYR 51 HH TYR 51 9.807 -5.161 -8.781 407 H GLY 52 H GLY 52 5.477 -7.855 -1.767 408 1HA GLY 52 1HA GLY 52 3.123 -9.714 -1.659 409 2HA GLY 52 2HA GLY 52 4.401 -9.710 -0.488 410 H PHE 53 H PHE 53 4.109 -6.459 -1.268 411 HA PHE 53 HA PHE 53 1.689 -5.959 0.288 412 1HB PHE 53 1HB PHE 53 4.451 -5.463 1.248 413 2HB PHE 53 2HB PHE 53 3.465 -4.014 1.208 414 HD1 PHE 53 1HD PHE 53 3.665 -7.463 2.628 415 HD2 PHE 53 2HD PHE 53 1.655 -3.656 2.730 416 HE1 PHE 53 1HE PHE 53 2.664 -8.062 4.801 417 HE2 PHE 53 2HE PHE 53 0.707 -4.211 4.919 418 HZ PHE 53 HZ PHE 53 1.216 -6.426 5.995 419 H VAL 54 H VAL 54 0.570 -4.267 -0.497 420 HA VAL 54 HA VAL 54 1.818 -2.692 -2.685 421 HB VAL 54 HB VAL 54 -1.046 -3.668 -2.699 422 1HG1 VAL 54 1HG1 VAL 54 0.949 -2.905 -4.864 423 2HG1 VAL 54 2HG1 VAL 54 -0.661 -3.536 -5.187 424 3HG1 VAL 54 3HG1 VAL 54 -0.490 -1.974 -4.369 425 1HG2 VAL 54 1HG2 VAL 54 1.306 -5.253 -3.732 426 2HG2 VAL 54 2HG2 VAL 54 0.142 -5.723 -2.468 427 3HG2 VAL 54 3HG2 VAL 54 -0.423 -5.515 -4.120 428 H ILE 55 H ILE 55 2.228 -1.025 -1.167 429 HA ILE 55 HA ILE 55 -0.084 0.144 0.227 430 HB ILE 55 HB ILE 55 2.848 0.795 0.612 431 1HG1 ILE 55 1HG1 ILE 55 1.199 -1.396 1.934 432 2HG1 ILE 55 2HG1 ILE 55 2.688 -1.599 1.010 433 1HG2 ILE 55 1HG2 ILE 55 0.477 1.093 2.490 434 2HG2 ILE 55 2HG2 ILE 55 2.133 1.716 2.731 435 3HG2 ILE 55 3HG2 ILE 55 1.120 2.388 1.463 436 1HD1 ILE 55 1HD1 ILE 55 2.528 -0.305 3.750 437 2HD1 ILE 55 2HD1 ILE 55 3.086 -1.927 3.366 438 3HD1 ILE 55 3HD1 ILE 55 3.982 -0.539 2.742 439 H SER 56 H SER 56 -0.987 2.027 -0.657 440 HA SER 56 HA SER 56 0.678 3.568 -2.511 441 1HB SER 56 1HB SER 56 -0.786 3.376 -4.387 442 2HB SER 56 2HB SER 56 -0.364 1.748 -3.892 443 HG SER 56 HG SER 56 -2.787 3.142 -3.354 444 H ASP 57 H ASP 57 -0.378 5.561 -3.212 445 HA ASP 57 HA ASP 57 -2.097 6.842 -1.262 446 1HB ASP 57 1HB ASP 57 -0.510 7.763 -3.332 447 2HB ASP 57 2HB ASP 57 -2.072 7.836 -4.065 448 H TRP 58 H TRP 58 -4.040 7.947 -2.373 449 HA TRP 58 HA TRP 58 -5.729 5.987 -3.836 450 1HB TRP 58 1HB TRP 58 -6.697 7.199 -1.818 451 2HB TRP 58 2HB TRP 58 -6.535 8.701 -2.717 452 HD1 TRP 58 HD TRP 58 -7.765 8.361 -5.375 453 HE1 TRP 58 1HE TRP 58 -10.080 7.432 -5.892 454 HE3 TRP 58 3HE TRP 58 -8.475 5.702 -1.082 455 HZ2 TRP 58 2HZ TRP 58 -12.082 5.849 -4.530 456 HZ3 TRP 58 3HZ TRP 58 -10.582 4.444 -0.750 457 HH2 TRP 58 HH TRP 58 -12.360 4.523 -2.422 458 H ASN 59 H ASN 59 -4.259 9.327 -3.863 459 HA ASN 59 HA ASN 59 -5.399 9.874 -6.503 460 1HB ASN 59 1HB ASN 59 -3.238 11.334 -4.929 461 2HB ASN 59 2HB ASN 59 -3.902 11.890 -6.456 462 1HD2 ASN 59 1HD2 ASN 59 -6.810 11.149 -5.657 463 2HD2 ASN 59 2HD2 ASN 59 -7.182 12.308 -4.392 464 H MET 60 H MET 60 -4.435 9.629 -8.494 465 HA MET 60 HA MET 60 -1.525 9.403 -8.674 466 1HB MET 60 1HB MET 60 -3.443 7.204 -9.542 467 2HB MET 60 2HB MET 60 -1.943 7.443 -10.392 468 1HG MET 60 1HG MET 60 -1.124 5.975 -8.923 469 2HG MET 60 2HG MET 60 -0.907 7.400 -7.924 470 1HE MET 60 1HE MET 60 -0.620 4.899 -6.431 471 2HE MET 60 2HE MET 60 -0.824 6.501 -5.683 472 3HE MET 60 3HE MET 60 -1.763 5.118 -5.086 473 HA PRO 61 HA PRO 61 -2.505 11.605 -12.437 474 1HB PRO 61 1HB PRO 61 -0.688 10.699 -14.297 475 2HB PRO 61 2HB PRO 61 -0.293 11.813 -12.953 476 1HG PRO 61 1HG PRO 61 0.060 8.797 -13.020 477 2HG PRO 61 2HG PRO 61 1.254 10.039 -12.513 478 1HD PRO 61 1HD PRO 61 -0.212 8.737 -10.674 479 2HD PRO 61 2HD PRO 61 0.063 10.483 -10.512 480 H ASN 62 H ASN 62 -2.574 8.021 -12.546 481 HA ASN 62 HA ASN 62 -4.822 8.284 -14.455 482 1HB ASN 62 1HB ASN 62 -2.377 6.555 -14.924 483 2HB ASN 62 2HB ASN 62 -3.957 6.114 -15.562 484 1HD2 ASN 62 1HD2 ASN 62 -1.174 7.861 -16.324 485 2HD2 ASN 62 2HD2 ASN 62 -1.856 8.778 -17.667 486 H MET 63 H MET 63 -3.145 5.384 -13.155 487 HA MET 63 HA MET 63 -5.761 4.310 -12.367 488 1HB MET 63 1HB MET 63 -4.150 2.843 -13.429 489 2HB MET 63 2HB MET 63 -2.949 3.179 -12.173 490 1HG MET 63 1HG MET 63 -4.406 2.152 -10.480 491 2HG MET 63 2HG MET 63 -5.654 1.862 -11.693 492 1HE MET 63 1HE MET 63 -4.338 -1.131 -13.736 493 2HE MET 63 2HE MET 63 -5.742 -0.144 -13.284 494 3HE MET 63 3HE MET 63 -4.400 0.581 -14.204 495 H ASP 64 H ASP 64 -6.525 5.518 -10.723 496 HA ASP 64 HA ASP 64 -5.100 6.326 -8.369 497 1HB ASP 64 1HB ASP 64 -7.262 6.873 -7.480 498 2HB ASP 64 2HB ASP 64 -7.239 7.332 -9.167 499 H GLY 65 H GLY 65 -5.486 5.452 -6.221 500 1HA GLY 65 1HA GLY 65 -4.568 2.836 -6.026 501 2HA GLY 65 2HA GLY 65 -5.253 3.752 -4.683 502 H LEU 66 H LEU 66 -7.957 3.909 -6.141 503 HA LEU 66 HA LEU 66 -8.960 1.406 -5.014 504 1HB LEU 66 1HB LEU 66 -10.080 3.956 -5.329 505 2HB LEU 66 2HB LEU 66 -10.865 3.052 -6.611 506 HG LEU 66 HG LEU 66 -12.108 3.114 -4.517 507 1HD1 LEU 66 1HD1 LEU 66 -12.751 0.794 -4.385 508 2HD1 LEU 66 2HD1 LEU 66 -12.435 1.233 -6.074 509 3HD1 LEU 66 3HD1 LEU 66 -11.241 0.280 -5.166 510 1HD2 LEU 66 1HD2 LEU 66 -9.841 2.930 -3.154 511 2HD2 LEU 66 2HD2 LEU 66 -11.356 2.328 -2.497 512 3HD2 LEU 66 3HD2 LEU 66 -10.181 1.209 -3.204 513 H GLU 67 H GLU 67 -8.426 2.867 -8.203 514 HA GLU 67 HA GLU 67 -9.494 0.598 -9.661 515 1HB GLU 67 1HB GLU 67 -7.561 2.794 -10.489 516 2HB GLU 67 2HB GLU 67 -8.191 1.566 -11.588 517 1HG GLU 67 1HG GLU 67 -9.980 3.436 -9.989 518 2HG GLU 67 2HG GLU 67 -9.385 3.803 -11.603 519 H LEU 68 H LEU 68 -6.238 1.425 -8.386 520 HA LEU 68 HA LEU 68 -4.884 -0.827 -9.487 521 1HB LEU 68 1HB LEU 68 -3.701 1.050 -8.433 522 2HB LEU 68 2HB LEU 68 -4.412 0.649 -6.872 523 HG LEU 68 HG LEU 68 -3.215 -1.520 -6.859 524 1HD1 LEU 68 1HD1 LEU 68 -1.288 -1.837 -8.475 525 2HD1 LEU 68 2HD1 LEU 68 -2.867 -1.973 -9.253 526 3HD1 LEU 68 3HD1 LEU 68 -1.930 -0.487 -9.423 527 1HD2 LEU 68 1HD2 LEU 68 -2.268 0.432 -5.742 528 2HD2 LEU 68 2HD2 LEU 68 -0.981 -0.577 -6.419 529 3HD2 LEU 68 3HD2 LEU 68 -1.459 0.931 -7.236 530 H LEU 69 H LEU 69 -6.446 -0.504 -6.255 531 HA LEU 69 HA LEU 69 -6.323 -3.200 -5.424 532 1HB LEU 69 1HB LEU 69 -7.074 -1.726 -3.818 533 2HB LEU 69 2HB LEU 69 -8.160 -0.886 -4.920 534 HG LEU 69 HG LEU 69 -9.834 -2.576 -4.799 535 1HD1 LEU 69 1HD1 LEU 69 -8.086 -4.559 -4.170 536 2HD1 LEU 69 2HD1 LEU 69 -8.636 -4.134 -2.546 537 3HD1 LEU 69 3HD1 LEU 69 -9.810 -4.604 -3.758 538 1HD2 LEU 69 1HD2 LEU 69 -8.657 -1.723 -2.148 539 2HD2 LEU 69 2HD2 LEU 69 -9.874 -0.860 -3.093 540 3HD2 LEU 69 3HD2 LEU 69 -10.303 -2.375 -2.297 541 H LYS 70 H LYS 70 -8.907 -1.606 -7.389 542 HA LYS 70 HA LYS 70 -10.423 -4.035 -7.596 543 1HB LYS 70 1HB LYS 70 -10.504 -1.352 -9.021 544 2HB LYS 70 2HB LYS 70 -11.545 -2.690 -9.507 545 1HG LYS 70 1HG LYS 70 -12.357 -2.914 -7.163 546 2HG LYS 70 2HG LYS 70 -11.442 -1.475 -6.708 547 1HD LYS 70 1HD LYS 70 -12.807 -0.049 -8.062 548 2HD LYS 70 2HD LYS 70 -13.402 -1.400 -9.028 549 1HE LYS 70 1HE LYS 70 -14.375 -2.301 -6.764 550 2HE LYS 70 2HE LYS 70 -14.184 -0.627 -6.201 551 1HZ LYS 70 1HZ LYS 70 -15.670 0.071 -7.925 552 2HZ LYS 70 2HZ LYS 70 -15.696 -1.446 -8.598 553 3HZ LYS 70 3HZ LYS 70 -16.381 -1.215 -7.149 554 H THR 71 H THR 71 -7.738 -2.816 -9.524 555 HA THR 71 HA THR 71 -8.103 -4.766 -11.635 556 HB THR 71 HB THR 71 -5.571 -3.297 -10.771 557 HG1 THR 71 1HG THR 71 -7.140 -1.806 -11.240 558 1HG2 THR 71 1HG2 THR 71 -5.186 -5.174 -12.359 559 2HG2 THR 71 2HG2 THR 71 -6.432 -4.513 -13.441 560 3HG2 THR 71 3HG2 THR 71 -4.943 -3.596 -13.138 561 H ILE 72 H ILE 72 -6.037 -4.560 -8.661 562 HA ILE 72 HA ILE 72 -4.804 -7.070 -8.832 563 HB ILE 72 HB ILE 72 -5.554 -5.194 -6.555 564 1HG1 ILE 72 1HG1 ILE 72 -2.844 -6.069 -7.646 565 2HG1 ILE 72 2HG1 ILE 72 -3.739 -4.726 -8.341 566 1HG2 ILE 72 1HG2 ILE 72 -3.840 -7.703 -6.240 567 2HG2 ILE 72 2HG2 ILE 72 -4.059 -6.453 -5.018 568 3HG2 ILE 72 3HG2 ILE 72 -5.421 -7.447 -5.479 569 1HD1 ILE 72 1HD1 ILE 72 -3.827 -3.670 -6.018 570 2HD1 ILE 72 2HD1 ILE 72 -2.574 -4.854 -5.553 571 3HD1 ILE 72 3HD1 ILE 72 -2.277 -3.672 -6.838 572 H ARG 73 H ARG 73 -7.992 -6.174 -7.649 573 HA ARG 73 HA ARG 73 -8.851 -8.552 -6.449 574 1HB ARG 73 1HB ARG 73 -9.896 -6.177 -6.667 575 2HB ARG 73 2HB ARG 73 -10.636 -6.787 -8.154 576 1HG ARG 73 1HG ARG 73 -11.767 -8.543 -6.846 577 2HG ARG 73 2HG ARG 73 -10.942 -7.985 -5.372 578 1HD ARG 73 1HD ARG 73 -11.972 -5.720 -5.691 579 2HD ARG 73 2HD ARG 73 -12.903 -6.342 -7.056 580 HE ARG 73 HE ARG 73 -13.346 -6.690 -4.234 581 1HH1 ARG 73 2HH2 ARG 73 -14.024 -8.210 -7.404 582 2HH1 ARG 73 1HH2 ARG 73 -15.141 -9.374 -6.767 583 1HH2 ARG 73 2HH1 ARG 73 -14.777 -8.212 -3.402 584 2HH2 ARG 73 1HH1 ARG 73 -15.280 -9.578 -4.352 585 H ALA 74 H ALA 74 -8.224 -7.967 -9.845 586 HA ALA 74 HA ALA 74 -9.546 -10.383 -10.824 587 1HB ALA 74 1HB ALA 74 -10.758 -8.928 -12.381 588 2HB ALA 74 2HB ALA 74 -11.131 -8.445 -10.713 589 3HB ALA 74 3HB ALA 74 -9.976 -7.486 -11.670 590 H ASP 75 H ASP 75 -6.770 -10.113 -10.529 591 HA ASP 75 HA ASP 75 -5.853 -9.716 -13.317 592 1HB ASP 75 1HB ASP 75 -3.919 -8.596 -12.703 593 2HB ASP 75 2HB ASP 75 -5.230 -7.766 -11.901 594 H GLY 76 H GLY 76 -3.152 -10.445 -12.506 595 1HA GLY 76 1HA GLY 76 -3.093 -13.241 -13.057 596 2HA GLY 76 2HA GLY 76 -1.758 -12.179 -12.597 597 H ALA 77 H ALA 77 -4.691 -13.018 -10.941 598 HA ALA 77 HA ALA 77 -5.275 -13.976 -8.994 599 1HB ALA 77 1HB ALA 77 -2.633 -15.455 -9.141 600 2HB ALA 77 2HB ALA 77 -4.025 -15.893 -8.148 601 3HB ALA 77 3HB ALA 77 -4.163 -15.954 -9.914 602 H MET 78 H MET 78 -3.639 -11.356 -9.027 603 HA MET 78 HA MET 78 -2.063 -11.489 -6.549 604 1HB MET 78 1HB MET 78 -3.055 -9.039 -7.991 605 2HB MET 78 2HB MET 78 -1.810 -9.133 -6.791 606 1HG MET 78 1HG MET 78 -1.632 -10.471 -9.501 607 2HG MET 78 2HG MET 78 -0.889 -8.940 -9.066 608 1HE MET 78 1HE MET 78 2.072 -11.472 -9.565 609 2HE MET 78 2HE MET 78 0.473 -11.741 -10.300 610 3HE MET 78 3HE MET 78 1.150 -10.102 -10.234 611 H SER 79 H SER 79 -5.401 -11.587 -6.943 612 HA SER 79 HA SER 79 -6.337 -9.522 -5.500 613 1HB SER 79 1HB SER 79 -8.401 -10.675 -5.163 614 2HB SER 79 2HB SER 79 -7.741 -11.084 -6.747 615 HG SER 79 HG SER 79 -8.170 -12.603 -4.496 616 H ALA 80 H ALA 80 -4.758 -12.280 -4.037 617 HA ALA 80 HA ALA 80 -5.754 -11.976 -1.359 618 1HB ALA 80 1HB ALA 80 -4.730 -14.066 -2.196 619 2HB ALA 80 2HB ALA 80 -3.169 -13.227 -2.363 620 3HB ALA 80 3HB ALA 80 -3.890 -13.453 -0.756 621 H LEU 81 H LEU 81 -3.472 -10.092 -3.189 622 HA LEU 81 HA LEU 81 -1.506 -9.530 -1.319 623 1HB LEU 81 1HB LEU 81 -2.645 -8.105 -3.729 624 2HB LEU 81 2HB LEU 81 -1.553 -7.203 -2.710 625 HG LEU 81 HG LEU 81 -0.866 -9.857 -4.015 626 1HD1 LEU 81 1HD1 LEU 81 0.539 -7.324 -4.794 627 2HD1 LEU 81 2HD1 LEU 81 0.154 -8.729 -5.744 628 3HD1 LEU 81 3HD1 LEU 81 -1.114 -7.531 -5.395 629 1HD2 LEU 81 1HD2 LEU 81 1.489 -9.144 -3.387 630 2HD2 LEU 81 2HD2 LEU 81 0.791 -7.884 -2.366 631 3HD2 LEU 81 3HD2 LEU 81 0.493 -9.593 -2.008 632 HA PRO 82 HA PRO 82 -3.611 -6.700 1.479 633 1HB PRO 82 1HB PRO 82 -1.512 -5.721 2.902 634 2HB PRO 82 2HB PRO 82 -2.169 -7.373 3.136 635 1HG PRO 82 1HG PRO 82 0.208 -6.510 1.526 636 2HG PRO 82 2HG PRO 82 0.107 -7.883 2.638 637 1HD PRO 82 1HD PRO 82 -0.176 -8.124 -0.099 638 2HD PRO 82 2HD PRO 82 -1.032 -9.200 1.040 639 H VAL 83 H VAL 83 -4.393 -5.190 0.131 640 HA VAL 83 HA VAL 83 -2.668 -3.141 -1.120 641 HB VAL 83 HB VAL 83 -4.907 -2.455 -2.160 642 1HG1 VAL 83 1HG1 VAL 83 -4.719 -4.196 -3.924 643 2HG1 VAL 83 2HG1 VAL 83 -3.173 -3.470 -3.475 644 3HG1 VAL 83 3HG1 VAL 83 -3.599 -5.102 -2.886 645 1HG2 VAL 83 1HG2 VAL 83 -5.714 -5.258 -1.246 646 2HG2 VAL 83 2HG2 VAL 83 -6.487 -3.717 -0.820 647 3HG2 VAL 83 3HG2 VAL 83 -6.503 -4.312 -2.490 648 H LEU 84 H LEU 84 -2.278 -1.419 0.108 649 HA LEU 84 HA LEU 84 -4.154 -0.824 2.362 650 1HB LEU 84 1HB LEU 84 -2.187 -1.992 3.150 651 2HB LEU 84 2HB LEU 84 -1.123 -0.872 2.288 652 HG LEU 84 HG LEU 84 -1.769 0.968 3.732 653 1HD1 LEU 84 1HD1 LEU 84 -3.740 -0.958 4.999 654 2HD1 LEU 84 2HD1 LEU 84 -3.220 0.581 5.745 655 3HD1 LEU 84 3HD1 LEU 84 -4.071 0.608 4.210 656 1HD2 LEU 84 1HD2 LEU 84 -1.166 -1.519 5.365 657 2HD2 LEU 84 2HD2 LEU 84 0.023 -0.554 4.470 658 3HD2 LEU 84 3HD2 LEU 84 -0.831 0.161 5.839 659 H MET 85 H MET 85 -5.096 1.024 2.077 660 HA MET 85 HA MET 85 -4.137 3.031 0.177 661 1HB MET 85 1HB MET 85 -6.489 3.101 2.131 662 2HB MET 85 2HB MET 85 -6.233 4.186 0.773 663 1HG MET 85 1HG MET 85 -6.679 1.169 0.507 664 2HG MET 85 2HG MET 85 -7.965 2.352 0.446 665 1HE MET 85 1HE MET 85 -8.405 0.813 -1.709 666 2HE MET 85 2HE MET 85 -7.446 0.903 -3.202 667 3HE MET 85 3HE MET 85 -6.796 0.048 -1.789 668 H VAL 86 H VAL 86 -2.539 4.485 0.852 669 HA VAL 86 HA VAL 86 -2.681 5.571 3.611 670 HB VAL 86 HB VAL 86 -0.114 4.855 2.117 671 1HG1 VAL 86 1HG1 VAL 86 -0.654 6.081 4.858 672 2HG1 VAL 86 2HG1 VAL 86 0.900 5.358 4.393 673 3HG1 VAL 86 3HG1 VAL 86 0.290 6.748 3.500 674 1HG2 VAL 86 1HG2 VAL 86 -1.445 3.463 4.471 675 2HG2 VAL 86 2HG2 VAL 86 -1.092 2.820 2.851 676 3HG2 VAL 86 3HG2 VAL 86 0.236 3.200 3.951 677 H THR 87 H THR 87 -3.484 7.579 3.207 678 HA THR 87 HA THR 87 -2.349 9.132 0.954 679 HB THR 87 HB THR 87 -4.047 7.674 0.003 680 HG1 THR 87 1HG THR 87 -4.125 9.545 -0.978 681 1HG2 THR 87 1HG2 THR 87 -5.931 8.755 2.128 682 2HG2 THR 87 2HG2 THR 87 -6.445 7.849 0.686 683 3HG2 THR 87 3HG2 THR 87 -5.425 7.071 1.898 684 H ALA 88 H ALA 88 -3.538 11.324 0.888 685 HA ALA 88 HA ALA 88 -4.074 12.365 3.617 686 1HB ALA 88 1HB ALA 88 -2.621 13.671 2.029 687 2HB ALA 88 2HB ALA 88 -4.005 13.775 0.921 688 3HB ALA 88 3HB ALA 88 -4.098 14.535 2.518 689 H GLU 89 H GLU 89 -5.697 10.967 0.955 690 HA GLU 89 HA GLU 89 -8.140 12.511 1.075 691 1HB GLU 89 1HB GLU 89 -7.381 9.885 -0.285 692 2HB GLU 89 2HB GLU 89 -8.869 10.772 -0.577 693 1HG GLU 89 1HG GLU 89 -6.203 12.197 -0.992 694 2HG GLU 89 2HG GLU 89 -6.753 11.020 -2.173 695 H ALA 90 H ALA 90 -9.026 12.339 3.141 696 HA ALA 90 HA ALA 90 -9.687 9.759 4.377 697 1HB ALA 90 1HB ALA 90 -9.682 11.742 5.810 698 2HB ALA 90 2HB ALA 90 -10.838 12.569 4.762 699 3HB ALA 90 3HB ALA 90 -11.329 11.127 5.683 700 H LYS 91 H LYS 91 -12.139 12.120 3.482 701 HA LYS 91 HA LYS 91 -14.130 11.971 2.492 702 1HB LYS 91 1HB LYS 91 -12.815 12.306 0.530 703 2HB LYS 91 2HB LYS 91 -12.507 10.585 0.341 704 1HG LYS 91 1HG LYS 91 -14.853 10.151 -0.170 705 2HG LYS 91 2HG LYS 91 -15.291 11.825 0.224 706 1HD LYS 91 1HD LYS 91 -13.733 12.578 -1.631 707 2HD LYS 91 2HD LYS 91 -13.511 10.869 -2.041 708 1HE LYS 91 1HE LYS 91 -16.086 10.780 -2.313 709 2HE LYS 91 2HE LYS 91 -16.026 12.549 -2.244 710 1HZ LYS 91 1HZ LYS 91 -15.895 12.024 -4.486 711 2HZ LYS 91 2HZ LYS 91 -14.324 12.309 -4.105 712 3HZ LYS 91 3HZ LYS 91 -14.866 10.760 -4.276 713 H LYS 92 H LYS 92 -15.294 10.844 3.948 714 HA LYS 92 HA LYS 92 -15.527 8.222 4.546 715 1HB LYS 92 1HB LYS 92 -17.954 9.923 3.771 716 2HB LYS 92 2HB LYS 92 -18.009 8.468 4.739 717 1HG LYS 92 1HG LYS 92 -17.482 9.521 6.641 718 2HG LYS 92 2HG LYS 92 -16.138 10.379 5.931 719 1HD LYS 92 1HD LYS 92 -19.067 11.238 5.844 720 2HD LYS 92 2HD LYS 92 -17.778 11.937 6.831 721 1HE LYS 92 1HE LYS 92 -16.554 12.501 4.665 722 2HE LYS 92 2HE LYS 92 -18.010 12.014 3.792 723 1HZ LYS 92 1HZ LYS 92 -19.197 13.795 4.922 724 2HZ LYS 92 2HZ LYS 92 -17.807 14.235 5.735 725 3HZ LYS 92 3HZ LYS 92 -17.871 14.353 4.121 726 H GLU 93 H GLU 93 -16.967 9.498 1.482 727 HA GLU 93 HA GLU 93 -17.972 7.033 0.584 728 1HB GLU 93 1HB GLU 93 -18.443 9.331 -0.239 729 2HB GLU 93 2HB GLU 93 -16.918 9.324 -1.121 730 1HG GLU 93 1HG GLU 93 -17.634 7.507 -2.527 731 2HG GLU 93 2HG GLU 93 -19.007 7.138 -1.474 732 H ASN 94 H ASN 94 -14.668 8.307 0.395 733 HA ASN 94 HA ASN 94 -13.703 6.345 -1.500 734 1HB ASN 94 1HB ASN 94 -12.356 8.344 0.321 735 2HB ASN 94 2HB ASN 94 -11.462 6.994 -0.285 736 1HD2 ASN 94 1HD2 ASN 94 -10.132 8.574 -1.331 737 2HD2 ASN 94 2HD2 ASN 94 -10.563 9.036 -2.961 738 H ILE 95 H ILE 95 -13.844 6.703 2.085 739 HA ILE 95 HA ILE 95 -12.633 4.184 2.688 740 HB ILE 95 HB ILE 95 -14.583 5.903 4.257 741 1HG1 ILE 95 1HG1 ILE 95 -12.536 5.653 5.881 742 2HG1 ILE 95 2HG1 ILE 95 -11.651 5.125 4.468 743 1HG2 ILE 95 1HG2 ILE 95 -15.219 3.576 4.828 744 2HG2 ILE 95 2HG2 ILE 95 -13.522 3.228 5.214 745 3HG2 ILE 95 3HG2 ILE 95 -14.442 4.405 6.163 746 1HD1 ILE 95 1HD1 ILE 95 -12.147 7.262 3.345 747 2HD1 ILE 95 2HD1 ILE 95 -13.143 7.790 4.723 748 3HD1 ILE 95 3HD1 ILE 95 -11.396 7.574 4.911 749 H ILE 96 H ILE 96 -16.182 4.904 2.020 750 HA ILE 96 HA ILE 96 -16.984 2.205 2.185 751 HB ILE 96 HB ILE 96 -17.946 4.588 0.590 752 1HG1 ILE 96 1HG1 ILE 96 -19.849 3.266 2.423 753 2HG1 ILE 96 2HG1 ILE 96 -18.346 3.642 3.266 754 1HG2 ILE 96 1HG2 ILE 96 -19.220 1.849 0.524 755 2HG2 ILE 96 2HG2 ILE 96 -19.985 3.371 0.000 756 3HG2 ILE 96 3HG2 ILE 96 -18.573 2.787 -0.857 757 1HD1 ILE 96 1HD1 ILE 96 -19.824 5.686 1.587 758 2HD1 ILE 96 2HD1 ILE 96 -20.017 5.455 3.348 759 3HD1 ILE 96 3HD1 ILE 96 -18.467 5.944 2.688 760 H ALA 97 H ALA 97 -15.868 3.997 -0.809 761 HA ALA 97 HA ALA 97 -16.181 1.785 -2.511 762 1HB ALA 97 1HB ALA 97 -15.814 3.869 -3.559 763 2HB ALA 97 2HB ALA 97 -14.352 4.190 -2.635 764 3HB ALA 97 3HB ALA 97 -14.338 2.949 -3.907 765 H ALA 98 H ALA 98 -13.342 2.657 -0.531 766 HA ALA 98 HA ALA 98 -11.646 0.497 -1.293 767 1HB ALA 98 1HB ALA 98 -10.780 2.350 0.015 768 2HB ALA 98 2HB ALA 98 -11.898 2.006 1.351 769 3HB ALA 98 3HB ALA 98 -10.595 0.872 0.961 770 H ALA 99 H ALA 99 -14.044 0.691 1.386 771 HA ALA 99 HA ALA 99 -13.608 -1.945 2.330 772 1HB ALA 99 1HB ALA 99 -15.664 -1.608 3.561 773 2HB ALA 99 2HB ALA 99 -14.843 -0.036 3.501 774 3HB ALA 99 3HB ALA 99 -16.217 -0.345 2.446 775 H GLN 100 H GLN 100 -16.004 -0.691 0.007 776 HA GLN 100 HA GLN 100 -17.420 -3.060 -0.574 777 1HB GLN 100 1HB GLN 100 -16.758 -0.686 -2.394 778 2HB GLN 100 2HB GLN 100 -17.910 -1.958 -2.745 779 1HG GLN 100 1HG GLN 100 -18.832 -1.037 -0.284 780 2HG GLN 100 2HG GLN 100 -18.146 0.418 -1.000 781 1HE2 GLN 100 1HE2 GLN 100 -20.121 1.563 -1.485 782 2HE2 GLN 100 2HE2 GLN 100 -21.291 0.872 -2.594 783 H ALA 101 H ALA 101 -14.630 -1.618 -2.346 784 HA ALA 101 HA ALA 101 -14.265 -3.791 -4.148 785 1HB ALA 101 1HB ALA 101 -13.372 -1.525 -4.511 786 2HB ALA 101 2HB ALA 101 -12.308 -1.696 -3.115 787 3HB ALA 101 3HB ALA 101 -12.067 -2.727 -4.546 788 H GLY 102 H GLY 102 -13.347 -3.422 -0.787 789 1HA GLY 102 1HA GLY 102 -12.864 -5.262 0.577 790 2HA GLY 102 2HA GLY 102 -12.289 -6.177 -0.826 791 H ALA 103 H ALA 103 -11.305 -2.832 0.035 792 HA ALA 103 HA ALA 103 -8.551 -3.463 -0.352 793 1HB ALA 103 1HB ALA 103 -8.048 -1.257 0.145 794 2HB ALA 103 2HB ALA 103 -9.735 -1.080 -0.365 795 3HB ALA 103 3HB ALA 103 -9.339 -1.103 1.358 796 H SER 104 H SER 104 -6.822 -3.610 1.218 797 HA SER 104 HA SER 104 -7.698 -5.222 3.447 798 1HB SER 104 1HB SER 104 -4.854 -4.493 2.727 799 2HB SER 104 2HB SER 104 -5.510 -5.981 3.458 800 HG SER 104 HG SER 104 -6.601 -6.369 1.468 801 H GLY 105 H GLY 105 -7.162 -1.832 3.109 802 1HA GLY 105 1HA GLY 105 -7.810 -1.263 5.697 803 2HA GLY 105 2HA GLY 105 -6.039 -1.399 5.753 804 H TYR 106 H TYR 106 -6.888 0.954 6.462 805 HA TYR 106 HA TYR 106 -6.365 2.769 4.208 806 1HB TYR 106 1HB TYR 106 -8.917 2.370 5.172 807 2HB TYR 106 2HB TYR 106 -8.374 3.619 6.261 808 HD1 TYR 106 1HD TYR 106 -7.288 5.776 5.074 809 HD2 TYR 106 2HD TYR 106 -9.860 2.914 3.105 810 HE1 TYR 106 1HE TYR 106 -7.753 7.407 3.308 811 HE2 TYR 106 2HE TYR 106 -10.423 4.622 1.400 812 HH TYR 106 HH TYR 106 -9.128 7.956 1.566 813 H VAL 107 H VAL 107 -5.192 4.609 4.855 814 HA VAL 107 HA VAL 107 -4.908 5.335 7.694 815 HB VAL 107 HB VAL 107 -2.656 4.951 5.663 816 1HG1 VAL 107 1HG1 VAL 107 -2.570 6.401 8.333 817 2HG1 VAL 107 2HG1 VAL 107 -1.141 5.888 7.406 818 3HG1 VAL 107 3HG1 VAL 107 -2.236 7.086 6.729 819 1HG2 VAL 107 1HG2 VAL 107 -1.574 3.579 7.367 820 2HG2 VAL 107 2HG2 VAL 107 -2.922 3.851 8.484 821 3HG2 VAL 107 3HG2 VAL 107 -3.156 2.916 6.975 822 H VAL 108 H VAL 108 -5.010 7.607 7.854 823 HA VAL 108 HA VAL 108 -4.943 9.148 5.339 824 HB VAL 108 HB VAL 108 -6.714 9.849 7.700 825 1HG1 VAL 108 1HG1 VAL 108 -7.628 11.540 6.195 826 2HG1 VAL 108 2HG1 VAL 108 -5.900 11.758 6.266 827 3HG1 VAL 108 3HG1 VAL 108 -6.615 10.968 4.850 828 1HG2 VAL 108 1HG2 VAL 108 -7.599 8.756 4.997 829 2HG2 VAL 108 2HG2 VAL 108 -7.647 7.842 6.521 830 3HG2 VAL 108 3HG2 VAL 108 -8.652 9.281 6.333 831 H LYS 109 H LYS 109 -3.552 10.930 5.533 832 HA LYS 109 HA LYS 109 -1.692 11.082 7.653 833 1HB LYS 109 1HB LYS 109 -1.029 13.280 6.728 834 2HB LYS 109 2HB LYS 109 -1.305 12.107 5.456 835 1HG LYS 109 1HG LYS 109 -2.527 13.594 4.453 836 2HG LYS 109 2HG LYS 109 -3.803 13.351 5.638 837 1HD LYS 109 1HD LYS 109 -1.620 15.474 5.666 838 2HD LYS 109 2HD LYS 109 -3.266 15.709 5.144 839 1HE LYS 109 1HE LYS 109 -2.442 15.086 7.998 840 2HE LYS 109 2HE LYS 109 -2.844 16.673 7.337 841 1HZ LYS 109 1HZ LYS 109 -4.788 15.889 8.334 842 2HZ LYS 109 2HZ LYS 109 -5.045 15.736 6.732 843 3HZ LYS 109 3HZ LYS 109 -4.702 14.402 7.640 844 HA PRO 110 HA PRO 110 -0.439 12.630 8.857 845 1HB PRO 110 1HB PRO 110 0.110 13.212 11.439 846 2HB PRO 110 2HB PRO 110 -0.253 14.488 10.242 847 1HG PRO 110 1HG PRO 110 -2.126 13.251 12.273 848 2HG PRO 110 2HG PRO 110 -1.902 14.987 11.883 849 1HD PRO 110 1HD PRO 110 -3.924 13.424 10.834 850 2HD PRO 110 2HD PRO 110 -3.209 14.815 9.970 851 H PHE 111 H PHE 111 0.905 10.903 9.803 852 HA PHE 111 HA PHE 111 -0.405 8.789 11.361 853 1HB PHE 111 1HB PHE 111 -0.473 7.233 9.592 854 2HB PHE 111 2HB PHE 111 -1.311 8.628 8.972 855 HD1 PHE 111 1HD PHE 111 0.286 10.337 7.541 856 HD2 PHE 111 2HD PHE 111 1.179 6.181 8.342 857 HE1 PHE 111 1HE PHE 111 1.813 10.293 5.620 858 HE2 PHE 111 2HE PHE 111 2.654 6.137 6.389 859 HZ PHE 111 HZ PHE 111 2.937 8.201 4.974 860 H THR 112 H THR 112 1.141 6.995 11.744 861 HA THR 112 HA THR 112 3.976 7.643 11.235 862 HB THR 112 HB THR 112 4.270 7.346 13.770 863 HG1 THR 112 1HG THR 112 2.235 8.091 14.864 864 1HG2 THR 112 1HG2 THR 112 4.424 9.542 12.585 865 2HG2 THR 112 2HG2 THR 112 2.721 9.837 13.016 866 3HG2 THR 112 3HG2 THR 112 3.944 9.620 14.285 867 H ALA 113 H ALA 113 5.259 5.869 12.680 868 HA ALA 113 HA ALA 113 4.756 3.380 11.390 869 1HB ALA 113 1HB ALA 113 7.018 4.027 12.025 870 2HB ALA 113 2HB ALA 113 6.571 4.086 13.742 871 3HB ALA 113 3HB ALA 113 6.570 2.548 12.868 872 H ALA 114 H ALA 114 3.750 4.765 14.517 873 HA ALA 114 HA ALA 114 2.630 2.433 15.640 874 1HB ALA 114 1HB ALA 114 1.316 3.994 17.022 875 2HB ALA 114 2HB ALA 114 3.015 4.474 16.898 876 3HB ALA 114 3HB ALA 114 1.774 5.337 15.951 877 H THR 115 H THR 115 1.293 4.253 12.860 878 HA THR 115 HA THR 115 -1.127 2.549 13.240 879 HB THR 115 HB THR 115 -1.427 5.005 12.621 880 HG1 THR 115 1HG THR 115 -3.250 4.165 12.244 881 1HG2 THR 115 1HG2 THR 115 -1.553 5.490 10.242 882 2HG2 THR 115 2HG2 THR 115 0.129 5.260 10.762 883 3HG2 THR 115 3HG2 THR 115 -0.718 3.990 9.839 884 H LEU 116 H LEU 116 1.723 3.109 11.161 885 HA LEU 116 HA LEU 116 1.112 1.347 9.086 886 1HB LEU 116 1HB LEU 116 3.093 2.980 9.414 887 2HB LEU 116 2HB LEU 116 3.864 1.680 10.303 888 HG LEU 116 HG LEU 116 4.789 1.755 8.147 889 1HD1 LEU 116 1HD1 LEU 116 4.267 -0.548 9.050 890 2HD1 LEU 116 2HD1 LEU 116 2.865 -0.562 7.962 891 3HD1 LEU 116 3HD1 LEU 116 4.490 -0.440 7.302 892 1HD2 LEU 116 1HD2 LEU 116 2.020 1.497 6.908 893 2HD2 LEU 116 2HD2 LEU 116 3.023 2.968 6.938 894 3HD2 LEU 116 3HD2 LEU 116 3.571 1.542 6.050 895 H GLU 117 H GLU 117 2.798 0.582 12.191 896 HA GLU 117 HA GLU 117 3.033 -2.200 11.732 897 1HB GLU 117 1HB GLU 117 3.851 -2.316 13.938 898 2HB GLU 117 2HB GLU 117 4.370 -0.787 13.277 899 1HG GLU 117 1HG GLU 117 3.738 0.001 15.289 900 2HG GLU 117 2HG GLU 117 2.159 0.117 14.535 901 H GLU 118 H GLU 118 0.415 -0.290 13.218 902 HA GLU 118 HA GLU 118 -0.903 -2.586 14.314 903 1HB GLU 118 1HB GLU 118 -1.251 -0.331 15.177 904 2HB GLU 118 2HB GLU 118 -1.988 0.188 13.645 905 1HG GLU 118 1HG GLU 118 -3.866 -1.278 13.951 906 2HG GLU 118 2HG GLU 118 -3.068 -2.152 15.260 907 H LYS 119 H LYS 119 -1.131 -0.806 11.267 908 HA LYS 119 HA LYS 119 -3.278 -2.380 10.110 909 1HB LYS 119 1HB LYS 119 -1.102 -0.683 8.821 910 2HB LYS 119 2HB LYS 119 -2.505 -1.325 7.964 911 1HG LYS 119 1HG LYS 119 -2.787 0.512 10.376 912 2HG LYS 119 2HG LYS 119 -2.505 1.152 8.766 913 1HD LYS 119 1HD LYS 119 -4.619 0.543 8.008 914 2HD LYS 119 2HD LYS 119 -4.783 -0.770 9.166 915 1HE LYS 119 1HE LYS 119 -6.274 1.083 9.770 916 2HE LYS 119 2HE LYS 119 -5.059 0.806 11.031 917 1HZ LYS 119 1HZ LYS 119 -5.537 3.135 10.402 918 2HZ LYS 119 2HZ LYS 119 -3.917 2.763 10.366 919 3HZ LYS 119 3HZ LYS 119 -4.858 2.883 8.976 920 H LEU 120 H LEU 120 0.311 -2.642 10.097 921 HA LEU 120 HA LEU 120 0.492 -4.908 8.384 922 1HB LEU 120 1HB LEU 120 2.183 -4.184 10.814 923 2HB LEU 120 2HB LEU 120 2.480 -5.574 9.815 924 HG LEU 120 HG LEU 120 2.613 -2.711 8.850 925 1HD1 LEU 120 1HD1 LEU 120 4.429 -3.249 10.399 926 2HD1 LEU 120 2HD1 LEU 120 4.789 -4.716 9.480 927 3HD1 LEU 120 3HD1 LEU 120 5.040 -3.114 8.747 928 1HD2 LEU 120 1HD2 LEU 120 2.018 -4.187 6.998 929 2HD2 LEU 120 2HD2 LEU 120 3.698 -3.654 6.857 930 3HD2 LEU 120 3HD2 LEU 120 3.338 -5.294 7.431 931 H ASN 121 H ASN 121 0.249 -4.825 11.980 932 HA ASN 121 HA ASN 121 -0.087 -7.573 12.303 933 1HB ASN 121 1HB ASN 121 0.391 -5.984 14.111 934 2HB ASN 121 2HB ASN 121 -1.270 -5.380 14.024 935 1HD2 ASN 121 1HD2 ASN 121 -2.340 -6.219 15.845 936 2HD2 ASN 121 2HD2 ASN 121 -2.247 -7.903 16.340 937 H LYS 122 H LYS 122 -2.597 -5.172 11.459 938 HA LYS 122 HA LYS 122 -4.850 -6.951 11.649 939 1HB LYS 122 1HB LYS 122 -4.430 -4.668 9.683 940 2HB LYS 122 2HB LYS 122 -5.898 -5.596 9.831 941 1HG LYS 122 1HG LYS 122 -6.322 -4.782 12.076 942 2HG LYS 122 2HG LYS 122 -4.720 -4.054 12.133 943 1HD LYS 122 1HD LYS 122 -5.492 -2.728 10.008 944 2HD LYS 122 2HD LYS 122 -7.113 -3.097 10.565 945 1HE LYS 122 1HE LYS 122 -5.044 -1.965 12.482 946 2HE LYS 122 2HE LYS 122 -5.813 -0.896 11.311 947 1HZ LYS 122 1HZ LYS 122 -6.988 -0.853 13.369 948 2HZ LYS 122 2HZ LYS 122 -7.961 -1.478 12.203 949 3HZ LYS 122 3HZ LYS 122 -7.288 -2.465 13.327 950 H ILE 123 H ILE 123 -2.942 -6.152 8.600 951 HA ILE 123 HA ILE 123 -4.374 -8.355 7.364 952 HB ILE 123 HB ILE 123 -2.857 -8.011 5.423 953 1HG1 ILE 123 1HG1 ILE 123 -1.145 -6.676 7.187 954 2HG1 ILE 123 2HG1 ILE 123 -1.011 -6.848 5.459 955 1HG2 ILE 123 1HG2 ILE 123 -3.933 -5.852 4.848 956 2HG2 ILE 123 2HG2 ILE 123 -5.048 -7.038 5.546 957 3HG2 ILE 123 3HG2 ILE 123 -4.475 -5.684 6.528 958 1HD1 ILE 123 1HD1 ILE 123 -1.859 -4.678 5.032 959 2HD1 ILE 123 2HD1 ILE 123 -2.549 -4.512 6.652 960 3HD1 ILE 123 3HD1 ILE 123 -0.806 -4.486 6.449 961 H PHE 124 H PHE 124 -1.351 -8.272 9.095 962 HA PHE 124 HA PHE 124 -0.223 -10.763 8.342 963 1HB PHE 124 1HB PHE 124 -0.410 -9.214 10.913 964 2HB PHE 124 2HB PHE 124 0.490 -10.701 10.800 965 HD1 PHE 124 1HD PHE 124 2.140 -8.845 11.843 966 HD2 PHE 124 2HD PHE 124 1.068 -9.099 7.665 967 HE1 PHE 124 1HE PHE 124 4.245 -7.706 11.205 968 HE2 PHE 124 2HE PHE 124 3.164 -7.972 7.064 969 HZ PHE 124 HZ PHE 124 4.773 -7.288 8.816 970 H GLU 125 H GLU 125 -2.635 -9.993 10.984 971 HA GLU 125 HA GLU 125 -2.968 -12.861 11.451 972 1HB GLU 125 1HB GLU 125 -4.367 -10.347 12.458 973 2HB GLU 125 2HB GLU 125 -4.791 -11.967 13.003 974 1HG GLU 125 1HG GLU 125 -1.950 -10.870 13.223 975 2HG GLU 125 2HG GLU 125 -3.175 -10.651 14.471 976 H LYS 126 H LYS 126 -4.986 -10.253 10.082 977 HA LYS 126 HA LYS 126 -7.293 -11.786 9.934 978 1HB LYS 126 1HB LYS 126 -6.815 -9.212 9.980 979 2HB LYS 126 2HB LYS 126 -6.757 -9.314 8.218 980 1HG LYS 126 1HG LYS 126 -9.027 -10.219 10.037 981 2HG LYS 126 2HG LYS 126 -8.958 -8.626 9.286 982 1HD LYS 126 1HD LYS 126 -8.799 -11.101 7.578 983 2HD LYS 126 2HD LYS 126 -10.332 -10.556 8.246 984 1HE LYS 126 1HE LYS 126 -9.921 -8.294 7.181 985 2HE LYS 126 2HE LYS 126 -8.461 -8.964 6.428 986 1HZ LYS 126 1HZ LYS 126 -11.241 -9.819 5.950 987 2HZ LYS 126 2HZ LYS 126 -10.242 -9.041 4.898 988 3HZ LYS 126 3HZ LYS 126 -9.915 -10.595 5.333 989 H LEU 127 H LEU 127 -5.140 -10.734 7.181 990 HA LEU 127 HA LEU 127 -6.327 -12.713 5.424 991 1HB LEU 127 1HB LEU 127 -3.611 -11.489 4.943 992 2HB LEU 127 2HB LEU 127 -4.831 -12.015 3.803 993 HG LEU 127 HG LEU 127 -4.784 -9.486 5.461 994 1HD1 LEU 127 1HD1 LEU 127 -4.856 -9.913 2.451 995 2HD1 LEU 127 2HD1 LEU 127 -4.776 -8.346 3.278 996 3HD1 LEU 127 3HD1 LEU 127 -3.423 -9.487 3.395 997 1HD2 LEU 127 1HD2 LEU 127 -7.119 -10.261 5.428 998 2HD2 LEU 127 2HD2 LEU 127 -6.890 -8.790 4.489 999 3HD2 LEU 127 3HD2 LEU 127 -7.054 -10.365 3.664 1000 H GLY 128 H GLY 128 -3.205 -12.313 7.139 1001 1HA GLY 128 1HA GLY 128 -2.367 -14.432 8.309 1002 2HA GLY 128 2HA GLY 128 -2.607 -15.202 6.745 1003 H MET 129 H MET 129 -1.476 -11.854 6.721 1004 HA MET 129 HA MET 129 0.392 -12.738 4.738 1005 1HB MET 129 2HB MET 129 -0.259 -10.079 6.019 1006 2HB MET 129 3HB MET 129 1.171 -10.226 4.998 1007 1HG MET 129 2HG MET 129 -1.665 -10.938 4.196 1008 2HG MET 129 3HG MET 129 -0.812 -9.480 3.741 1009 1HE MET 129 1HE MET 129 1.616 -9.671 2.448 1010 2HE MET 129 2HE MET 129 2.220 -11.190 3.143 1011 3HE MET 129 3HE MET 129 2.039 -11.032 1.385 Start of MODEL 25 1 1H MET 1 H MET 1 23.558 -17.805 1.594 2 2H MET 1 2HN MET 1 22.934 -19.335 1.485 3 3H MET 1 3HN MET 1 22.691 -18.233 0.273 4 HA MET 1 HA MET 1 20.735 -18.567 1.567 5 1HB MET 1 2HB MET 1 22.227 -17.150 3.805 6 2HB MET 1 3HB MET 1 20.561 -17.710 3.791 7 1HG MET 1 2HG MET 1 21.711 -19.255 5.118 8 2HG MET 1 3HG MET 1 21.449 -20.079 3.592 9 1HE MET 1 1HE MET 1 24.210 -17.409 4.842 10 2HE MET 1 2HE MET 1 23.857 -18.569 6.145 11 3HE MET 1 3HE MET 1 25.443 -18.572 5.350 12 H ALA 2 H ALA 2 19.424 -17.080 0.748 13 HA ALA 2 HA ALA 2 20.063 -14.209 1.045 14 1HB ALA 2 1HB ALA 2 20.333 -14.755 -1.347 15 2HB ALA 2 2HB ALA 2 18.729 -15.526 -1.363 16 3HB ALA 2 3HB ALA 2 18.871 -13.782 -1.084 17 H ASP 3 H ASP 3 17.979 -12.961 1.162 18 HA ASP 3 HA ASP 3 16.015 -14.362 2.847 19 1HB ASP 3 1HB ASP 3 16.363 -11.497 1.901 20 2HB ASP 3 2HB ASP 3 14.883 -12.037 2.693 21 H LYS 4 H LYS 4 13.730 -14.333 2.324 22 HA LYS 4 HA LYS 4 12.861 -14.632 -0.399 23 1HB LYS 4 1HB LYS 4 10.610 -14.453 0.534 24 2HB LYS 4 2HB LYS 4 11.634 -15.505 1.501 25 1HG LYS 4 1HG LYS 4 12.008 -13.424 3.036 26 2HG LYS 4 2HG LYS 4 10.619 -12.730 2.195 27 1HD LYS 4 1HD LYS 4 9.223 -14.670 2.919 28 2HD LYS 4 2HD LYS 4 10.651 -15.433 3.610 29 1HE LYS 4 1HE LYS 4 9.823 -14.558 5.519 30 2HE LYS 4 2HE LYS 4 10.870 -13.230 5.027 31 1HZ LYS 4 1HZ LYS 4 7.934 -13.442 4.724 32 2HZ LYS 4 2HZ LYS 4 8.744 -12.429 5.685 33 3HZ LYS 4 3HZ LYS 4 8.816 -12.201 4.051 34 H GLU 5 H GLU 5 13.859 -11.892 1.313 35 HA GLU 5 HA GLU 5 13.766 -9.680 1.105 36 1HB GLU 5 1HB GLU 5 15.354 -10.649 -0.639 37 2HB GLU 5 2HB GLU 5 14.151 -10.180 -1.851 38 1HG GLU 5 1HG GLU 5 14.292 -7.816 -0.978 39 2HG GLU 5 2HG GLU 5 15.474 -8.354 0.225 40 H LEU 6 H LEU 6 11.416 -10.265 1.644 41 HA LEU 6 HA LEU 6 9.370 -10.018 -0.323 42 1HB LEU 6 1HB LEU 6 8.999 -11.186 1.760 43 2HB LEU 6 2HB LEU 6 9.204 -9.707 2.702 44 HG LEU 6 HG LEU 6 7.225 -9.396 0.527 45 1HD1 LEU 6 1HD1 LEU 6 5.471 -10.801 1.454 46 2HD1 LEU 6 2HD1 LEU 6 6.840 -11.771 0.914 47 3HD1 LEU 6 3HD1 LEU 6 6.594 -11.461 2.653 48 1HD2 LEU 6 1HD2 LEU 6 7.403 -7.778 2.358 49 2HD2 LEU 6 2HD2 LEU 6 5.812 -8.542 2.383 50 3HD2 LEU 6 3HD2 LEU 6 7.040 -9.045 3.552 51 H LYS 7 H LYS 7 8.892 -8.313 -1.446 52 HA LYS 7 HA LYS 7 10.164 -5.809 -0.702 53 1HB LYS 7 1HB LYS 7 10.230 -7.103 -2.968 54 2HB LYS 7 2HB LYS 7 8.623 -6.431 -3.256 55 1HG LYS 7 1HG LYS 7 10.009 -4.877 -4.304 56 2HG LYS 7 2HG LYS 7 9.776 -4.118 -2.739 57 1HD LYS 7 1HD LYS 7 12.063 -3.952 -2.860 58 2HD LYS 7 2HD LYS 7 11.995 -5.556 -2.132 59 1HE LYS 7 1HE LYS 7 12.545 -6.648 -4.123 60 2HE LYS 7 2HE LYS 7 11.843 -5.375 -5.130 61 1HZ LYS 7 1HZ LYS 7 14.230 -5.370 -5.256 62 2HZ LYS 7 2HZ LYS 7 13.686 -3.953 -4.651 63 3HZ LYS 7 3HZ LYS 7 14.403 -5.062 -3.669 64 H PHE 8 H PHE 8 9.163 -3.773 -0.457 65 HA PHE 8 HA PHE 8 6.211 -3.794 -0.073 66 1HB PHE 8 1HB PHE 8 8.582 -2.575 1.322 67 2HB PHE 8 2HB PHE 8 7.100 -1.635 1.256 68 HD1 PHE 8 1HD PHE 8 5.339 -2.046 2.639 69 HD2 PHE 8 2HD PHE 8 8.430 -5.004 2.349 70 HE1 PHE 8 1HE PHE 8 4.318 -3.240 4.555 71 HE2 PHE 8 2HE PHE 8 7.407 -6.232 4.245 72 HZ PHE 8 HZ PHE 8 5.377 -5.355 5.377 73 H LEU 9 H LEU 9 5.317 -3.030 -2.048 74 HA LEU 9 HA LEU 9 6.758 -0.933 -3.491 75 1HB LEU 9 1HB LEU 9 5.250 -2.701 -4.590 76 2HB LEU 9 2HB LEU 9 3.886 -1.872 -3.858 77 HG LEU 9 HG LEU 9 4.516 0.213 -5.116 78 1HD1 LEU 9 1HD1 LEU 9 6.955 -0.198 -5.440 79 2HD1 LEU 9 2HD1 LEU 9 6.584 -1.599 -6.463 80 3HD1 LEU 9 3HD1 LEU 9 6.148 0.047 -6.967 81 1HD2 LEU 9 1HD2 LEU 9 2.845 -1.340 -5.992 82 2HD2 LEU 9 2HD2 LEU 9 3.789 -0.630 -7.312 83 3HD2 LEU 9 3HD2 LEU 9 4.113 -2.296 -6.786 84 H VAL 10 H VAL 10 6.317 1.255 -3.388 85 HA VAL 10 HA VAL 10 3.948 2.193 -1.863 86 HB VAL 10 HB VAL 10 6.629 3.621 -1.997 87 1HG1 VAL 10 1HG1 VAL 10 5.640 5.000 -0.192 88 2HG1 VAL 10 2HG1 VAL 10 4.628 5.053 -1.633 89 3HG1 VAL 10 3HG1 VAL 10 4.144 4.043 -0.259 90 1HG2 VAL 10 1HG2 VAL 10 6.897 3.033 0.433 91 2HG2 VAL 10 2HG2 VAL 10 5.514 1.934 0.312 92 3HG2 VAL 10 3HG2 VAL 10 6.998 1.611 -0.601 93 H VAL 11 H VAL 11 2.574 2.598 -3.630 94 HA VAL 11 HA VAL 11 3.570 3.894 -6.062 95 HB VAL 11 HB VAL 11 0.617 3.727 -5.428 96 1HG1 VAL 11 1HG1 VAL 11 1.340 4.954 -7.365 97 2HG1 VAL 11 2HG1 VAL 11 2.154 3.530 -7.999 98 3HG1 VAL 11 3HG1 VAL 11 0.394 3.516 -7.764 99 1HG2 VAL 11 1HG2 VAL 11 0.548 1.489 -6.466 100 2HG2 VAL 11 2HG2 VAL 11 2.330 1.415 -6.437 101 3HG2 VAL 11 3HG2 VAL 11 1.406 1.430 -4.932 102 H ASP 12 H ASP 12 4.515 5.777 -5.427 103 HA ASP 12 HA ASP 12 3.325 7.358 -3.279 104 1HB ASP 12 1HB ASP 12 5.666 6.648 -3.214 105 2HB ASP 12 2HB ASP 12 6.004 7.573 -4.680 106 H ASP 13 H ASP 13 1.846 8.853 -3.828 107 HA ASP 13 HA ASP 13 1.880 10.348 -6.326 108 1HB ASP 13 1HB ASP 13 -0.224 9.876 -5.154 109 2HB ASP 13 2HB ASP 13 0.348 10.760 -3.732 110 H PHE 14 H PHE 14 3.477 10.766 -3.239 111 HA PHE 14 HA PHE 14 3.486 13.732 -3.603 112 1HB PHE 14 1HB PHE 14 1.964 12.723 -1.910 113 2HB PHE 14 2HB PHE 14 3.368 12.037 -1.105 114 HD1 PHE 14 1HD PHE 14 2.822 15.522 -2.474 115 HD2 PHE 14 2HD PHE 14 3.354 13.017 1.008 116 HE1 PHE 14 1HE PHE 14 3.007 17.520 -1.057 117 HE2 PHE 14 2HE PHE 14 3.548 15.047 2.426 118 HZ PHE 14 HZ PHE 14 3.410 17.309 1.380 119 H SER 15 H SER 15 5.612 11.073 -3.416 120 HA SER 15 HA SER 15 7.857 10.868 -3.488 121 1HB SER 15 1HB SER 15 8.244 13.835 -3.068 122 2HB SER 15 2HB SER 15 9.395 12.644 -3.682 123 HG SER 15 HG SER 15 6.940 13.435 -4.934 124 H THR 16 H THR 16 7.023 13.440 -1.153 125 HA THR 16 HA THR 16 8.487 12.530 1.059 126 HB THR 16 HB THR 16 5.906 14.114 0.863 127 HG1 THR 16 1HG THR 16 7.230 15.849 0.736 128 1HG2 THR 16 1HG2 THR 16 7.989 13.937 3.087 129 2HG2 THR 16 2HG2 THR 16 6.730 15.183 2.994 130 3HG2 THR 16 3HG2 THR 16 6.264 13.494 3.181 131 H MET 17 H MET 17 5.502 11.134 -0.407 132 HA MET 17 HA MET 17 4.727 9.851 2.060 133 1HB MET 17 1HB MET 17 3.457 10.039 -0.407 134 2HB MET 17 2HB MET 17 4.046 8.373 -0.411 135 1HG MET 17 1HG MET 17 1.880 8.325 0.555 136 2HG MET 17 2HG MET 17 3.025 8.099 1.872 137 1HE MET 17 1HE MET 17 0.005 9.865 0.568 138 2HE MET 17 2HE MET 17 0.076 11.546 1.149 139 3HE MET 17 3HE MET 17 1.168 10.999 -0.142 140 H ARG 18 H ARG 18 7.096 9.037 -0.627 141 HA ARG 18 HA ARG 18 7.424 6.371 0.548 142 1HB ARG 18 1HB ARG 18 7.695 6.762 -1.849 143 2HB ARG 18 2HB ARG 18 9.014 7.873 -1.537 144 1HG ARG 18 1HG ARG 18 10.199 5.783 -0.449 145 2HG ARG 18 2HG ARG 18 8.906 4.868 -1.236 146 1HD ARG 18 1HD ARG 18 10.488 4.818 -2.911 147 2HD ARG 18 2HD ARG 18 9.635 6.301 -3.375 148 HE ARG 18 HE ARG 18 11.704 7.021 -1.596 149 1HH1 ARG 18 2HH2 ARG 18 11.216 6.414 -5.052 150 2HH1 ARG 18 1HH2 ARG 18 12.887 6.188 -5.403 151 1HH2 ARG 18 2HH1 ARG 18 14.075 7.093 -2.208 152 2HH2 ARG 18 1HH1 ARG 18 14.349 7.163 -3.916 153 H ARG 19 H ARG 19 9.000 9.558 0.845 154 HA ARG 19 HA ARG 19 11.218 8.756 2.501 155 1HB ARG 19 1HB ARG 19 9.522 11.288 2.508 156 2HB ARG 19 2HB ARG 19 10.678 10.981 3.775 157 1HG ARG 19 1HG ARG 19 11.681 12.442 2.230 158 2HG ARG 19 2HG ARG 19 12.527 10.891 2.154 159 1HD ARG 19 1HD ARG 19 11.549 10.333 0.104 160 2HD ARG 19 2HD ARG 19 10.373 11.666 0.170 161 HE ARG 19 HE ARG 19 12.240 13.242 0.001 162 1HH1 ARG 19 2HH2 ARG 19 12.438 10.138 -1.628 163 2HH1 ARG 19 1HH2 ARG 19 13.873 10.479 -2.524 164 1HH2 ARG 19 2HH1 ARG 19 13.903 13.854 -1.411 165 2HH2 ARG 19 1HH1 ARG 19 14.729 12.688 -2.414 166 H ILE 20 H ILE 20 7.892 9.731 3.471 167 HA ILE 20 HA ILE 20 8.220 8.994 6.187 168 HB ILE 20 HB ILE 20 5.890 9.735 4.441 169 1HG1 ILE 20 1HG1 ILE 20 5.510 11.342 6.278 170 2HG1 ILE 20 2HG1 ILE 20 6.784 10.607 7.243 171 1HG2 ILE 20 1HG2 ILE 20 4.890 7.858 5.667 172 2HG2 ILE 20 2HG2 ILE 20 5.548 8.474 7.195 173 3HG2 ILE 20 3HG2 ILE 20 4.290 9.369 6.320 174 1HD1 ILE 20 1HD1 ILE 20 7.421 12.757 6.170 175 2HD1 ILE 20 2HD1 ILE 20 8.492 11.420 5.703 176 3HD1 ILE 20 3HD1 ILE 20 7.242 12.004 4.587 177 H VAL 21 H VAL 21 6.312 7.129 3.696 178 HA VAL 21 HA VAL 21 5.805 5.023 5.419 179 HB VAL 21 HB VAL 21 6.002 5.084 2.378 180 1HG1 VAL 21 1HG1 VAL 21 6.160 2.733 2.998 181 2HG1 VAL 21 2HG1 VAL 21 4.809 2.896 4.139 182 3HG1 VAL 21 3HG1 VAL 21 4.543 3.059 2.388 183 1HG2 VAL 21 1HG2 VAL 21 3.570 5.282 2.458 184 2HG2 VAL 21 2HG2 VAL 21 3.565 5.087 4.223 185 3HG2 VAL 21 3HG2 VAL 21 4.242 6.549 3.481 186 H ARG 22 H ARG 22 8.721 5.394 3.247 187 HA ARG 22 HA ARG 22 9.759 2.822 3.870 188 1HB ARG 22 1HB ARG 22 10.669 4.298 2.059 189 2HB ARG 22 2HB ARG 22 11.325 5.372 3.293 190 1HG ARG 22 1HG ARG 22 12.324 2.777 3.975 191 2HG ARG 22 2HG ARG 22 12.343 2.829 2.238 192 1HD ARG 22 1HD ARG 22 14.430 3.612 2.740 193 2HD ARG 22 2HD ARG 22 13.546 5.110 2.456 194 HE ARG 22 HE ARG 22 14.628 4.034 4.994 195 1HH1 ARG 22 2HH2 ARG 22 13.300 6.942 3.445 196 2HH1 ARG 22 1HH2 ARG 22 12.993 7.728 4.963 197 1HH2 ARG 22 2HH1 ARG 22 14.531 5.264 6.950 198 2HH2 ARG 22 1HH1 ARG 22 13.913 6.888 6.845 199 H ASN 23 H ASN 23 10.188 6.081 5.481 200 HA ASN 23 HA ASN 23 11.912 5.161 7.547 201 1HB ASN 23 1HB ASN 23 11.440 7.586 7.100 202 2HB ASN 23 2HB ASN 23 9.839 7.377 7.816 203 1HD2 ASN 23 1HD2 ASN 23 9.709 7.718 10.110 204 2HD2 ASN 23 2HD2 ASN 23 11.024 7.323 11.175 205 H LEU 24 H LEU 24 8.334 5.294 7.446 206 HA LEU 24 HA LEU 24 7.918 4.458 10.131 207 1HB LEU 24 1HB LEU 24 6.088 3.766 7.802 208 2HB LEU 24 2HB LEU 24 5.670 3.876 9.507 209 HG LEU 24 HG LEU 24 6.316 6.120 7.603 210 1HD1 LEU 24 1HD1 LEU 24 3.815 5.355 9.046 211 2HD1 LEU 24 2HD1 LEU 24 4.067 6.867 8.130 212 3HD1 LEU 24 3HD1 LEU 24 4.169 5.299 7.314 213 1HD2 LEU 24 1HD2 LEU 24 5.863 7.705 9.502 214 2HD2 LEU 24 2HD2 LEU 24 6.109 6.325 10.606 215 3HD2 LEU 24 3HD2 LEU 24 7.408 6.870 9.557 216 H LEU 25 H LEU 25 8.210 2.582 7.135 217 HA LEU 25 HA LEU 25 7.869 -0.017 8.277 218 1HB LEU 25 1HB LEU 25 9.012 1.161 5.735 219 2HB LEU 25 2HB LEU 25 9.374 -0.503 6.084 220 HG LEU 25 HG LEU 25 6.526 0.500 6.190 221 1HD1 LEU 25 1HD1 LEU 25 7.906 -0.708 3.765 222 2HD1 LEU 25 2HD1 LEU 25 6.201 -0.215 3.900 223 3HD1 LEU 25 3HD1 LEU 25 7.477 1.008 3.949 224 1HD2 LEU 25 1HD2 LEU 25 7.631 -2.290 5.604 225 2HD2 LEU 25 2HD2 LEU 25 7.136 -1.765 7.217 226 3HD2 LEU 25 3HD2 LEU 25 5.943 -1.831 5.921 227 H LYS 26 H LYS 26 10.775 1.995 7.662 228 HA LYS 26 HA LYS 26 12.646 0.113 8.682 229 1HB LYS 26 1HB LYS 26 12.689 3.146 8.425 230 2HB LYS 26 2HB LYS 26 14.050 2.239 9.033 231 1HG LYS 26 1HG LYS 26 12.945 1.239 6.430 232 2HG LYS 26 2HG LYS 26 13.652 2.862 6.410 233 1HD LYS 26 1HD LYS 26 15.700 2.042 7.422 234 2HD LYS 26 2HD LYS 26 15.070 0.399 7.504 235 1HE LYS 26 1HE LYS 26 14.932 0.308 5.032 236 2HE LYS 26 2HE LYS 26 15.394 2.015 4.934 237 1HZ LYS 26 1HZ LYS 26 17.472 1.255 6.170 238 2HZ LYS 26 2HZ LYS 26 17.093 -0.259 5.656 239 3HZ LYS 26 3HZ LYS 26 17.348 0.919 4.555 240 H GLU 27 H GLU 27 10.577 2.476 10.416 241 HA GLU 27 HA GLU 27 11.999 2.454 12.848 242 1HB GLU 27 1HB GLU 27 8.962 2.549 12.595 243 2HB GLU 27 2HB GLU 27 9.888 2.977 14.014 244 1HG GLU 27 1HG GLU 27 9.763 4.531 11.419 245 2HG GLU 27 2HG GLU 27 8.961 4.905 12.904 246 H LEU 28 H LEU 28 9.172 0.404 12.001 247 HA LEU 28 HA LEU 28 10.124 -1.675 13.890 248 1HB LEU 28 1HB LEU 28 7.807 -1.736 14.886 249 2HB LEU 28 2HB LEU 28 8.799 -0.360 15.298 250 HG LEU 28 HG LEU 28 7.573 1.111 13.864 251 1HD1 LEU 28 1HD1 LEU 28 6.857 -0.220 11.966 252 2HD1 LEU 28 2HD1 LEU 28 5.891 -1.284 13.023 253 3HD1 LEU 28 3HD1 LEU 28 5.426 0.406 12.769 254 1HD2 LEU 28 1HD2 LEU 28 5.411 1.066 15.056 255 2HD2 LEU 28 2HD2 LEU 28 5.741 -0.594 15.592 256 3HD2 LEU 28 3HD2 LEU 28 6.772 0.741 16.136 257 H GLY 29 H GLY 29 9.285 -1.312 10.766 258 1HA GLY 29 1HA GLY 29 7.320 -3.543 10.663 259 2HA GLY 29 2HA GLY 29 7.627 -2.330 9.421 260 H PHE 30 H PHE 30 9.224 -2.714 7.890 261 HA PHE 30 HA PHE 30 10.802 -5.148 7.852 262 1HB PHE 30 1HB PHE 30 8.228 -4.772 6.256 263 2HB PHE 30 2HB PHE 30 9.482 -5.907 5.777 264 HD1 PHE 30 1HD PHE 30 9.836 -8.005 6.937 265 HD2 PHE 30 2HD PHE 30 6.890 -5.194 8.364 266 HE1 PHE 30 1HE PHE 30 9.005 -9.695 8.543 267 HE2 PHE 30 2HE PHE 30 6.142 -6.859 10.048 268 HZ PHE 30 HZ PHE 30 7.163 -9.121 10.116 269 H ASN 31 H ASN 31 11.624 -5.228 5.332 270 HA ASN 31 HA ASN 31 12.190 -2.413 4.517 271 1HB ASN 31 1HB ASN 31 14.178 -4.538 5.399 272 2HB ASN 31 2HB ASN 31 14.640 -3.147 4.415 273 1HD2 ASN 31 1HD2 ASN 31 14.084 -4.129 7.662 274 2HD2 ASN 31 2HD2 ASN 31 14.133 -2.504 8.354 275 H ASN 32 H ASN 32 13.930 -2.638 2.623 276 HA ASN 32 HA ASN 32 14.079 -2.654 0.464 277 1HB ASN 32 1HB ASN 32 13.106 -5.500 0.509 278 2HB ASN 32 2HB ASN 32 13.703 -4.633 -0.896 279 1HD2 ASN 32 1HD2 ASN 32 15.875 -5.201 -1.403 280 2HD2 ASN 32 2HD2 ASN 32 17.054 -5.450 -0.133 281 H VAL 33 H VAL 33 12.581 -0.958 0.590 282 HA VAL 33 HA VAL 33 9.898 -1.591 -0.383 283 HB VAL 33 HB VAL 33 9.497 0.801 -0.353 284 1HG1 VAL 33 1HG1 VAL 33 10.888 -0.037 2.240 285 2HG1 VAL 33 2HG1 VAL 33 9.670 1.239 2.035 286 3HG1 VAL 33 3HG1 VAL 33 9.225 -0.443 1.769 287 1HG2 VAL 33 1HG2 VAL 33 11.747 1.614 -1.022 288 2HG2 VAL 33 2HG2 VAL 33 11.116 2.431 0.393 289 3HG2 VAL 33 3HG2 VAL 33 12.372 1.180 0.583 290 H GLU 34 H GLU 34 9.218 -0.432 -2.400 291 HA GLU 34 HA GLU 34 11.267 0.491 -4.236 292 1HB GLU 34 1HB GLU 34 9.091 -1.471 -5.042 293 2HB GLU 34 2HB GLU 34 10.029 -0.539 -6.186 294 1HG GLU 34 1HG GLU 34 11.195 -2.554 -4.249 295 2HG GLU 34 2HG GLU 34 10.784 -2.917 -5.908 296 H GLU 35 H GLU 35 9.812 1.717 -6.046 297 HA GLU 35 HA GLU 35 7.333 2.663 -4.833 298 1HB GLU 35 1HB GLU 35 8.318 4.573 -4.293 299 2HB GLU 35 2HB GLU 35 9.774 4.188 -5.152 300 1HG GLU 35 1HG GLU 35 8.059 4.992 -7.232 301 2HG GLU 35 2HG GLU 35 7.601 6.018 -5.866 302 H ALA 36 H ALA 36 5.908 3.514 -6.435 303 HA ALA 36 HA ALA 36 6.534 2.859 -9.234 304 1HB ALA 36 1HB ALA 36 4.925 1.147 -8.700 305 2HB ALA 36 2HB ALA 36 3.928 2.274 -7.779 306 3HB ALA 36 3HB ALA 36 4.044 2.421 -9.547 307 H GLU 37 H GLU 37 5.656 4.424 -10.624 308 HA GLU 37 HA GLU 37 5.398 7.077 -9.467 309 1HB GLU 37 1HB GLU 37 4.740 6.112 -12.298 310 2HB GLU 37 2HB GLU 37 4.971 7.777 -11.753 311 1HG GLU 37 1HG GLU 37 7.345 6.840 -10.981 312 2HG GLU 37 2HG GLU 37 7.021 5.620 -12.211 313 H ASP 38 H ASP 38 3.113 4.530 -10.478 314 HA ASP 38 HA ASP 38 0.743 6.175 -9.875 315 1HB ASP 38 1HB ASP 38 1.364 7.059 -12.040 316 2HB ASP 38 2HB ASP 38 1.767 5.444 -12.650 317 H GLY 39 H GLY 39 -1.184 4.819 -10.061 318 1HA GLY 39 1HA GLY 39 -1.082 2.123 -9.362 319 2HA GLY 39 2HA GLY 39 -2.443 2.908 -10.168 320 H VAL 40 H VAL 40 -1.142 3.449 -12.800 321 HA VAL 40 HA VAL 40 -1.519 0.779 -13.867 322 HB VAL 40 HB VAL 40 -0.577 3.330 -15.244 323 1HG1 VAL 40 1HG1 VAL 40 -1.397 2.230 -17.302 324 2HG1 VAL 40 2HG1 VAL 40 -0.069 1.325 -16.574 325 3HG1 VAL 40 3HG1 VAL 40 -1.731 0.744 -16.375 326 1HG2 VAL 40 1HG2 VAL 40 -3.350 2.073 -15.000 327 2HG2 VAL 40 2HG2 VAL 40 -2.851 3.568 -14.176 328 3HG2 VAL 40 3HG2 VAL 40 -2.959 3.528 -15.936 329 H ASP 41 H ASP 41 1.273 2.847 -13.150 330 HA ASP 41 HA ASP 41 3.301 1.100 -14.199 331 1HB ASP 41 1HB ASP 41 3.723 3.487 -13.622 332 2HB ASP 41 2HB ASP 41 3.415 3.144 -11.938 333 H ALA 42 H ALA 42 1.653 1.405 -11.007 334 HA ALA 42 HA ALA 42 3.240 -0.300 -9.514 335 1HB ALA 42 1HB ALA 42 0.248 0.181 -9.220 336 2HB ALA 42 2HB ALA 42 1.361 -0.374 -7.969 337 3HB ALA 42 3HB ALA 42 1.518 1.269 -8.644 338 H LEU 43 H LEU 43 0.265 -1.011 -11.366 339 HA LEU 43 HA LEU 43 0.008 -3.727 -10.684 340 1HB LEU 43 1HB LEU 43 -1.541 -2.136 -12.084 341 2HB LEU 43 2HB LEU 43 -0.581 -2.678 -13.457 342 HG LEU 43 HG LEU 43 -1.139 -5.113 -12.484 343 1HD1 LEU 43 1HD1 LEU 43 -3.473 -3.462 -11.420 344 2HD1 LEU 43 2HD1 LEU 43 -3.330 -5.235 -11.402 345 3HD1 LEU 43 3HD1 LEU 43 -2.245 -4.252 -10.414 346 1HD2 LEU 43 1HD2 LEU 43 -1.836 -4.347 -14.668 347 2HD2 LEU 43 2HD2 LEU 43 -3.206 -5.136 -13.870 348 3HD2 LEU 43 3HD2 LEU 43 -3.128 -3.356 -13.975 349 H ASN 44 H ASN 44 1.949 -2.196 -13.235 350 HA ASN 44 HA ASN 44 2.974 -4.631 -14.383 351 1HB ASN 44 1HB ASN 44 2.926 -2.502 -15.619 352 2HB ASN 44 2HB ASN 44 4.065 -1.790 -14.478 353 1HD2 ASN 44 1HD2 ASN 44 5.783 -1.476 -15.852 354 2HD2 ASN 44 2HD2 ASN 44 6.665 -2.738 -16.672 355 H LYS 45 H LYS 45 4.143 -2.483 -11.721 356 HA LYS 45 HA LYS 45 6.586 -3.922 -11.247 357 1HB LYS 45 1HB LYS 45 4.884 -2.929 -8.952 358 2HB LYS 45 2HB LYS 45 6.618 -3.105 -9.023 359 1HG LYS 45 1HG LYS 45 5.034 -1.041 -10.559 360 2HG LYS 45 2HG LYS 45 5.728 -0.788 -8.991 361 1HD LYS 45 1HD LYS 45 7.486 -1.560 -11.327 362 2HD LYS 45 2HD LYS 45 6.950 0.108 -11.062 363 1HE LYS 45 1HE LYS 45 7.783 -0.071 -8.671 364 2HE LYS 45 2HE LYS 45 8.551 -1.604 -9.109 365 1HZ LYS 45 1HZ LYS 45 9.067 1.020 -10.360 366 2HZ LYS 45 2HZ LYS 45 10.045 0.299 -9.263 367 3HZ LYS 45 3HZ LYS 45 9.832 -0.394 -10.754 368 H LEU 46 H LEU 46 3.217 -4.557 -10.098 369 HA LEU 46 HA LEU 46 3.926 -6.699 -8.377 370 1HB LEU 46 1HB LEU 46 1.321 -6.881 -9.885 371 2HB LEU 46 2HB LEU 46 1.674 -7.323 -8.222 372 HG LEU 46 HG LEU 46 1.430 -4.567 -9.382 373 1HD1 LEU 46 1HD1 LEU 46 -0.594 -4.305 -8.293 374 2HD1 LEU 46 2HD1 LEU 46 -0.671 -5.827 -9.186 375 3HD1 LEU 46 3HD1 LEU 46 -0.433 -5.852 -7.421 376 1HD2 LEU 46 1HD2 LEU 46 1.762 -5.195 -6.428 377 2HD2 LEU 46 2HD2 LEU 46 3.037 -4.513 -7.460 378 3HD2 LEU 46 3HD2 LEU 46 1.567 -3.595 -7.191 379 H GLN 47 H GLN 47 2.874 -6.754 -11.805 380 HA GLN 47 HA GLN 47 3.663 -9.573 -12.045 381 1HB GLN 47 1HB GLN 47 2.615 -7.642 -14.141 382 2HB GLN 47 2HB GLN 47 3.021 -9.346 -14.385 383 1HG GLN 47 1HG GLN 47 1.433 -9.713 -12.266 384 2HG GLN 47 2HG GLN 47 0.767 -8.162 -12.779 385 1HE2 GLN 47 1HE2 GLN 47 -1.269 -9.547 -13.064 386 2HE2 GLN 47 2HE2 GLN 47 -1.395 -10.512 -14.533 387 H ALA 48 H ALA 48 5.760 -7.280 -11.516 388 HA ALA 48 HA ALA 48 7.731 -8.045 -13.553 389 1HB ALA 48 1HB ALA 48 8.258 -7.012 -10.735 390 2HB ALA 48 2HB ALA 48 9.349 -6.989 -12.129 391 3HB ALA 48 3HB ALA 48 7.910 -5.938 -12.106 392 H GLY 49 H GLY 49 6.261 -9.411 -10.646 393 1HA GLY 49 1HA GLY 49 7.466 -11.950 -10.934 394 2HA GLY 49 2HA GLY 49 8.399 -11.016 -9.745 395 H GLY 50 H GLY 50 7.347 -10.282 -7.803 396 1HA GLY 50 1HA GLY 50 4.627 -10.915 -7.122 397 2HA GLY 50 2HA GLY 50 5.717 -12.228 -6.650 398 H TYR 51 H TYR 51 4.885 -8.875 -6.209 399 HA TYR 51 HA TYR 51 6.745 -8.174 -4.097 400 1HB TYR 51 1HB TYR 51 4.210 -7.024 -5.281 401 2HB TYR 51 2HB TYR 51 4.794 -6.424 -3.745 402 HD1 TYR 51 1HD TYR 51 6.025 -7.026 -7.288 403 HD2 TYR 51 2HD TYR 51 6.411 -4.774 -3.620 404 HE1 TYR 51 1HE TYR 51 7.664 -5.516 -8.376 405 HE2 TYR 51 2HE TYR 51 7.969 -3.237 -4.730 406 HH TYR 51 HH TYR 51 8.972 -3.598 -8.187 407 H GLY 52 H GLY 52 5.940 -7.677 -1.798 408 1HA GLY 52 1HA GLY 52 3.999 -9.755 -0.871 409 2HA GLY 52 2HA GLY 52 5.210 -8.934 0.093 410 H PHE 53 H PHE 53 4.373 -6.267 -1.298 411 HA PHE 53 HA PHE 53 1.815 -5.759 0.091 412 1HB PHE 53 1HB PHE 53 4.559 -4.823 0.875 413 2HB PHE 53 2HB PHE 53 3.308 -3.600 0.848 414 HD1 PHE 53 1HD PHE 53 4.258 -6.865 2.340 415 HD2 PHE 53 2HD PHE 53 1.672 -3.427 2.561 416 HE1 PHE 53 1HE PHE 53 3.501 -7.588 4.582 417 HE2 PHE 53 2HE PHE 53 0.968 -4.096 4.816 418 HZ PHE 53 HZ PHE 53 1.854 -6.247 5.821 419 H VAL 54 H VAL 54 0.655 -4.213 -0.879 420 HA VAL 54 HA VAL 54 1.878 -2.603 -3.074 421 HB VAL 54 HB VAL 54 -0.993 -3.569 -3.012 422 1HG1 VAL 54 1HG1 VAL 54 0.914 -2.804 -5.246 423 2HG1 VAL 54 2HG1 VAL 54 -0.687 -3.485 -5.511 424 3HG1 VAL 54 3HG1 VAL 54 -0.541 -1.911 -4.725 425 1HG2 VAL 54 1HG2 VAL 54 -0.409 -5.434 -4.416 426 2HG2 VAL 54 2HG2 VAL 54 1.336 -5.126 -4.150 427 3HG2 VAL 54 3HG2 VAL 54 0.272 -5.607 -2.807 428 H ILE 55 H ILE 55 2.331 -1.061 -1.293 429 HA ILE 55 HA ILE 55 0.014 0.197 -0.012 430 HB ILE 55 HB ILE 55 2.929 1.027 0.201 431 1HG1 ILE 55 1HG1 ILE 55 1.446 -1.171 1.689 432 2HG1 ILE 55 2HG1 ILE 55 2.945 -1.313 0.773 433 1HG2 ILE 55 1HG2 ILE 55 2.230 2.052 2.275 434 2HG2 ILE 55 2HG2 ILE 55 1.153 2.592 0.989 435 3HG2 ILE 55 3HG2 ILE 55 0.608 1.338 2.123 436 1HD1 ILE 55 1HD1 ILE 55 4.176 -0.107 2.492 437 2HD1 ILE 55 2HD1 ILE 55 2.681 0.088 3.456 438 3HD1 ILE 55 3HD1 ILE 55 3.316 -1.517 3.152 439 H SER 56 H SER 56 -0.955 2.070 -0.931 440 HA SER 56 HA SER 56 0.540 3.446 -3.081 441 1HB SER 56 1HB SER 56 -1.275 3.187 -4.659 442 2HB SER 56 2HB SER 56 -0.789 1.571 -4.126 443 HG SER 56 HG SER 56 -3.018 3.122 -3.371 444 H ASP 57 H ASP 57 -0.242 5.588 -3.516 445 HA ASP 57 HA ASP 57 -1.997 6.801 -1.544 446 1HB ASP 57 1HB ASP 57 -0.283 7.956 -3.171 447 2HB ASP 57 2HB ASP 57 -1.616 7.905 -4.326 448 H TRP 58 H TRP 58 -4.055 7.914 -2.702 449 HA TRP 58 HA TRP 58 -5.688 5.746 -3.930 450 1HB TRP 58 1HB TRP 58 -6.522 6.665 -1.789 451 2HB TRP 58 2HB TRP 58 -6.558 8.277 -2.480 452 HD1 TRP 58 HD TRP 58 -8.157 8.223 -4.971 453 HE1 TRP 58 1HE TRP 58 -10.454 7.177 -5.303 454 HE3 TRP 58 3HE TRP 58 -8.208 5.161 -0.887 455 HZ2 TRP 58 2HZ TRP 58 -12.136 5.261 -3.946 456 HZ3 TRP 58 3HZ TRP 58 -10.171 3.700 -0.484 457 HH2 TRP 58 HH TRP 58 -12.045 3.666 -2.006 458 H ASN 59 H ASN 59 -5.120 9.313 -3.972 459 HA ASN 59 HA ASN 59 -6.730 9.496 -6.370 460 1HB ASN 59 1HB ASN 59 -5.390 11.576 -4.613 461 2HB ASN 59 2HB ASN 59 -6.280 11.977 -6.078 462 1HD2 ASN 59 1HD2 ASN 59 -8.222 12.895 -5.381 463 2HD2 ASN 59 2HD2 ASN 59 -9.286 12.078 -4.236 464 H MET 60 H MET 60 -5.321 8.196 -7.682 465 HA MET 60 HA MET 60 -3.089 9.698 -8.952 466 1HB MET 60 1HB MET 60 -3.732 6.737 -8.691 467 2HB MET 60 2HB MET 60 -2.640 7.322 -9.932 468 1HG MET 60 1HG MET 60 -2.273 7.696 -6.941 469 2HG MET 60 2HG MET 60 -1.454 6.519 -7.968 470 1HE MET 60 1HE MET 60 1.007 6.970 -7.839 471 2HE MET 60 2HE MET 60 1.693 8.551 -7.499 472 3HE MET 60 3HE MET 60 0.543 7.819 -6.347 473 HA PRO 61 HA PRO 61 -5.588 9.951 -12.662 474 1HB PRO 61 1HB PRO 61 -3.405 9.316 -14.502 475 2HB PRO 61 2HB PRO 61 -4.133 10.890 -14.148 476 1HG PRO 61 1HG PRO 61 -1.537 10.126 -13.406 477 2HG PRO 61 2HG PRO 61 -2.490 11.455 -12.679 478 1HD PRO 61 1HD PRO 61 -2.048 8.668 -11.673 479 2HD PRO 61 2HD PRO 61 -2.202 10.202 -10.773 480 H ASN 62 H ASN 62 -6.000 8.714 -14.792 481 HA ASN 62 HA ASN 62 -6.929 6.889 -15.755 482 1HB ASN 62 1HB ASN 62 -4.193 5.673 -15.196 483 2HB ASN 62 2HB ASN 62 -5.402 5.012 -16.279 484 1HD2 ASN 62 1HD2 ASN 62 -3.013 7.563 -15.894 485 2HD2 ASN 62 2HD2 ASN 62 -3.005 8.019 -17.604 486 H MET 63 H MET 63 -5.166 4.439 -14.132 487 HA MET 63 HA MET 63 -7.585 3.514 -12.707 488 1HB MET 63 1HB MET 63 -5.139 2.147 -13.825 489 2HB MET 63 2HB MET 63 -5.919 1.475 -12.393 490 1HG MET 63 1HG MET 63 -6.881 0.400 -14.286 491 2HG MET 63 2HG MET 63 -8.078 1.435 -13.528 492 1HE MET 63 1HE MET 63 -8.851 0.265 -16.151 493 2HE MET 63 2HE MET 63 -9.772 1.487 -15.255 494 3HE MET 63 3HE MET 63 -9.476 1.701 -16.999 495 H ASP 64 H ASP 64 -7.441 5.130 -11.272 496 HA ASP 64 HA ASP 64 -5.438 5.791 -9.486 497 1HB ASP 64 1HB ASP 64 -7.184 6.714 -8.097 498 2HB ASP 64 2HB ASP 64 -7.539 6.990 -9.787 499 H GLY 65 H GLY 65 -5.751 5.381 -6.935 500 1HA GLY 65 1HA GLY 65 -4.634 2.849 -6.529 501 2HA GLY 65 2HA GLY 65 -5.268 3.902 -5.264 502 H LEU 66 H LEU 66 -8.076 3.713 -6.584 503 HA LEU 66 HA LEU 66 -8.822 1.323 -5.063 504 1HB LEU 66 1HB LEU 66 -9.929 3.612 -4.875 505 2HB LEU 66 2HB LEU 66 -10.671 3.330 -6.432 506 HG LEU 66 HG LEU 66 -12.051 2.933 -4.367 507 1HD1 LEU 66 1HD1 LEU 66 -13.260 1.043 -5.078 508 2HD1 LEU 66 2HD1 LEU 66 -12.752 1.980 -6.499 509 3HD1 LEU 66 3HD1 LEU 66 -11.903 0.469 -6.075 510 1HD2 LEU 66 1HD2 LEU 66 -11.833 0.905 -3.109 511 2HD2 LEU 66 2HD2 LEU 66 -10.517 0.351 -4.140 512 3HD2 LEU 66 3HD2 LEU 66 -10.266 1.746 -3.048 513 H GLU 67 H GLU 67 -8.744 2.557 -8.414 514 HA GLU 67 HA GLU 67 -9.928 0.151 -9.552 515 1HB GLU 67 1HB GLU 67 -8.064 2.217 -10.764 516 2HB GLU 67 2HB GLU 67 -8.793 0.879 -11.650 517 1HG GLU 67 1HG GLU 67 -10.392 3.044 -10.253 518 2HG GLU 67 2HG GLU 67 -9.906 3.106 -11.939 519 H LEU 68 H LEU 68 -6.553 1.195 -8.925 520 HA LEU 68 HA LEU 68 -5.135 -1.063 -9.781 521 1HB LEU 68 1HB LEU 68 -4.009 0.924 -8.927 522 2HB LEU 68 2HB LEU 68 -4.730 0.697 -7.345 523 HG LEU 68 HG LEU 68 -3.422 -1.429 -7.047 524 1HD1 LEU 68 1HD1 LEU 68 -1.438 -1.783 -8.523 525 2HD1 LEU 68 2HD1 LEU 68 -2.957 -1.998 -9.412 526 3HD1 LEU 68 3HD1 LEU 68 -2.032 -0.505 -9.582 527 1HD2 LEU 68 1HD2 LEU 68 -1.284 -0.288 -6.613 528 2HD2 LEU 68 2HD2 LEU 68 -1.834 1.108 -7.569 529 3HD2 LEU 68 3HD2 LEU 68 -2.667 0.670 -6.068 530 H LEU 69 H LEU 69 -6.641 -0.544 -6.544 531 HA LEU 69 HA LEU 69 -6.242 -3.140 -5.496 532 1HB LEU 69 1HB LEU 69 -7.013 -1.480 -4.027 533 2HB LEU 69 2HB LEU 69 -8.315 -1.007 -5.073 534 HG LEU 69 HG LEU 69 -9.690 -2.821 -4.564 535 1HD1 LEU 69 1HD1 LEU 69 -7.822 -4.134 -2.562 536 2HD1 LEU 69 2HD1 LEU 69 -9.341 -4.694 -3.216 537 3HD1 LEU 69 3HD1 LEU 69 -7.891 -4.708 -4.226 538 1HD2 LEU 69 1HD2 LEU 69 -9.515 -0.969 -2.885 539 2HD2 LEU 69 2HD2 LEU 69 -9.951 -2.497 -2.125 540 3HD2 LEU 69 3HD2 LEU 69 -8.280 -1.879 -2.053 541 H LYS 70 H LYS 70 -9.161 -1.924 -7.289 542 HA LYS 70 HA LYS 70 -10.396 -4.511 -7.218 543 1HB LYS 70 1HB LYS 70 -10.802 -2.201 -9.126 544 2HB LYS 70 2HB LYS 70 -11.801 -3.671 -9.108 545 1HG LYS 70 1HG LYS 70 -12.582 -3.238 -6.875 546 2HG LYS 70 2HG LYS 70 -11.474 -1.879 -6.667 547 1HD LYS 70 1HD LYS 70 -12.612 -0.562 -8.338 548 2HD LYS 70 2HD LYS 70 -13.637 -1.930 -8.816 549 1HE LYS 70 1HE LYS 70 -14.769 -1.963 -6.691 550 2HE LYS 70 2HE LYS 70 -13.636 -0.794 -6.012 551 1HZ LYS 70 1HZ LYS 70 -15.632 -0.216 -8.126 552 2HZ LYS 70 2HZ LYS 70 -15.633 0.337 -6.580 553 3HZ LYS 70 3HZ LYS 70 -14.492 0.842 -7.645 554 H THR 71 H THR 71 -8.149 -3.131 -9.598 555 HA THR 71 HA THR 71 -8.340 -5.155 -11.575 556 HB THR 71 HB THR 71 -5.830 -3.614 -10.753 557 HG1 THR 71 1HG THR 71 -7.483 -2.158 -11.165 558 1HG2 THR 71 1HG2 THR 71 -6.691 -4.765 -13.441 559 2HG2 THR 71 2HG2 THR 71 -5.217 -3.845 -13.116 560 3HG2 THR 71 3HG2 THR 71 -5.425 -5.436 -12.387 561 H ILE 72 H ILE 72 -6.267 -4.874 -8.640 562 HA ILE 72 HA ILE 72 -4.865 -7.341 -8.965 563 HB ILE 72 HB ILE 72 -5.458 -5.421 -6.661 564 1HG1 ILE 72 1HG1 ILE 72 -2.765 -6.191 -7.895 565 2HG1 ILE 72 2HG1 ILE 72 -3.769 -4.932 -8.596 566 1HG2 ILE 72 1HG2 ILE 72 -3.879 -6.628 -5.242 567 2HG2 ILE 72 2HG2 ILE 72 -5.187 -7.723 -5.675 568 3HG2 ILE 72 3HG2 ILE 72 -3.628 -7.827 -6.512 569 1HD1 ILE 72 1HD1 ILE 72 -2.316 -3.745 -7.165 570 2HD1 ILE 72 2HD1 ILE 72 -3.831 -3.801 -6.294 571 3HD1 ILE 72 3HD1 ILE 72 -2.507 -4.904 -5.841 572 H ARG 73 H ARG 73 -7.729 -6.400 -7.034 573 HA ARG 73 HA ARG 73 -8.279 -8.903 -5.879 574 1HB ARG 73 1HB ARG 73 -9.263 -6.296 -5.690 575 2HB ARG 73 2HB ARG 73 -10.643 -7.137 -6.320 576 1HG ARG 73 1HG ARG 73 -9.073 -8.213 -3.909 577 2HG ARG 73 2HG ARG 73 -10.200 -6.887 -3.747 578 1HD ARG 73 1HD ARG 73 -11.555 -8.620 -3.168 579 2HD ARG 73 2HD ARG 73 -11.958 -8.403 -4.867 580 HE ARG 73 HE ARG 73 -10.924 -10.430 -5.412 581 1HH1 ARG 73 2HH2 ARG 73 -9.689 -9.823 -2.197 582 2HH1 ARG 73 1HH2 ARG 73 -9.899 -11.432 -1.627 583 1HH2 ARG 73 2HH1 ARG 73 -11.244 -12.675 -4.639 584 2HH2 ARG 73 1HH1 ARG 73 -10.778 -13.079 -3.039 585 H ALA 74 H ALA 74 -9.054 -7.732 -9.085 586 HA ALA 74 HA ALA 74 -11.088 -9.750 -9.635 587 1HB ALA 74 1HB ALA 74 -11.095 -8.734 -11.866 588 2HB ALA 74 2HB ALA 74 -11.247 -7.502 -10.607 589 3HB ALA 74 3HB ALA 74 -9.688 -7.735 -11.435 590 H ASP 75 H ASP 75 -7.657 -9.936 -9.465 591 HA ASP 75 HA ASP 75 -7.423 -11.651 -11.883 592 1HB ASP 75 1HB ASP 75 -5.836 -9.801 -11.673 593 2HB ASP 75 2HB ASP 75 -5.302 -10.436 -10.101 594 H GLY 76 H GLY 76 -6.895 -13.800 -11.753 595 1HA GLY 76 1HA GLY 76 -7.656 -15.233 -9.485 596 2HA GLY 76 2HA GLY 76 -6.792 -15.883 -10.880 597 H ALA 77 H ALA 77 -4.563 -13.734 -10.000 598 HA ALA 77 HA ALA 77 -3.349 -15.391 -7.845 599 1HB ALA 77 1HB ALA 77 -1.917 -14.042 -10.158 600 2HB ALA 77 2HB ALA 77 -1.180 -15.004 -8.858 601 3HB ALA 77 3HB ALA 77 -2.268 -15.781 -10.023 602 H MET 78 H MET 78 -3.341 -12.102 -9.381 603 HA MET 78 HA MET 78 -1.726 -11.018 -7.331 604 1HB MET 78 1HB MET 78 -3.745 -9.401 -8.918 605 2HB MET 78 2HB MET 78 -2.352 -8.793 -8.042 606 1HG MET 78 1HG MET 78 -0.826 -10.077 -9.505 607 2HG MET 78 2HG MET 78 -2.193 -10.611 -10.476 608 1HE MET 78 1HE MET 78 -4.055 -8.123 -10.969 609 2HE MET 78 2HE MET 78 -3.288 -7.433 -12.414 610 3HE MET 78 3HE MET 78 -3.432 -9.191 -12.248 611 H SER 79 H SER 79 -5.059 -11.625 -7.313 612 HA SER 79 HA SER 79 -6.005 -9.905 -5.339 613 1HB SER 79 1HB SER 79 -7.373 -11.307 -6.840 614 2HB SER 79 2HB SER 79 -6.914 -12.752 -5.904 615 HG SER 79 HG SER 79 -7.800 -11.579 -4.068 616 H ALA 80 H ALA 80 -3.667 -12.359 -4.730 617 HA ALA 80 HA ALA 80 -4.349 -12.827 -1.924 618 1HB ALA 80 1HB ALA 80 -2.042 -13.741 -1.829 619 2HB ALA 80 2HB ALA 80 -2.971 -14.439 -3.165 620 3HB ALA 80 3HB ALA 80 -1.750 -13.183 -3.487 621 H LEU 81 H LEU 81 -2.888 -10.196 -3.708 622 HA LEU 81 HA LEU 81 -0.927 -9.453 -1.811 623 1HB LEU 81 1HB LEU 81 -2.282 -8.041 -4.119 624 2HB LEU 81 2HB LEU 81 -1.163 -7.184 -3.093 625 HG LEU 81 HG LEU 81 -0.420 -9.759 -4.536 626 1HD1 LEU 81 1HD1 LEU 81 0.496 -8.557 -6.323 627 2HD1 LEU 81 2HD1 LEU 81 -1.028 -7.690 -6.036 628 3HD1 LEU 81 3HD1 LEU 81 0.515 -7.032 -5.466 629 1HD2 LEU 81 1HD2 LEU 81 1.274 -7.605 -3.160 630 2HD2 LEU 81 2HD2 LEU 81 1.063 -9.279 -2.627 631 3HD2 LEU 81 3HD2 LEU 81 1.913 -8.935 -4.135 632 HA PRO 82 HA PRO 82 -3.577 -6.905 0.913 633 1HB PRO 82 1HB PRO 82 -1.638 -5.991 2.579 634 2HB PRO 82 2HB PRO 82 -2.359 -7.621 2.726 635 1HG PRO 82 1HG PRO 82 0.272 -6.841 1.480 636 2HG PRO 82 2HG PRO 82 -0.095 -8.249 2.515 637 1HD PRO 82 1HD PRO 82 0.041 -8.324 -0.257 638 2HD PRO 82 2HD PRO 82 -0.945 -9.460 0.712 639 H VAL 83 H VAL 83 -4.196 -5.198 -0.370 640 HA VAL 83 HA VAL 83 -2.170 -3.210 -1.172 641 HB VAL 83 HB VAL 83 -3.717 -2.246 -2.607 642 1HG1 VAL 83 1HG1 VAL 83 -4.543 -3.977 -4.082 643 2HG1 VAL 83 2HG1 VAL 83 -2.974 -4.492 -3.457 644 3HG1 VAL 83 3HG1 VAL 83 -4.466 -5.197 -2.807 645 1HG2 VAL 83 1HG2 VAL 83 -6.086 -2.853 -2.722 646 2HG2 VAL 83 2HG2 VAL 83 -5.923 -3.798 -1.228 647 3HG2 VAL 83 3HG2 VAL 83 -5.673 -2.026 -1.234 648 H LEU 84 H LEU 84 -2.173 -1.139 -0.241 649 HA LEU 84 HA LEU 84 -3.941 -0.763 2.133 650 1HB LEU 84 1HB LEU 84 -1.943 -1.899 2.911 651 2HB LEU 84 2HB LEU 84 -0.901 -0.742 2.080 652 HG LEU 84 HG LEU 84 -1.521 1.038 3.582 653 1HD1 LEU 84 1HD1 LEU 84 -3.848 0.725 3.974 654 2HD1 LEU 84 2HD1 LEU 84 -3.590 -0.884 4.706 655 3HD1 LEU 84 3HD1 LEU 84 -3.058 0.604 5.534 656 1HD2 LEU 84 1HD2 LEU 84 -1.030 -1.516 5.169 657 2HD2 LEU 84 2HD2 LEU 84 0.210 -0.556 4.339 658 3HD2 LEU 84 3HD2 LEU 84 -0.672 0.141 5.700 659 H MET 85 H MET 85 -4.927 1.112 1.842 660 HA MET 85 HA MET 85 -3.908 3.061 -0.101 661 1HB MET 85 1HB MET 85 -6.232 3.495 1.797 662 2HB MET 85 2HB MET 85 -5.963 4.263 0.261 663 1HG MET 85 1HG MET 85 -6.485 1.273 0.388 664 2HG MET 85 2HG MET 85 -7.788 2.405 0.633 665 1HE MET 85 1HE MET 85 -5.469 2.445 -3.371 666 2HE MET 85 2HE MET 85 -4.987 3.449 -1.997 667 3HE MET 85 3HE MET 85 -4.835 1.672 -1.904 668 H VAL 86 H VAL 86 -2.518 4.711 0.467 669 HA VAL 86 HA VAL 86 -2.485 5.754 3.242 670 HB VAL 86 HB VAL 86 -0.055 4.891 1.594 671 1HG1 VAL 86 1HG1 VAL 86 -0.215 6.138 4.374 672 2HG1 VAL 86 2HG1 VAL 86 1.255 5.518 3.589 673 3HG1 VAL 86 3HG1 VAL 86 0.423 6.911 2.903 674 1HG2 VAL 86 1HG2 VAL 86 -1.236 3.721 4.151 675 2HG2 VAL 86 2HG2 VAL 86 -1.055 2.942 2.572 676 3HG2 VAL 86 3HG2 VAL 86 0.376 3.344 3.526 677 H THR 87 H THR 87 -3.507 7.658 2.669 678 HA THR 87 HA THR 87 -2.320 9.279 0.486 679 HB THR 87 HB THR 87 -4.083 7.880 -0.470 680 HG1 THR 87 1HG THR 87 -4.118 9.776 -1.457 681 1HG2 THR 87 1HG2 THR 87 -6.454 8.148 0.239 682 2HG2 THR 87 2HG2 THR 87 -5.455 7.388 1.484 683 3HG2 THR 87 3HG2 THR 87 -5.916 9.100 1.632 684 H ALA 88 H ALA 88 -3.941 11.356 0.470 685 HA ALA 88 HA ALA 88 -3.880 12.447 3.231 686 1HB ALA 88 1HB ALA 88 -3.675 14.662 2.198 687 2HB ALA 88 2HB ALA 88 -2.380 13.594 1.620 688 3HB ALA 88 3HB ALA 88 -3.779 13.935 0.578 689 H GLU 89 H GLU 89 -6.039 11.542 0.638 690 HA GLU 89 HA GLU 89 -8.201 13.253 1.571 691 1HB GLU 89 1HB GLU 89 -7.728 11.162 -0.573 692 2HB GLU 89 2HB GLU 89 -9.333 11.876 -0.307 693 1HG GLU 89 1HG GLU 89 -6.806 13.518 -0.814 694 2HG GLU 89 2HG GLU 89 -7.846 12.936 -2.107 695 H ALA 90 H ALA 90 -9.334 12.656 3.368 696 HA ALA 90 HA ALA 90 -9.621 9.866 4.160 697 1HB ALA 90 1HB ALA 90 -11.268 10.708 5.779 698 2HB ALA 90 2HB ALA 90 -9.746 11.609 5.857 699 3HB ALA 90 3HB ALA 90 -11.161 12.338 5.083 700 H LYS 91 H LYS 91 -12.283 12.118 3.395 701 HA LYS 91 HA LYS 91 -14.287 11.833 2.368 702 1HB LYS 91 1HB LYS 91 -12.780 11.990 0.403 703 2HB LYS 91 2HB LYS 91 -12.626 10.246 0.387 704 1HG LYS 91 1HG LYS 91 -14.184 10.713 -1.283 705 2HG LYS 91 2HG LYS 91 -15.176 10.124 0.051 706 1HD LYS 91 1HD LYS 91 -15.772 12.477 0.628 707 2HD LYS 91 2HD LYS 91 -14.662 13.041 -0.640 708 1HE LYS 91 1HE LYS 91 -16.095 11.487 -2.215 709 2HE LYS 91 2HE LYS 91 -17.320 11.600 -0.943 710 1HZ LYS 91 1HZ LYS 91 -17.603 13.250 -2.632 711 2HZ LYS 91 2HZ LYS 91 -17.250 14.008 -1.221 712 3HZ LYS 91 3HZ LYS 91 -16.077 13.853 -2.388 713 H LYS 92 H LYS 92 -15.634 10.668 3.785 714 HA LYS 92 HA LYS 92 -15.378 7.977 4.449 715 1HB LYS 92 1HB LYS 92 -17.691 9.894 4.389 716 2HB LYS 92 2HB LYS 92 -18.079 8.173 4.494 717 1HG LYS 92 1HG LYS 92 -16.610 7.938 6.451 718 2HG LYS 92 2HG LYS 92 -16.239 9.674 6.394 719 1HD LYS 92 1HD LYS 92 -18.628 10.224 6.706 720 2HD LYS 92 2HD LYS 92 -19.058 8.513 6.675 721 1HE LYS 92 1HE LYS 92 -17.086 9.704 8.664 722 2HE LYS 92 2HE LYS 92 -18.820 9.581 9.002 723 1HZ LYS 92 1HZ LYS 92 -18.719 7.298 9.062 724 2HZ LYS 92 2HZ LYS 92 -17.374 7.175 8.154 725 3HZ LYS 92 3HZ LYS 92 -17.226 7.677 9.695 726 H GLU 93 H GLU 93 -17.211 9.263 1.637 727 HA GLU 93 HA GLU 93 -18.148 6.891 0.565 728 1HB GLU 93 1HB GLU 93 -18.206 9.453 -0.197 729 2HB GLU 93 2HB GLU 93 -16.967 8.905 -1.324 730 1HG GLU 93 1HG GLU 93 -18.487 7.177 -2.188 731 2HG GLU 93 2HG GLU 93 -19.680 7.543 -0.940 732 H ASN 94 H ASN 94 -14.775 8.003 0.519 733 HA ASN 94 HA ASN 94 -13.903 5.905 -1.307 734 1HB ASN 94 1HB ASN 94 -12.335 7.968 0.282 735 2HB ASN 94 2HB ASN 94 -11.631 6.762 -0.765 736 1HD2 ASN 94 1HD2 ASN 94 -10.882 9.139 -1.609 737 2HD2 ASN 94 2HD2 ASN 94 -11.767 9.655 -2.997 738 H ILE 95 H ILE 95 -13.874 6.575 2.239 739 HA ILE 95 HA ILE 95 -12.441 4.211 2.974 740 HB ILE 95 HB ILE 95 -14.473 5.894 4.474 741 1HG1 ILE 95 1HG1 ILE 95 -12.497 6.013 6.101 742 2HG1 ILE 95 2HG1 ILE 95 -11.525 5.209 4.864 743 1HG2 ILE 95 1HG2 ILE 95 -14.011 4.413 6.485 744 2HG2 ILE 95 2HG2 ILE 95 -15.031 3.708 5.248 745 3HG2 ILE 95 3HG2 ILE 95 -13.317 3.230 5.357 746 1HD1 ILE 95 1HD1 ILE 95 -12.988 7.867 4.538 747 2HD1 ILE 95 2HD1 ILE 95 -11.265 7.693 4.906 748 3HD1 ILE 95 3HD1 ILE 95 -11.887 7.108 3.355 749 H ILE 96 H ILE 96 -16.080 4.646 2.527 750 HA ILE 96 HA ILE 96 -16.610 1.919 2.559 751 HB ILE 96 HB ILE 96 -18.010 4.015 1.009 752 1HG1 ILE 96 1HG1 ILE 96 -19.125 3.306 3.649 753 2HG1 ILE 96 2HG1 ILE 96 -17.626 4.180 3.757 754 1HG2 ILE 96 1HG2 ILE 96 -18.821 1.957 0.269 755 2HG2 ILE 96 2HG2 ILE 96 -19.003 1.332 1.928 756 3HG2 ILE 96 3HG2 ILE 96 -20.040 2.660 1.328 757 1HD1 ILE 96 1HD1 ILE 96 -18.564 5.890 2.227 758 2HD1 ILE 96 2HD1 ILE 96 -20.128 5.074 2.350 759 3HD1 ILE 96 3HD1 ILE 96 -19.313 5.758 3.807 760 H ALA 97 H ALA 97 -15.678 3.841 -0.408 761 HA ALA 97 HA ALA 97 -15.923 1.650 -2.138 762 1HB ALA 97 1HB ALA 97 -14.051 4.026 -2.241 763 2HB ALA 97 2HB ALA 97 -14.168 2.826 -3.537 764 3HB ALA 97 3HB ALA 97 -15.576 3.803 -3.092 765 H ALA 98 H ALA 98 -13.039 2.508 -0.171 766 HA ALA 98 HA ALA 98 -11.388 0.342 -1.045 767 1HB ALA 98 1HB ALA 98 -10.513 0.571 1.464 768 2HB ALA 98 2HB ALA 98 -10.166 1.799 0.265 769 3HB ALA 98 3HB ALA 98 -11.500 2.048 1.438 770 H ALA 99 H ALA 99 -13.595 0.531 1.838 771 HA ALA 99 HA ALA 99 -13.033 -2.155 2.610 772 1HB ALA 99 1HB ALA 99 -15.455 -0.382 3.177 773 2HB ALA 99 2HB ALA 99 -14.973 -1.815 4.102 774 3HB ALA 99 3HB ALA 99 -13.920 -0.397 4.089 775 H GLN 100 H GLN 100 -15.361 -0.849 0.323 776 HA GLN 100 HA GLN 100 -16.961 -3.223 -0.051 777 1HB GLN 100 1HB GLN 100 -16.463 -0.660 -1.616 778 2HB GLN 100 2HB GLN 100 -17.506 -1.919 -2.222 779 1HG GLN 100 1HG GLN 100 -17.945 -0.704 0.532 780 2HG GLN 100 2HG GLN 100 -18.557 0.047 -0.936 781 1HE2 GLN 100 1HE2 GLN 100 -19.599 -1.738 1.544 782 2HE2 GLN 100 2HE2 GLN 100 -21.003 -2.379 0.738 783 H ALA 101 H ALA 101 -14.293 -1.673 -2.018 784 HA ALA 101 HA ALA 101 -13.978 -3.791 -3.833 785 1HB ALA 101 1HB ALA 101 -11.838 -2.696 -4.306 786 2HB ALA 101 2HB ALA 101 -13.122 -1.488 -4.127 787 3HB ALA 101 3HB ALA 101 -11.973 -1.741 -2.807 788 H GLY 102 H GLY 102 -12.834 -3.434 -0.536 789 1HA GLY 102 1HA GLY 102 -12.298 -5.292 0.835 790 2HA GLY 102 2HA GLY 102 -11.818 -6.226 -0.590 791 H ALA 103 H ALA 103 -10.803 -2.868 0.191 792 HA ALA 103 HA ALA 103 -8.016 -3.478 -0.234 793 1HB ALA 103 1HB ALA 103 -8.867 -1.148 1.475 794 2HB ALA 103 2HB ALA 103 -7.590 -1.262 0.239 795 3HB ALA 103 3HB ALA 103 -9.293 -1.130 -0.237 796 H SER 104 H SER 104 -6.327 -3.762 1.343 797 HA SER 104 HA SER 104 -7.352 -5.229 3.608 798 1HB SER 104 1HB SER 104 -5.244 -6.085 3.807 799 2HB SER 104 2HB SER 104 -5.417 -5.851 2.094 800 HG SER 104 HG SER 104 -4.222 -3.906 2.273 801 H GLY 105 H GLY 105 -6.591 -1.896 3.124 802 1HA GLY 105 1HA GLY 105 -7.599 -1.176 5.598 803 2HA GLY 105 2HA GLY 105 -5.834 -1.139 5.769 804 H TYR 106 H TYR 106 -7.176 1.204 6.074 805 HA TYR 106 HA TYR 106 -6.265 2.790 3.752 806 1HB TYR 106 1HB TYR 106 -8.815 2.361 3.950 807 2HB TYR 106 2HB TYR 106 -8.778 3.394 5.361 808 HD1 TYR 106 1HD TYR 106 -6.999 5.740 4.304 809 HD2 TYR 106 2HD TYR 106 -10.192 3.467 2.496 810 HE1 TYR 106 1HE TYR 106 -7.480 7.603 2.823 811 HE2 TYR 106 2HE TYR 106 -10.683 5.393 1.028 812 HH TYR 106 HH TYR 106 -9.057 8.507 1.260 813 H VAL 107 H VAL 107 -4.986 4.471 4.391 814 HA VAL 107 HA VAL 107 -4.951 5.412 7.206 815 HB VAL 107 HB VAL 107 -2.666 4.931 5.243 816 1HG1 VAL 107 1HG1 VAL 107 -1.190 5.619 7.123 817 2HG1 VAL 107 2HG1 VAL 107 -2.181 6.926 6.477 818 3HG1 VAL 107 3HG1 VAL 107 -2.645 6.154 8.010 819 1HG2 VAL 107 1HG2 VAL 107 -1.774 3.343 6.878 820 2HG2 VAL 107 2HG2 VAL 107 -3.167 3.628 7.942 821 3HG2 VAL 107 3HG2 VAL 107 -3.375 2.837 6.350 822 H VAL 108 H VAL 108 -4.905 7.684 7.357 823 HA VAL 108 HA VAL 108 -4.752 9.239 4.847 824 HB VAL 108 HB VAL 108 -6.407 10.148 7.214 825 1HG1 VAL 108 1HG1 VAL 108 -6.460 10.781 4.226 826 2HG1 VAL 108 2HG1 VAL 108 -7.502 11.520 5.452 827 3HG1 VAL 108 3HG1 VAL 108 -5.769 11.814 5.497 828 1HG2 VAL 108 1HG2 VAL 108 -7.482 8.035 6.599 829 2HG2 VAL 108 2HG2 VAL 108 -8.467 9.403 6.110 830 3HG2 VAL 108 3HG2 VAL 108 -7.513 8.533 4.887 831 H LYS 109 H LYS 109 -3.381 11.083 5.088 832 HA LYS 109 HA LYS 109 -1.599 11.241 7.328 833 1HB LYS 109 1HB LYS 109 -0.877 13.393 6.408 834 2HB LYS 109 2HB LYS 109 -1.010 12.156 5.168 835 1HG LYS 109 1HG LYS 109 -2.155 13.525 3.972 836 2HG LYS 109 2HG LYS 109 -3.523 13.401 5.084 837 1HD LYS 109 1HD LYS 109 -1.312 15.486 5.238 838 2HD LYS 109 2HD LYS 109 -2.861 15.657 4.401 839 1HE LYS 109 1HE LYS 109 -4.074 15.298 6.529 840 2HE LYS 109 2HE LYS 109 -2.521 15.282 7.389 841 1HZ LYS 109 1HZ LYS 109 -3.441 17.534 5.712 842 2HZ LYS 109 2HZ LYS 109 -3.602 17.471 7.367 843 3HZ LYS 109 3HZ LYS 109 -2.121 17.514 6.650 844 HA PRO 110 HA PRO 110 -0.479 12.717 8.777 845 1HB PRO 110 1HB PRO 110 -0.334 12.849 11.500 846 2HB PRO 110 2HB PRO 110 -0.515 14.294 10.468 847 1HG PRO 110 1HG PRO 110 -2.705 12.809 11.935 848 2HG PRO 110 2HG PRO 110 -2.373 14.566 11.904 849 1HD PRO 110 1HD PRO 110 -4.222 13.396 10.261 850 2HD PRO 110 2HD PRO 110 -3.228 14.777 9.716 851 H PHE 111 H PHE 111 0.572 10.762 8.961 852 HA PHE 111 HA PHE 111 -0.526 8.670 10.725 853 1HB PHE 111 1HB PHE 111 -0.455 7.000 9.040 854 2HB PHE 111 2HB PHE 111 -1.520 8.278 8.494 855 HD1 PHE 111 1HD PHE 111 -1.005 9.499 6.432 856 HD2 PHE 111 2HD PHE 111 1.694 6.537 7.971 857 HE1 PHE 111 1HE PHE 111 0.305 9.645 4.351 858 HE2 PHE 111 2HE PHE 111 2.988 6.645 5.857 859 HZ PHE 111 HZ PHE 111 2.355 8.248 4.084 860 H THR 112 H THR 112 1.008 7.031 11.252 861 HA THR 112 HA THR 112 3.831 7.538 10.665 862 HB THR 112 HB THR 112 4.080 7.531 13.274 863 HG1 THR 112 1HG THR 112 2.460 8.180 14.423 864 1HG2 THR 112 1HG2 THR 112 4.755 9.318 11.773 865 2HG2 THR 112 2HG2 THR 112 3.147 10.042 11.913 866 3HG2 THR 112 3HG2 THR 112 4.186 9.880 13.354 867 H ALA 113 H ALA 113 5.087 5.996 12.438 868 HA ALA 113 HA ALA 113 4.602 3.403 11.472 869 1HB ALA 113 1HB ALA 113 6.332 2.703 12.969 870 2HB ALA 113 2HB ALA 113 6.803 4.227 12.216 871 3HB ALA 113 3HB ALA 113 6.231 4.203 13.901 872 H ALA 114 H ALA 114 3.435 5.112 14.330 873 HA ALA 114 HA ALA 114 2.346 2.987 15.803 874 1HB ALA 114 1HB ALA 114 2.474 5.309 16.606 875 2HB ALA 114 2HB ALA 114 1.247 5.809 15.412 876 3HB ALA 114 3HB ALA 114 0.817 4.693 16.719 877 H THR 115 H THR 115 1.092 4.324 12.734 878 HA THR 115 HA THR 115 -1.269 2.533 13.036 879 HB THR 115 HB THR 115 -1.491 5.019 12.281 880 HG1 THR 115 1HG THR 115 -3.217 3.704 12.288 881 1HG2 THR 115 1HG2 THR 115 -1.612 5.324 9.883 882 2HG2 THR 115 2HG2 THR 115 0.064 5.025 10.364 883 3HG2 THR 115 3HG2 THR 115 -0.885 3.743 9.578 884 H LEU 116 H LEU 116 1.770 2.991 11.257 885 HA LEU 116 HA LEU 116 1.415 1.162 9.156 886 1HB LEU 116 1HB LEU 116 3.373 2.734 9.659 887 2HB LEU 116 2HB LEU 116 3.953 1.518 10.791 888 HG LEU 116 HG LEU 116 5.185 1.508 8.737 889 1HD1 LEU 116 1HD1 LEU 116 5.265 -0.814 8.278 890 2HD1 LEU 116 2HD1 LEU 116 4.884 -0.630 9.994 891 3HD1 LEU 116 3HD1 LEU 116 3.612 -1.065 8.831 892 1HD2 LEU 116 1HD2 LEU 116 4.251 0.829 6.589 893 2HD2 LEU 116 2HD2 LEU 116 2.631 0.733 7.285 894 3HD2 LEU 116 3HD2 LEU 116 3.463 2.298 7.183 895 H GLU 117 H GLU 117 2.655 0.562 12.478 896 HA GLU 117 HA GLU 117 2.871 -2.247 12.307 897 1HB GLU 117 1HB GLU 117 3.098 -2.191 14.675 898 2HB GLU 117 2HB GLU 117 3.909 -0.785 14.034 899 1HG GLU 117 1HG GLU 117 2.057 0.658 14.713 900 2HG GLU 117 2HG GLU 117 1.145 -0.735 15.285 901 H GLU 118 H GLU 118 0.054 -0.182 13.025 902 HA GLU 118 HA GLU 118 -1.497 -2.382 14.075 903 1HB GLU 118 1HB GLU 118 -1.874 0.009 14.691 904 2HB GLU 118 2HB GLU 118 -2.458 0.318 13.041 905 1HG GLU 118 1HG GLU 118 -4.206 -1.448 13.382 906 2HG GLU 118 2HG GLU 118 -3.647 -1.688 15.026 907 H LYS 119 H LYS 119 -1.222 -0.761 10.894 908 HA LYS 119 HA LYS 119 -3.332 -2.328 9.652 909 1HB LYS 119 1HB LYS 119 -0.957 -0.922 8.395 910 2HB LYS 119 2HB LYS 119 -2.341 -1.579 7.514 911 1HG LYS 119 1HG LYS 119 -2.420 0.717 9.522 912 2HG LYS 119 2HG LYS 119 -2.446 0.869 7.777 913 1HD LYS 119 1HD LYS 119 -4.599 -0.367 7.718 914 2HD LYS 119 2HD LYS 119 -4.583 -0.483 9.485 915 1HE LYS 119 1HE LYS 119 -4.585 2.116 7.909 916 2HE LYS 119 2HE LYS 119 -6.015 1.360 8.582 917 1HZ LYS 119 1HZ LYS 119 -3.753 2.324 10.260 918 2HZ LYS 119 2HZ LYS 119 -5.152 3.111 9.972 919 3HZ LYS 119 3HZ LYS 119 -5.211 1.710 10.769 920 H LEU 120 H LEU 120 0.181 -2.801 10.072 921 HA LEU 120 HA LEU 120 0.404 -5.280 8.650 922 1HB LEU 120 1HB LEU 120 1.889 -4.298 11.127 923 2HB LEU 120 2HB LEU 120 2.236 -5.792 10.301 924 HG LEU 120 HG LEU 120 2.554 -3.028 9.127 925 1HD1 LEU 120 1HD1 LEU 120 4.611 -5.068 10.025 926 2HD1 LEU 120 2HD1 LEU 120 4.969 -3.518 9.225 927 3HD1 LEU 120 3HD1 LEU 120 4.229 -3.543 10.832 928 1HD2 LEU 120 1HD2 LEU 120 2.003 -4.529 7.326 929 2HD2 LEU 120 2HD2 LEU 120 3.727 -4.155 7.251 930 3HD2 LEU 120 3HD2 LEU 120 3.191 -5.721 7.899 931 H ASN 121 H ASN 121 -0.101 -4.744 12.187 932 HA ASN 121 HA ASN 121 -0.656 -7.357 12.858 933 1HB ASN 121 1HB ASN 121 -0.334 -5.524 14.470 934 2HB ASN 121 2HB ASN 121 -1.900 -4.838 14.031 935 1HD2 ASN 121 1HD2 ASN 121 -3.554 -5.392 15.467 936 2HD2 ASN 121 2HD2 ASN 121 -3.482 -6.823 16.475 937 H LYS 122 H LYS 122 -2.981 -4.983 11.566 938 HA LYS 122 HA LYS 122 -5.315 -6.602 11.745 939 1HB LYS 122 1HB LYS 122 -4.549 -4.175 10.181 940 2HB LYS 122 2HB LYS 122 -5.689 -5.234 9.374 941 1HG LYS 122 1HG LYS 122 -7.235 -4.065 10.467 942 2HG LYS 122 2HG LYS 122 -6.916 -5.206 11.746 943 1HD LYS 122 1HD LYS 122 -6.893 -3.201 12.895 944 2HD LYS 122 2HD LYS 122 -5.186 -3.474 12.608 945 1HE LYS 122 1HE LYS 122 -5.505 -1.195 11.999 946 2HE LYS 122 2HE LYS 122 -5.491 -2.047 10.454 947 1HZ LYS 122 1HZ LYS 122 -7.942 -1.922 10.483 948 2HZ LYS 122 2HZ LYS 122 -7.886 -1.178 11.966 949 3HZ LYS 122 3HZ LYS 122 -7.319 -0.416 10.645 950 H ILE 123 H ILE 123 -3.142 -6.258 8.827 951 HA ILE 123 HA ILE 123 -4.630 -8.413 7.588 952 HB ILE 123 HB ILE 123 -2.900 -8.313 5.805 953 1HG1 ILE 123 1HG1 ILE 123 -1.554 -6.424 7.734 954 2HG1 ILE 123 2HG1 ILE 123 -0.859 -7.742 6.828 955 1HG2 ILE 123 1HG2 ILE 123 -3.648 -6.168 5.045 956 2HG2 ILE 123 2HG2 ILE 123 -4.972 -6.997 5.862 957 3HG2 ILE 123 3HG2 ILE 123 -4.117 -5.665 6.682 958 1HD1 ILE 123 1HD1 ILE 123 -1.813 -5.080 5.653 959 2HD1 ILE 123 2HD1 ILE 123 -0.185 -5.480 6.126 960 3HD1 ILE 123 3HD1 ILE 123 -0.946 -6.388 4.790 961 H PHE 124 H PHE 124 -1.683 -8.396 9.522 962 HA PHE 124 HA PHE 124 -0.792 -11.034 8.996 963 1HB PHE 124 1HB PHE 124 -0.782 -9.297 11.479 964 2HB PHE 124 2HB PHE 124 -0.014 -10.868 11.407 965 HD1 PHE 124 1HD PHE 124 0.731 -9.785 8.203 966 HD2 PHE 124 2HD PHE 124 1.666 -8.783 12.284 967 HE1 PHE 124 1HE PHE 124 2.808 -8.746 7.446 968 HE2 PHE 124 2HE PHE 124 3.773 -7.747 11.526 969 HZ PHE 124 HZ PHE 124 4.345 -7.718 9.084 970 H GLU 125 H GLU 125 -3.135 -9.828 11.488 971 HA GLU 125 HA GLU 125 -3.780 -12.536 12.218 972 1HB GLU 125 1HB GLU 125 -5.123 -9.826 12.641 973 2HB GLU 125 2HB GLU 125 -5.769 -11.279 13.365 974 1HG GLU 125 1HG GLU 125 -2.890 -10.421 13.874 975 2HG GLU 125 2HG GLU 125 -4.230 -9.710 14.758 976 H LYS 126 H LYS 126 -5.323 -10.114 10.194 977 HA LYS 126 HA LYS 126 -7.786 -11.579 9.904 978 1HB LYS 126 1HB LYS 126 -7.684 -9.124 9.659 979 2HB LYS 126 2HB LYS 126 -6.702 -9.297 8.200 980 1HG LYS 126 1HG LYS 126 -8.628 -10.607 7.173 981 2HG LYS 126 2HG LYS 126 -9.597 -10.189 8.589 982 1HD LYS 126 1HD LYS 126 -9.543 -7.856 8.041 983 2HD LYS 126 2HD LYS 126 -8.200 -8.065 6.914 984 1HE LYS 126 1HE LYS 126 -10.230 -7.701 5.655 985 2HE LYS 126 2HE LYS 126 -9.613 -9.334 5.357 986 1HZ LYS 126 1HZ LYS 126 -12.022 -9.194 5.702 987 2HZ LYS 126 2HZ LYS 126 -11.316 -10.213 6.775 988 3HZ LYS 126 3HZ LYS 126 -11.788 -8.709 7.254 989 H LEU 127 H LEU 127 -5.515 -10.738 7.224 990 HA LEU 127 HA LEU 127 -6.554 -12.802 5.566 991 1HB LEU 127 1HB LEU 127 -3.844 -11.548 5.207 992 2HB LEU 127 2HB LEU 127 -4.947 -12.140 3.978 993 HG LEU 127 HG LEU 127 -5.121 -9.521 5.543 994 1HD1 LEU 127 1HD1 LEU 127 -3.580 -9.547 3.607 995 2HD1 LEU 127 2HD1 LEU 127 -4.888 -10.110 2.561 996 3HD1 LEU 127 3HD1 LEU 127 -4.974 -8.505 3.308 997 1HD2 LEU 127 1HD2 LEU 127 -7.178 -9.027 4.302 998 2HD2 LEU 127 2HD2 LEU 127 -7.156 -10.664 3.591 999 3HD2 LEU 127 3HD2 LEU 127 -7.405 -10.454 5.325 1000 H GLY 128 H GLY 128 -4.022 -12.756 7.994 1001 1HA GLY 128 1HA GLY 128 -2.787 -14.610 8.816 1002 2HA GLY 128 2HA GLY 128 -3.170 -15.526 7.361 1003 H MET 129 H MET 129 -1.986 -12.116 7.478 1004 HA MET 129 HA MET 129 -0.098 -12.825 5.316 1005 1HB MET 129 2HB MET 129 -0.683 -10.234 6.738 1006 2HB MET 129 3HB MET 129 0.778 -10.419 5.764 1007 1HG MET 129 2HG MET 129 -2.082 -10.578 4.849 1008 2HG MET 129 3HG MET 129 -0.902 -9.344 4.484 1009 1HE MET 129 1HE MET 129 -1.714 -13.230 3.978 1010 2HE MET 129 2HE MET 129 -2.806 -12.151 3.099 1011 3HE MET 129 3HE MET 129 -1.698 -13.196 2.198 Start of MODEL 26 1 1H MET 1 H MET 1 23.615 -17.878 3.990 2 2H MET 1 2HN MET 1 22.627 -18.015 2.681 3 3H MET 1 3HN MET 1 23.090 -16.537 3.188 4 HA MET 1 HA MET 1 21.434 -18.445 4.654 5 1HB MET 1 2HB MET 1 20.904 -16.546 6.177 6 2HB MET 1 3HB MET 1 22.518 -17.237 6.305 7 1HG MET 1 2HG MET 1 21.936 -14.664 4.804 8 2HG MET 1 3HG MET 1 22.357 -14.729 6.502 9 1HE MET 1 1HE MET 1 23.828 -13.086 4.000 10 2HE MET 1 2HE MET 1 24.051 -12.854 5.746 11 3HE MET 1 3HE MET 1 25.460 -13.139 4.703 12 H ALA 2 H ALA 2 21.245 -15.134 3.196 13 HA ALA 2 HA ALA 2 19.801 -14.059 2.061 14 1HB ALA 2 1HB ALA 2 20.042 -15.901 0.416 15 2HB ALA 2 2HB ALA 2 18.590 -16.670 1.106 16 3HB ALA 2 3HB ALA 2 18.479 -15.079 0.333 17 H ASP 3 H ASP 3 17.548 -13.510 1.674 18 HA ASP 3 HA ASP 3 15.936 -13.798 4.169 19 1HB ASP 3 1HB ASP 3 16.488 -11.476 2.277 20 2HB ASP 3 2HB ASP 3 15.007 -11.528 3.211 21 H LYS 4 H LYS 4 13.594 -13.615 3.768 22 HA LYS 4 HA LYS 4 12.413 -14.881 1.558 23 1HB LYS 4 1HB LYS 4 10.346 -13.594 2.190 24 2HB LYS 4 2HB LYS 4 11.089 -14.489 3.506 25 1HG LYS 4 1HG LYS 4 12.095 -12.438 4.403 26 2HG LYS 4 2HG LYS 4 11.428 -11.488 3.062 27 1HD LYS 4 1HD LYS 4 9.146 -12.028 3.785 28 2HD LYS 4 2HD LYS 4 9.758 -13.034 5.102 29 1HE LYS 4 1HE LYS 4 10.353 -10.053 4.790 30 2HE LYS 4 2HE LYS 4 9.033 -10.701 5.768 31 1HZ LYS 4 1HZ LYS 4 10.995 -10.219 7.092 32 2HZ LYS 4 2HZ LYS 4 10.627 -11.804 7.168 33 3HZ LYS 4 3HZ LYS 4 11.898 -11.270 6.245 34 H GLU 5 H GLU 5 13.694 -11.641 1.761 35 HA GLU 5 HA GLU 5 13.420 -9.740 0.556 36 1HB GLU 5 1HB GLU 5 14.196 -11.738 -1.591 37 2HB GLU 5 2HB GLU 5 14.095 -9.990 -1.836 38 1HG GLU 5 1HG GLU 5 15.653 -9.786 0.243 39 2HG GLU 5 2HG GLU 5 15.989 -11.501 -0.028 40 H LEU 6 H LEU 6 10.996 -10.583 1.240 41 HA LEU 6 HA LEU 6 9.064 -10.238 -0.918 42 1HB LEU 6 1HB LEU 6 8.297 -11.079 1.205 43 2HB LEU 6 2HB LEU 6 8.922 -9.682 2.083 44 HG LEU 6 HG LEU 6 7.081 -8.989 -0.165 45 1HD1 LEU 6 1HD1 LEU 6 5.932 -10.987 0.504 46 2HD1 LEU 6 2HD1 LEU 6 6.025 -10.536 2.222 47 3HD1 LEU 6 3HD1 LEU 6 5.032 -9.582 1.103 48 1HD2 LEU 6 1HD2 LEU 6 6.905 -8.214 2.772 49 2HD2 LEU 6 2HD2 LEU 6 7.949 -7.374 1.615 50 3HD2 LEU 6 3HD2 LEU 6 6.210 -7.380 1.363 51 H LYS 7 H LYS 7 8.872 -8.358 -2.096 52 HA LYS 7 HA LYS 7 10.420 -5.999 -1.132 53 1HB LYS 7 1HB LYS 7 10.883 -6.825 -3.420 54 2HB LYS 7 2HB LYS 7 9.201 -6.535 -3.877 55 1HG LYS 7 1HG LYS 7 9.606 -4.334 -4.232 56 2HG LYS 7 2HG LYS 7 10.294 -4.135 -2.635 57 1HD LYS 7 1HD LYS 7 11.909 -3.436 -4.170 58 2HD LYS 7 2HD LYS 7 12.499 -4.946 -3.463 59 1HE LYS 7 1HE LYS 7 11.975 -6.191 -5.464 60 2HE LYS 7 2HE LYS 7 10.998 -4.854 -6.109 61 1HZ LYS 7 1HZ LYS 7 13.003 -3.532 -6.261 62 2HZ LYS 7 2HZ LYS 7 13.948 -4.794 -5.781 63 3HZ LYS 7 3HZ LYS 7 13.105 -4.861 -7.190 64 H PHE 8 H PHE 8 9.345 -4.205 -0.432 65 HA PHE 8 HA PHE 8 6.372 -4.157 -0.484 66 1HB PHE 8 1HB PHE 8 8.553 -2.433 0.735 67 2HB PHE 8 2HB PHE 8 6.943 -1.783 0.471 68 HD1 PHE 8 1HD PHE 8 8.439 -4.968 1.936 69 HD2 PHE 8 2HD PHE 8 5.528 -1.803 2.289 70 HE1 PHE 8 1HE PHE 8 7.501 -6.043 3.951 71 HE2 PHE 8 2HE PHE 8 4.655 -2.861 4.367 72 HZ PHE 8 HZ PHE 8 5.606 -5.000 5.164 73 H LEU 9 H LEU 9 5.276 -2.954 -2.041 74 HA LEU 9 HA LEU 9 6.866 -1.100 -3.717 75 1HB LEU 9 1HB LEU 9 5.503 -2.873 -4.931 76 2HB LEU 9 2HB LEU 9 4.065 -2.193 -4.175 77 HG LEU 9 HG LEU 9 4.636 0.010 -5.268 78 1HD1 LEU 9 1HD1 LEU 9 6.165 -0.067 -7.257 79 2HD1 LEU 9 2HD1 LEU 9 6.993 -0.199 -5.719 80 3HD1 LEU 9 3HD1 LEU 9 6.743 -1.654 -6.711 81 1HD2 LEU 9 1HD2 LEU 9 4.231 -2.391 -7.090 82 2HD2 LEU 9 2HD2 LEU 9 2.963 -1.502 -6.215 83 3HD2 LEU 9 3HD2 LEU 9 3.862 -0.701 -7.513 84 H VAL 10 H VAL 10 6.364 1.026 -3.475 85 HA VAL 10 HA VAL 10 4.046 1.798 -1.786 86 HB VAL 10 HB VAL 10 6.741 3.150 -1.524 87 1HG1 VAL 10 1HG1 VAL 10 4.283 3.075 0.297 88 2HG1 VAL 10 2HG1 VAL 10 5.735 4.088 0.502 89 3HG1 VAL 10 3HG1 VAL 10 4.642 4.368 -0.856 90 1HG2 VAL 10 1HG2 VAL 10 7.055 2.069 0.672 91 2HG2 VAL 10 2HG2 VAL 10 5.692 0.981 0.338 92 3HG2 VAL 10 3HG2 VAL 10 7.169 0.913 -0.652 93 H VAL 11 H VAL 11 2.773 2.660 -3.384 94 HA VAL 11 HA VAL 11 4.015 4.563 -5.328 95 HB VAL 11 HB VAL 11 1.412 3.095 -5.818 96 1HG1 VAL 11 1HG1 VAL 11 1.849 5.085 -7.230 97 2HG1 VAL 11 2HG1 VAL 11 3.416 4.416 -7.701 98 3HG1 VAL 11 3HG1 VAL 11 1.915 3.593 -8.159 99 1HG2 VAL 11 1HG2 VAL 11 2.791 1.592 -7.315 100 2HG2 VAL 11 2HG2 VAL 11 4.223 2.163 -6.457 101 3HG2 VAL 11 3HG2 VAL 11 2.912 1.304 -5.590 102 H ASP 12 H ASP 12 3.766 5.923 -3.149 103 HA ASP 12 HA ASP 12 1.094 7.105 -2.983 104 1HB ASP 12 1HB ASP 12 2.089 8.599 -1.308 105 2HB ASP 12 2HB ASP 12 2.280 6.889 -0.890 106 H ASP 13 H ASP 13 0.619 9.138 -3.569 107 HA ASP 13 HA ASP 13 1.757 10.157 -5.980 108 1HB ASP 13 1HB ASP 13 -0.628 10.404 -5.388 109 2HB ASP 13 2HB ASP 13 -0.215 11.347 -3.969 110 H PHE 14 H PHE 14 1.599 11.495 -2.661 111 HA PHE 14 HA PHE 14 3.431 13.655 -3.379 112 1HB PHE 14 1HB PHE 14 1.421 14.038 -1.906 113 2HB PHE 14 2HB PHE 14 2.107 12.975 -0.707 114 HD1 PHE 14 1HD PHE 14 3.532 15.800 -2.826 115 HD2 PHE 14 2HD PHE 14 2.932 14.202 1.138 116 HE1 PHE 14 1HE PHE 14 4.868 17.644 -1.872 117 HE2 PHE 14 2HE PHE 14 4.261 16.077 2.077 118 HZ PHE 14 HZ PHE 14 5.201 17.819 0.571 119 H SER 15 H SER 15 5.226 12.259 -3.850 120 HA SER 15 HA SER 15 6.300 10.203 -2.791 121 1HB SER 15 1HB SER 15 7.160 11.713 -4.659 122 2HB SER 15 2HB SER 15 8.135 12.528 -3.433 123 HG SER 15 HG SER 15 8.345 9.960 -4.517 124 H THR 16 H THR 16 6.537 13.184 -0.925 125 HA THR 16 HA THR 16 8.360 12.565 1.118 126 HB THR 16 HB THR 16 5.567 13.756 1.393 127 HG1 THR 16 1HG THR 16 6.167 15.189 0.064 128 1HG2 THR 16 1HG2 THR 16 8.145 14.232 2.935 129 2HG2 THR 16 2HG2 THR 16 6.683 15.249 3.081 130 3HG2 THR 16 3HG2 THR 16 6.620 13.556 3.529 131 H MET 17 H MET 17 4.926 11.426 0.669 132 HA MET 17 HA MET 17 4.617 9.904 3.021 133 1HB MET 17 1HB MET 17 3.395 10.098 0.303 134 2HB MET 17 2HB MET 17 3.223 8.555 1.110 135 1HG MET 17 1HG MET 17 1.329 10.026 1.361 136 2HG MET 17 2HG MET 17 2.010 9.514 2.903 137 1HE MET 17 1HE MET 17 -0.149 11.456 2.988 138 2HE MET 17 2HE MET 17 0.190 13.192 2.813 139 3HE MET 17 3HE MET 17 0.130 12.152 1.378 140 H ARG 18 H ARG 18 6.259 9.103 -0.130 141 HA ARG 18 HA ARG 18 6.546 6.361 0.405 142 1HB ARG 18 1HB ARG 18 6.971 7.971 -1.734 143 2HB ARG 18 2HB ARG 18 8.630 7.854 -1.214 144 1HG ARG 18 1HG ARG 18 6.829 5.427 -1.679 145 2HG ARG 18 2HG ARG 18 7.752 6.178 -2.962 146 1HD ARG 18 1HD ARG 18 8.961 5.060 -0.406 147 2HD ARG 18 2HD ARG 18 8.873 4.188 -1.928 148 HE ARG 18 HE ARG 18 10.089 6.276 -2.873 149 1HH1 ARG 18 2HH2 ARG 18 10.737 4.911 0.310 150 2HH1 ARG 18 1HH2 ARG 18 12.478 4.974 0.115 151 1HH2 ARG 18 2HH1 ARG 18 12.261 6.643 -3.008 152 2HH2 ARG 18 1HH1 ARG 18 13.402 6.120 -1.813 153 H ARG 19 H ARG 19 8.561 9.140 1.056 154 HA ARG 19 HA ARG 19 10.821 7.881 2.302 155 1HB ARG 19 1HB ARG 19 9.974 10.552 1.740 156 2HB ARG 19 2HB ARG 19 10.050 10.477 3.488 157 1HG ARG 19 1HG ARG 19 12.140 11.229 2.740 158 2HG ARG 19 2HG ARG 19 12.404 9.566 3.293 159 1HD ARG 19 1HD ARG 19 12.814 8.774 1.155 160 2HD ARG 19 2HD ARG 19 11.696 9.903 0.398 161 HE ARG 19 HE ARG 19 14.519 10.379 1.116 162 1HH1 ARG 19 2HH2 ARG 19 11.686 11.470 -0.697 163 2HH1 ARG 19 1HH2 ARG 19 12.291 13.038 -1.055 164 1HH2 ARG 19 2HH1 ARG 19 15.324 12.501 0.788 165 2HH2 ARG 19 1HH1 ARG 19 14.537 13.558 -0.355 166 H ILE 20 H ILE 20 7.908 9.408 3.700 167 HA ILE 20 HA ILE 20 8.371 8.692 6.349 168 HB ILE 20 HB ILE 20 5.968 9.589 4.803 169 1HG1 ILE 20 1HG1 ILE 20 5.928 11.181 6.803 170 2HG1 ILE 20 2HG1 ILE 20 7.413 10.433 7.372 171 1HG2 ILE 20 1HG2 ILE 20 4.509 9.408 6.807 172 2HG2 ILE 20 2HG2 ILE 20 4.887 7.851 6.096 173 3HG2 ILE 20 3HG2 ILE 20 5.732 8.370 7.573 174 1HD1 ILE 20 1HD1 ILE 20 7.846 12.540 6.135 175 2HD1 ILE 20 2HD1 ILE 20 8.555 11.169 5.268 176 3HD1 ILE 20 3HD1 ILE 20 7.022 11.870 4.730 177 H VAL 21 H VAL 21 6.159 6.884 4.110 178 HA VAL 21 HA VAL 21 5.648 4.810 5.884 179 HB VAL 21 HB VAL 21 5.699 4.864 2.840 180 1HG1 VAL 21 1HG1 VAL 21 5.867 2.509 3.468 181 2HG1 VAL 21 2HG1 VAL 21 4.579 2.693 4.675 182 3HG1 VAL 21 3HG1 VAL 21 4.226 2.848 2.933 183 1HG2 VAL 21 1HG2 VAL 21 3.400 4.965 4.860 184 2HG2 VAL 21 2HG2 VAL 21 4.039 6.366 3.984 185 3HG2 VAL 21 3HG2 VAL 21 3.257 5.072 3.087 186 H ARG 22 H ARG 22 8.458 5.010 3.539 187 HA ARG 22 HA ARG 22 9.416 2.412 4.232 188 1HB ARG 22 1HB ARG 22 10.315 3.855 2.339 189 2HB ARG 22 2HB ARG 22 11.156 4.812 3.556 190 1HG ARG 22 1HG ARG 22 11.959 2.231 4.259 191 2HG ARG 22 2HG ARG 22 11.730 2.053 2.541 192 1HD ARG 22 1HD ARG 22 13.137 4.381 2.579 193 2HD ARG 22 2HD ARG 22 13.725 3.641 4.071 194 HE ARG 22 HE ARG 22 14.379 3.063 1.371 195 1HH1 ARG 22 2HH2 ARG 22 13.998 1.195 4.391 196 2HH1 ARG 22 1HH2 ARG 22 15.333 0.134 4.022 197 1HH2 ARG 22 2HH1 ARG 22 16.024 1.591 0.876 198 2HH2 ARG 22 1HH1 ARG 22 16.187 0.142 1.803 199 H ASN 23 H ASN 23 10.074 5.671 5.654 200 HA ASN 23 HA ASN 23 11.999 4.872 7.572 201 1HB ASN 23 1HB ASN 23 11.330 7.212 6.742 202 2HB ASN 23 2HB ASN 23 10.020 7.158 7.920 203 1HD2 ASN 23 1HD2 ASN 23 12.401 8.914 7.722 204 2HD2 ASN 23 2HD2 ASN 23 13.290 8.719 9.229 205 H LEU 24 H LEU 24 8.448 5.085 7.794 206 HA LEU 24 HA LEU 24 8.221 4.302 10.553 207 1HB LEU 24 1HB LEU 24 6.242 3.879 8.285 208 2HB LEU 24 2HB LEU 24 5.896 3.759 10.008 209 HG LEU 24 HG LEU 24 6.653 6.337 8.585 210 1HD1 LEU 24 1HD1 LEU 24 3.977 5.316 9.554 211 2HD1 LEU 24 2HD1 LEU 24 4.304 6.922 8.854 212 3HD1 LEU 24 3HD1 LEU 24 4.512 5.471 7.865 213 1HD2 LEU 24 1HD2 LEU 24 5.648 7.317 10.772 214 2HD2 LEU 24 2HD2 LEU 24 6.136 5.755 11.456 215 3HD2 LEU 24 3HD2 LEU 24 7.338 6.801 10.723 216 H LEU 25 H LEU 25 8.245 2.380 7.470 217 HA LEU 25 HA LEU 25 7.998 -0.170 8.781 218 1HB LEU 25 1HB LEU 25 9.161 0.706 6.112 219 2HB LEU 25 2HB LEU 25 9.194 -0.965 6.623 220 HG LEU 25 HG LEU 25 6.563 0.510 6.643 221 1HD1 LEU 25 1HD1 LEU 25 6.130 -0.198 4.339 222 2HD1 LEU 25 2HD1 LEU 25 7.499 0.918 4.402 223 3HD1 LEU 25 3HD1 LEU 25 7.792 -0.823 4.198 224 1HD2 LEU 25 1HD2 LEU 25 6.765 -1.792 7.636 225 2HD2 LEU 25 2HD2 LEU 25 5.652 -1.721 6.271 226 3HD2 LEU 25 3HD2 LEU 25 7.279 -2.398 6.048 227 H LYS 26 H LYS 26 10.801 1.984 8.288 228 HA LYS 26 HA LYS 26 12.703 -0.023 9.221 229 1HB LYS 26 1HB LYS 26 12.942 3.001 8.940 230 2HB LYS 26 2HB LYS 26 14.220 1.955 9.530 231 1HG LYS 26 1HG LYS 26 14.014 0.611 7.365 232 2HG LYS 26 2HG LYS 26 12.926 1.864 6.786 233 1HD LYS 26 1HD LYS 26 14.787 2.814 5.953 234 2HD LYS 26 2HD LYS 26 15.026 3.443 7.577 235 1HE LYS 26 1HE LYS 26 16.091 0.749 6.610 236 2HE LYS 26 2HE LYS 26 17.008 2.246 6.416 237 1HZ LYS 26 1HZ LYS 26 17.127 2.445 8.795 238 2HZ LYS 26 2HZ LYS 26 16.174 1.094 9.016 239 3HZ LYS 26 3HZ LYS 26 17.641 0.953 8.367 240 H GLU 27 H GLU 27 10.634 2.377 10.840 241 HA GLU 27 HA GLU 27 11.809 1.992 13.453 242 1HB GLU 27 1HB GLU 27 8.948 2.757 12.676 243 2HB GLU 27 2HB GLU 27 9.557 2.729 14.311 244 1HG GLU 27 1HG GLU 27 10.705 4.523 12.144 245 2HG GLU 27 2HG GLU 27 9.423 4.985 13.250 246 H LEU 28 H LEU 28 9.049 0.370 11.737 247 HA LEU 28 HA LEU 28 9.454 -2.074 13.220 248 1HB LEU 28 1HB LEU 28 6.930 -2.031 13.916 249 2HB LEU 28 2HB LEU 28 8.213 -1.434 14.933 250 HG LEU 28 HG LEU 28 7.700 0.888 14.098 251 1HD1 LEU 28 1HD1 LEU 28 6.390 0.662 12.159 252 2HD1 LEU 28 2HD1 LEU 28 5.298 -0.512 12.911 253 3HD1 LEU 28 3HD1 LEU 28 5.241 1.196 13.390 254 1HD2 LEU 28 1HD2 LEU 28 5.734 1.089 15.673 255 2HD2 LEU 28 2HD2 LEU 28 5.684 -0.690 15.730 256 3HD2 LEU 28 3HD2 LEU 28 7.100 0.170 16.315 257 H GLY 29 H GLY 29 9.772 -2.909 11.417 258 1HA GLY 29 1HA GLY 29 7.877 -4.301 9.933 259 2HA GLY 29 2HA GLY 29 7.976 -2.741 9.109 260 H PHE 30 H PHE 30 9.198 -2.940 7.283 261 HA PHE 30 HA PHE 30 11.337 -5.001 7.252 262 1HB PHE 30 1HB PHE 30 9.111 -4.556 5.243 263 2HB PHE 30 2HB PHE 30 10.352 -5.794 5.145 264 HD1 PHE 30 1HD PHE 30 7.248 -4.757 6.932 265 HD2 PHE 30 2HD PHE 30 10.214 -7.844 6.457 266 HE1 PHE 30 1HE PHE 30 5.836 -6.314 8.245 267 HE2 PHE 30 2HE PHE 30 8.796 -9.397 7.791 268 HZ PHE 30 HZ PHE 30 6.625 -8.652 8.671 269 H ASN 31 H ASN 31 12.607 -4.949 5.248 270 HA ASN 31 HA ASN 31 13.130 -2.198 4.222 271 1HB ASN 31 1HB ASN 31 15.442 -2.965 3.791 272 2HB ASN 31 2HB ASN 31 15.005 -3.074 5.478 273 1HD2 ASN 31 1HD2 ASN 31 15.662 -5.118 2.492 274 2HD2 ASN 31 2HD2 ASN 31 15.847 -6.553 3.482 275 H ASN 32 H ASN 32 14.496 -2.672 1.960 276 HA ASN 32 HA ASN 32 14.270 -2.914 -0.213 277 1HB ASN 32 1HB ASN 32 13.177 -5.646 0.500 278 2HB ASN 32 2HB ASN 32 13.395 -5.077 -1.154 279 1HD2 ASN 32 1HD2 ASN 32 15.102 -6.646 -1.717 280 2HD2 ASN 32 2HD2 ASN 32 16.630 -6.580 -0.887 281 H VAL 33 H VAL 33 12.934 -1.114 -0.320 282 HA VAL 33 HA VAL 33 10.110 -1.754 -0.921 283 HB VAL 33 HB VAL 33 9.225 0.000 0.151 284 1HG1 VAL 33 1HG1 VAL 33 11.630 -0.370 1.983 285 2HG1 VAL 33 2HG1 VAL 33 9.993 0.150 2.429 286 3HG1 VAL 33 3HG1 VAL 33 10.274 -1.502 1.876 287 1HG2 VAL 33 1HG2 VAL 33 10.506 1.820 -0.856 288 2HG2 VAL 33 2HG2 VAL 33 10.284 2.064 0.861 289 3HG2 VAL 33 3HG2 VAL 33 11.868 1.495 0.243 290 H GLU 34 H GLU 34 9.248 -0.735 -2.754 291 HA GLU 34 HA GLU 34 11.164 0.710 -4.507 292 1HB GLU 34 1HB GLU 34 10.276 -1.896 -4.864 293 2HB GLU 34 2HB GLU 34 8.996 -1.041 -5.652 294 1HG GLU 34 1HG GLU 34 10.701 -1.630 -7.281 295 2HG GLU 34 2HG GLU 34 10.583 0.116 -7.131 296 H GLU 35 H GLU 35 9.769 1.620 -6.462 297 HA GLU 35 HA GLU 35 7.180 2.653 -5.524 298 1HB GLU 35 1HB GLU 35 9.041 4.461 -7.081 299 2HB GLU 35 2HB GLU 35 7.587 4.854 -6.172 300 1HG GLU 35 1HG GLU 35 9.236 5.717 -4.814 301 2HG GLU 35 2HG GLU 35 8.949 4.142 -4.072 302 H ALA 36 H ALA 36 6.019 3.599 -7.392 303 HA ALA 36 HA ALA 36 6.818 2.743 -10.058 304 1HB ALA 36 1HB ALA 36 4.553 2.147 -10.654 305 2HB ALA 36 2HB ALA 36 4.949 1.190 -9.215 306 3HB ALA 36 3HB ALA 36 3.928 2.640 -9.094 307 H GLU 37 H GLU 37 5.538 4.265 -11.603 308 HA GLU 37 HA GLU 37 5.788 6.990 -10.719 309 1HB GLU 37 1HB GLU 37 4.419 5.725 -13.130 310 2HB GLU 37 2HB GLU 37 4.688 7.453 -12.928 311 1HG GLU 37 1HG GLU 37 7.178 5.893 -12.555 312 2HG GLU 37 2HG GLU 37 6.424 5.595 -14.108 313 H ASP 38 H ASP 38 3.003 4.706 -11.000 314 HA ASP 38 HA ASP 38 1.201 6.198 -9.410 315 1HB ASP 38 1HB ASP 38 -0.260 7.079 -10.973 316 2HB ASP 38 2HB ASP 38 1.285 7.552 -11.642 317 H GLY 39 H GLY 39 -1.089 5.042 -9.753 318 1HA GLY 39 1HA GLY 39 -0.894 2.367 -9.284 319 2HA GLY 39 2HA GLY 39 -2.351 3.158 -9.891 320 H VAL 40 H VAL 40 -1.179 3.883 -12.525 321 HA VAL 40 HA VAL 40 -1.873 1.459 -13.895 322 HB VAL 40 HB VAL 40 -0.571 3.966 -15.032 323 1HG1 VAL 40 1HG1 VAL 40 -2.237 1.711 -16.247 324 2HG1 VAL 40 2HG1 VAL 40 -1.837 3.230 -17.077 325 3HG1 VAL 40 3HG1 VAL 40 -0.543 2.129 -16.598 326 1HG2 VAL 40 1HG2 VAL 40 -2.713 4.545 -13.796 327 2HG2 VAL 40 2HG2 VAL 40 -2.771 4.811 -15.525 328 3HG2 VAL 40 3HG2 VAL 40 -3.557 3.381 -14.864 329 H ASP 41 H ASP 41 1.203 3.189 -13.230 330 HA ASP 41 HA ASP 41 2.857 1.147 -14.439 331 1HB ASP 41 1HB ASP 41 3.514 3.536 -14.110 332 2HB ASP 41 2HB ASP 41 3.543 3.281 -12.377 333 H ALA 42 H ALA 42 1.432 1.594 -11.170 334 HA ALA 42 HA ALA 42 3.039 -0.162 -9.716 335 1HB ALA 42 1HB ALA 42 1.270 -0.188 -8.101 336 2HB ALA 42 2HB ALA 42 1.223 1.430 -8.838 337 3HB ALA 42 3HB ALA 42 0.042 0.199 -9.298 338 H LEU 43 H LEU 43 0.014 -0.800 -11.572 339 HA LEU 43 HA LEU 43 -0.122 -3.552 -10.920 340 1HB LEU 43 1HB LEU 43 -1.822 -2.044 -12.213 341 2HB LEU 43 2HB LEU 43 -0.935 -2.551 -13.654 342 HG LEU 43 HG LEU 43 -1.279 -4.991 -12.519 343 1HD1 LEU 43 1HD1 LEU 43 -3.407 -5.197 -11.388 344 2HD1 LEU 43 2HD1 LEU 43 -2.423 -4.030 -10.501 345 3HD1 LEU 43 3HD1 LEU 43 -3.735 -3.460 -11.560 346 1HD2 LEU 43 1HD2 LEU 43 -2.074 -4.416 -14.756 347 2HD2 LEU 43 2HD2 LEU 43 -3.303 -5.313 -13.868 348 3HD2 LEU 43 3HD2 LEU 43 -3.470 -3.557 -14.075 349 H ASN 44 H ASN 44 1.696 -1.928 -13.528 350 HA ASN 44 HA ASN 44 2.710 -4.319 -14.749 351 1HB ASN 44 1HB ASN 44 2.795 -1.953 -15.712 352 2HB ASN 44 2HB ASN 44 4.178 -1.650 -14.670 353 1HD2 ASN 44 1HD2 ASN 44 5.068 -4.705 -15.217 354 2HD2 ASN 44 2HD2 ASN 44 5.684 -4.615 -16.850 355 H LYS 45 H LYS 45 3.915 -2.297 -12.006 356 HA LYS 45 HA LYS 45 6.323 -3.785 -11.566 357 1HB LYS 45 1HB LYS 45 4.632 -2.035 -9.786 358 2HB LYS 45 2HB LYS 45 5.672 -3.220 -9.008 359 1HG LYS 45 1HG LYS 45 6.846 -1.136 -9.157 360 2HG LYS 45 2HG LYS 45 7.629 -2.325 -10.187 361 1HD LYS 45 1HD LYS 45 6.399 -1.316 -12.155 362 2HD LYS 45 2HD LYS 45 5.769 -0.070 -11.055 363 1HE LYS 45 1HE LYS 45 7.989 0.745 -10.595 364 2HE LYS 45 2HE LYS 45 8.735 -0.657 -11.379 365 1HZ LYS 45 1HZ LYS 45 7.798 0.122 -13.486 366 2HZ LYS 45 2HZ LYS 45 7.168 1.441 -12.749 367 3HZ LYS 45 3HZ LYS 45 8.803 1.234 -12.800 368 H LEU 46 H LEU 46 3.029 -4.362 -10.189 369 HA LEU 46 HA LEU 46 3.849 -6.621 -8.723 370 1HB LEU 46 1HB LEU 46 1.130 -6.639 -10.035 371 2HB LEU 46 2HB LEU 46 1.593 -7.247 -8.448 372 HG LEU 46 HG LEU 46 1.286 -4.371 -9.314 373 1HD1 LEU 46 1HD1 LEU 46 -0.395 -6.016 -7.444 374 2HD1 LEU 46 2HD1 LEU 46 -0.580 -4.300 -7.897 375 3HD1 LEU 46 3HD1 LEU 46 -0.800 -5.563 -9.123 376 1HD2 LEU 46 1HD2 LEU 46 1.819 -5.344 -6.488 377 2HD2 LEU 46 2HD2 LEU 46 3.020 -4.510 -7.503 378 3HD2 LEU 46 3HD2 LEU 46 1.553 -3.668 -7.027 379 H GLN 47 H GLN 47 2.719 -6.458 -12.130 380 HA GLN 47 HA GLN 47 2.831 -9.287 -12.567 381 1HB GLN 47 1HB GLN 47 2.769 -6.811 -14.302 382 2HB GLN 47 2HB GLN 47 3.155 -8.347 -15.061 383 1HG GLN 47 1HG GLN 47 0.690 -7.853 -13.346 384 2HG GLN 47 2HG GLN 47 0.738 -7.790 -15.109 385 1HE2 GLN 47 1HE2 GLN 47 -0.876 -9.738 -13.377 386 2HE2 GLN 47 2HE2 GLN 47 -0.214 -11.322 -13.787 387 H ALA 48 H ALA 48 5.330 -7.046 -12.267 388 HA ALA 48 HA ALA 48 7.323 -8.756 -13.659 389 1HB ALA 48 1HB ALA 48 7.136 -6.387 -14.345 390 2HB ALA 48 2HB ALA 48 7.530 -5.880 -12.680 391 3HB ALA 48 3HB ALA 48 8.726 -6.765 -13.649 392 H GLY 49 H GLY 49 6.214 -8.735 -10.481 393 1HA GLY 49 1HA GLY 49 8.562 -10.074 -9.643 394 2HA GLY 49 2HA GLY 49 8.644 -8.406 -9.068 395 H GLY 50 H GLY 50 8.861 -10.172 -7.247 396 1HA GLY 50 1HA GLY 50 6.348 -10.873 -5.921 397 2HA GLY 50 2HA GLY 50 8.004 -11.130 -5.356 398 H TYR 51 H TYR 51 5.995 -8.358 -6.294 399 HA TYR 51 HA TYR 51 6.873 -6.637 -4.090 400 1HB TYR 51 1HB TYR 51 4.715 -6.269 -6.199 401 2HB TYR 51 2HB TYR 51 5.233 -5.065 -5.032 402 HD1 TYR 51 1HD TYR 51 6.073 -6.864 -8.127 403 HD2 TYR 51 2HD TYR 51 7.487 -3.951 -5.278 404 HE1 TYR 51 1HE TYR 51 7.855 -6.207 -9.689 405 HE2 TYR 51 2HE TYR 51 9.202 -3.219 -6.901 406 HH TYR 51 HH TYR 51 10.368 -3.896 -8.963 407 H GLY 52 H GLY 52 6.304 -8.353 -2.558 408 1HA GLY 52 1HA GLY 52 3.685 -9.438 -2.283 409 2HA GLY 52 2HA GLY 52 4.970 -9.515 -1.100 410 H PHE 53 H PHE 53 4.605 -6.255 -1.632 411 HA PHE 53 HA PHE 53 2.207 -5.886 0.003 412 1HB PHE 53 1HB PHE 53 4.947 -5.237 0.847 413 2HB PHE 53 2HB PHE 53 3.972 -3.795 0.730 414 HD1 PHE 53 1HD PHE 53 4.261 -7.110 2.401 415 HD2 PHE 53 2HD PHE 53 2.245 -3.304 2.327 416 HE1 PHE 53 1HE PHE 53 3.480 -7.483 4.707 417 HE2 PHE 53 2HE PHE 53 1.479 -3.664 4.650 418 HZ PHE 53 HZ PHE 53 2.122 -5.770 5.860 419 H VAL 54 H VAL 54 0.921 -4.297 -0.867 420 HA VAL 54 HA VAL 54 2.054 -2.663 -3.086 421 HB VAL 54 HB VAL 54 -0.720 -3.916 -2.952 422 1HG1 VAL 54 1HG1 VAL 54 0.898 -2.670 -5.214 423 2HG1 VAL 54 2HG1 VAL 54 -0.522 -3.669 -5.493 424 3HG1 VAL 54 3HG1 VAL 54 -0.702 -2.157 -4.618 425 1HG2 VAL 54 1HG2 VAL 54 0.141 -5.533 -4.581 426 2HG2 VAL 54 2HG2 VAL 54 1.809 -4.976 -4.262 427 3HG2 VAL 54 3HG2 VAL 54 0.851 -5.749 -2.986 428 H ILE 55 H ILE 55 2.446 -1.170 -1.197 429 HA ILE 55 HA ILE 55 0.044 0.069 -0.046 430 HB ILE 55 HB ILE 55 2.914 1.020 0.265 431 1HG1 ILE 55 1HG1 ILE 55 1.471 -1.196 1.755 432 2HG1 ILE 55 2HG1 ILE 55 3.029 -1.281 0.920 433 1HG2 ILE 55 1HG2 ILE 55 2.057 2.065 2.307 434 2HG2 ILE 55 2HG2 ILE 55 1.038 2.544 0.956 435 3HG2 ILE 55 3HG2 ILE 55 0.472 1.282 2.068 436 1HD1 ILE 55 1HD1 ILE 55 3.360 -1.351 3.297 437 2HD1 ILE 55 2HD1 ILE 55 4.038 0.158 2.667 438 3HD1 ILE 55 3HD1 ILE 55 2.483 0.147 3.549 439 H SER 56 H SER 56 -0.811 2.078 -0.810 440 HA SER 56 HA SER 56 0.885 3.684 -2.512 441 1HB SER 56 1HB SER 56 -0.787 3.801 -4.389 442 2HB SER 56 2HB SER 56 0.097 2.284 -4.269 443 HG SER 56 HG SER 56 -2.373 2.531 -4.547 444 H ASP 57 H ASP 57 -0.306 5.700 -3.170 445 HA ASP 57 HA ASP 57 -2.070 6.734 -1.026 446 1HB ASP 57 1HB ASP 57 -0.438 8.246 -2.197 447 2HB ASP 57 2HB ASP 57 -1.338 8.013 -3.702 448 H TRP 58 H TRP 58 -4.251 7.625 -2.110 449 HA TRP 58 HA TRP 58 -5.786 5.521 -3.392 450 1HB TRP 58 1HB TRP 58 -6.828 7.166 -1.898 451 2HB TRP 58 2HB TRP 58 -6.203 8.503 -2.851 452 HD1 TRP 58 HD TRP 58 -7.552 9.225 -4.973 453 HE1 TRP 58 1HE TRP 58 -9.783 8.522 -6.005 454 HE3 TRP 58 3HE TRP 58 -8.361 5.027 -2.230 455 HZ2 TRP 58 2HZ TRP 58 -11.809 6.413 -5.543 456 HZ3 TRP 58 3HZ TRP 58 -10.512 3.760 -2.454 457 HH2 TRP 58 HH TRP 58 -12.241 4.532 -4.078 458 H ASN 59 H ASN 59 -4.611 8.751 -4.240 459 HA ASN 59 HA ASN 59 -4.470 9.916 -6.123 460 1HB ASN 59 1HB ASN 59 -2.491 8.165 -6.175 461 2HB ASN 59 2HB ASN 59 -3.342 7.525 -7.580 462 1HD2 ASN 59 1HD2 ASN 59 -0.690 8.895 -7.269 463 2HD2 ASN 59 2HD2 ASN 59 -0.757 10.420 -8.143 464 H MET 60 H MET 60 -5.080 10.095 -8.511 465 HA MET 60 HA MET 60 -6.847 8.074 -9.534 466 1HB MET 60 1HB MET 60 -8.411 9.429 -8.144 467 2HB MET 60 2HB MET 60 -8.037 10.840 -9.116 468 1HG MET 60 1HG MET 60 -8.837 8.538 -10.777 469 2HG MET 60 2HG MET 60 -10.022 8.892 -9.531 470 1HE MET 60 1HE MET 60 -9.772 9.359 -13.139 471 2HE MET 60 2HE MET 60 -9.307 11.056 -13.404 472 3HE MET 60 3HE MET 60 -8.169 9.933 -12.655 473 HA PRO 61 HA PRO 61 -4.202 10.291 -12.576 474 1HB PRO 61 1HB PRO 61 -2.748 8.179 -13.473 475 2HB PRO 61 2HB PRO 61 -2.349 9.015 -11.937 476 1HG PRO 61 1HG PRO 61 -3.804 6.404 -12.272 477 2HG PRO 61 2HG PRO 61 -2.524 6.830 -11.108 478 1HD PRO 61 1HD PRO 61 -5.213 6.927 -10.512 479 2HD PRO 61 2HD PRO 61 -3.989 7.957 -9.724 480 H ASN 62 H ASN 62 -5.494 7.034 -12.839 481 HA ASN 62 HA ASN 62 -7.404 7.432 -14.945 482 1HB ASN 62 1HB ASN 62 -5.348 7.329 -16.334 483 2HB ASN 62 2HB ASN 62 -4.820 5.881 -15.541 484 1HD2 ASN 62 1HD2 ASN 62 -4.798 5.291 -17.923 485 2HD2 ASN 62 2HD2 ASN 62 -6.237 4.533 -18.587 486 H MET 63 H MET 63 -5.232 4.759 -14.145 487 HA MET 63 HA MET 63 -7.271 3.227 -12.675 488 1HB MET 63 1HB MET 63 -5.474 2.063 -13.947 489 2HB MET 63 2HB MET 63 -4.266 2.715 -12.831 490 1HG MET 63 1HG MET 63 -4.893 1.365 -11.102 491 2HG MET 63 2HG MET 63 -6.580 1.364 -11.552 492 1HE MET 63 1HE MET 63 -3.781 0.361 -14.172 493 2HE MET 63 2HE MET 63 -3.064 -0.094 -12.601 494 3HE MET 63 3HE MET 63 -3.550 -1.345 -13.768 495 H ASP 64 H ASP 64 -7.922 4.661 -11.147 496 HA ASP 64 HA ASP 64 -6.222 5.806 -9.071 497 1HB ASP 64 1HB ASP 64 -8.326 6.239 -7.922 498 2HB ASP 64 2HB ASP 64 -8.434 6.721 -9.604 499 H GLY 65 H GLY 65 -6.508 5.084 -6.772 500 1HA GLY 65 1HA GLY 65 -5.451 2.531 -6.464 501 2HA GLY 65 2HA GLY 65 -6.131 3.525 -5.173 502 H LEU 66 H LEU 66 -8.858 3.282 -6.885 503 HA LEU 66 HA LEU 66 -9.813 0.967 -5.356 504 1HB LEU 66 1HB LEU 66 -10.976 3.376 -5.946 505 2HB LEU 66 2HB LEU 66 -11.532 2.480 -7.337 506 HG LEU 66 HG LEU 66 -13.165 2.478 -5.563 507 1HD1 LEU 66 1HD1 LEU 66 -12.048 -0.333 -5.740 508 2HD1 LEU 66 2HD1 LEU 66 -13.723 0.169 -5.431 509 3HD1 LEU 66 3HD1 LEU 66 -12.990 0.467 -7.025 510 1HD2 LEU 66 1HD2 LEU 66 -10.875 1.905 -3.832 511 2HD2 LEU 66 2HD2 LEU 66 -12.468 2.487 -3.447 512 3HD2 LEU 66 3HD2 LEU 66 -12.188 0.743 -3.588 513 H GLU 67 H GLU 67 -9.527 2.118 -8.713 514 HA GLU 67 HA GLU 67 -10.271 -0.362 -9.949 515 1HB GLU 67 1HB GLU 67 -8.547 1.987 -10.858 516 2HB GLU 67 2HB GLU 67 -8.907 0.591 -11.881 517 1HG GLU 67 1HG GLU 67 -10.915 2.534 -10.690 518 2HG GLU 67 2HG GLU 67 -10.426 2.419 -12.386 519 H LEU 68 H LEU 68 -7.097 0.910 -8.918 520 HA LEU 68 HA LEU 68 -5.489 -1.247 -9.763 521 1HB LEU 68 1HB LEU 68 -4.672 0.946 -8.845 522 2HB LEU 68 2HB LEU 68 -5.205 0.439 -7.247 523 HG LEU 68 HG LEU 68 -3.597 -1.477 -7.334 524 1HD1 LEU 68 1HD1 LEU 68 -1.744 -1.370 -9.037 525 2HD1 LEU 68 2HD1 LEU 68 -3.301 -1.769 -9.760 526 3HD1 LEU 68 3HD1 LEU 68 -2.665 -0.126 -9.902 527 1HD2 LEU 68 1HD2 LEU 68 -3.016 0.603 -6.196 528 2HD2 LEU 68 2HD2 LEU 68 -1.585 -0.096 -6.965 529 3HD2 LEU 68 3HD2 LEU 68 -2.406 1.296 -7.711 530 H LEU 69 H LEU 69 -7.147 -0.763 -6.598 531 HA LEU 69 HA LEU 69 -6.543 -3.267 -5.450 532 1HB LEU 69 1HB LEU 69 -7.337 -1.730 -3.976 533 2HB LEU 69 2HB LEU 69 -8.602 -1.151 -5.048 534 HG LEU 69 HG LEU 69 -10.079 -2.915 -4.560 535 1HD1 LEU 69 1HD1 LEU 69 -8.358 -4.149 -2.413 536 2HD1 LEU 69 2HD1 LEU 69 -9.800 -4.771 -3.196 537 3HD1 LEU 69 3HD1 LEU 69 -8.267 -4.789 -4.058 538 1HD2 LEU 69 1HD2 LEU 69 -10.036 -1.021 -2.989 539 2HD2 LEU 69 2HD2 LEU 69 -10.250 -2.487 -2.018 540 3HD2 LEU 69 3HD2 LEU 69 -8.658 -1.724 -2.159 541 H LYS 70 H LYS 70 -9.506 -2.379 -7.381 542 HA LYS 70 HA LYS 70 -10.529 -5.049 -7.084 543 1HB LYS 70 1HB LYS 70 -11.166 -3.001 -9.246 544 2HB LYS 70 2HB LYS 70 -11.999 -4.551 -9.017 545 1HG LYS 70 1HG LYS 70 -12.372 -3.754 -6.552 546 2HG LYS 70 2HG LYS 70 -11.992 -2.145 -7.196 547 1HD LYS 70 1HD LYS 70 -13.782 -2.558 -8.968 548 2HD LYS 70 2HD LYS 70 -14.206 -4.044 -8.088 549 1HE LYS 70 1HE LYS 70 -14.477 -2.608 -6.004 550 2HE LYS 70 2HE LYS 70 -14.251 -1.187 -7.037 551 1HZ LYS 70 1HZ LYS 70 -16.506 -1.582 -6.678 552 2HZ LYS 70 2HZ LYS 70 -16.213 -1.865 -8.272 553 3HZ LYS 70 3HZ LYS 70 -16.432 -3.141 -7.247 554 H THR 71 H THR 71 -8.443 -3.662 -9.611 555 HA THR 71 HA THR 71 -8.460 -5.906 -11.368 556 HB THR 71 HB THR 71 -6.281 -3.841 -10.797 557 HG1 THR 71 1HG THR 71 -8.012 -2.721 -11.351 558 1HG2 THR 71 1HG2 THR 71 -6.805 -5.454 -13.329 559 2HG2 THR 71 2HG2 THR 71 -5.582 -4.182 -13.113 560 3HG2 THR 71 3HG2 THR 71 -5.449 -5.696 -12.218 561 H ILE 72 H ILE 72 -6.511 -5.126 -8.445 562 HA ILE 72 HA ILE 72 -4.817 -7.466 -8.614 563 HB ILE 72 HB ILE 72 -5.474 -5.340 -6.535 564 1HG1 ILE 72 1HG1 ILE 72 -2.840 -6.133 -7.874 565 2HG1 ILE 72 2HG1 ILE 72 -3.958 -4.995 -8.609 566 1HG2 ILE 72 1HG2 ILE 72 -3.628 -6.330 -5.126 567 2HG2 ILE 72 2HG2 ILE 72 -5.056 -7.352 -5.186 568 3HG2 ILE 72 3HG2 ILE 72 -3.641 -7.735 -6.178 569 1HD1 ILE 72 1HD1 ILE 72 -2.458 -3.583 -7.504 570 2HD1 ILE 72 2HD1 ILE 72 -3.832 -3.621 -6.442 571 3HD1 ILE 72 3HD1 ILE 72 -2.399 -4.611 -6.054 572 H ARG 73 H ARG 73 -7.768 -6.655 -6.768 573 HA ARG 73 HA ARG 73 -8.047 -9.086 -5.380 574 1HB ARG 73 1HB ARG 73 -9.212 -6.731 -5.171 575 2HB ARG 73 2HB ARG 73 -10.427 -7.401 -6.236 576 1HG ARG 73 1HG ARG 73 -9.714 -9.111 -3.863 577 2HG ARG 73 2HG ARG 73 -10.325 -7.518 -3.468 578 1HD ARG 73 1HD ARG 73 -12.200 -8.926 -3.460 579 2HD ARG 73 2HD ARG 73 -12.324 -7.929 -4.912 580 HE ARG 73 HE ARG 73 -10.988 -10.429 -5.461 581 1HH1 ARG 73 2HH2 ARG 73 -14.239 -9.061 -4.930 582 2HH1 ARG 73 1HH2 ARG 73 -15.008 -10.169 -6.017 583 1HH2 ARG 73 2HH1 ARG 73 -12.076 -12.057 -6.691 584 2HH2 ARG 73 1HH1 ARG 73 -13.802 -11.979 -6.889 585 H ALA 74 H ALA 74 -8.917 -8.281 -8.720 586 HA ALA 74 HA ALA 74 -10.600 -10.633 -9.085 587 1HB ALA 74 1HB ALA 74 -10.967 -8.519 -10.323 588 2HB ALA 74 2HB ALA 74 -9.362 -8.681 -11.071 589 3HB ALA 74 3HB ALA 74 -10.636 -9.869 -11.417 590 H ASP 75 H ASP 75 -7.181 -10.293 -8.873 591 HA ASP 75 HA ASP 75 -6.505 -11.928 -11.191 592 1HB ASP 75 1HB ASP 75 -5.177 -9.986 -10.268 593 2HB ASP 75 2HB ASP 75 -4.812 -11.000 -8.861 594 H GLY 76 H GLY 76 -5.424 -14.045 -11.051 595 1HA GLY 76 1HA GLY 76 -6.608 -15.779 -9.070 596 2HA GLY 76 2HA GLY 76 -5.492 -16.231 -10.356 597 H ALA 77 H ALA 77 -3.528 -14.082 -9.271 598 HA ALA 77 HA ALA 77 -2.476 -15.627 -6.942 599 1HB ALA 77 1HB ALA 77 -0.331 -14.550 -7.515 600 2HB ALA 77 2HB ALA 77 -0.937 -15.576 -8.832 601 3HB ALA 77 3HB ALA 77 -1.075 -13.807 -8.946 602 H MET 78 H MET 78 -2.809 -12.326 -8.290 603 HA MET 78 HA MET 78 -1.688 -11.207 -5.973 604 1HB MET 78 1HB MET 78 -3.236 -9.707 -8.120 605 2HB MET 78 2HB MET 78 -2.087 -9.033 -6.981 606 1HG MET 78 1HG MET 78 -0.278 -10.414 -7.908 607 2HG MET 78 2HG MET 78 -1.396 -11.091 -9.094 608 1HE MET 78 1HE MET 78 0.844 -8.955 -11.337 609 2HE MET 78 2HE MET 78 1.325 -9.881 -9.898 610 3HE MET 78 3HE MET 78 0.122 -10.548 -11.026 611 H SER 79 H SER 79 -4.915 -12.154 -6.234 612 HA SER 79 HA SER 79 -6.199 -10.100 -4.786 613 1HB SER 79 1HB SER 79 -7.267 -12.058 -5.982 614 2HB SER 79 2HB SER 79 -6.895 -13.053 -4.563 615 HG SER 79 HG SER 79 -8.232 -11.709 -3.333 616 H ALA 80 H ALA 80 -3.854 -12.414 -3.603 617 HA ALA 80 HA ALA 80 -4.562 -12.139 -0.791 618 1HB ALA 80 1HB ALA 80 -2.414 -13.280 -0.420 619 2HB ALA 80 2HB ALA 80 -3.375 -14.118 -1.631 620 3HB ALA 80 3HB ALA 80 -2.000 -13.108 -2.139 621 H LEU 81 H LEU 81 -3.031 -9.926 -2.976 622 HA LEU 81 HA LEU 81 -0.870 -9.130 -1.297 623 1HB LEU 81 1HB LEU 81 -2.292 -7.816 -3.643 624 2HB LEU 81 2HB LEU 81 -0.991 -7.004 -2.809 625 HG LEU 81 HG LEU 81 -0.728 -9.736 -4.119 626 1HD1 LEU 81 1HD1 LEU 81 0.091 -8.802 -6.038 627 2HD1 LEU 81 2HD1 LEU 81 -0.969 -7.454 -5.573 628 3HD1 LEU 81 3HD1 LEU 81 0.778 -7.411 -5.241 629 1HD2 LEU 81 1HD2 LEU 81 0.909 -9.520 -2.338 630 2HD2 LEU 81 2HD2 LEU 81 1.757 -9.253 -3.864 631 3HD2 LEU 81 3HD2 LEU 81 1.332 -7.880 -2.840 632 HA PRO 82 HA PRO 82 -3.152 -6.186 1.295 633 1HB PRO 82 1HB PRO 82 -1.092 -4.986 2.601 634 2HB PRO 82 2HB PRO 82 -1.628 -6.640 2.995 635 1HG PRO 82 1HG PRO 82 0.663 -5.795 1.288 636 2HG PRO 82 2HG PRO 82 0.633 -7.080 2.528 637 1HD PRO 82 1HD PRO 82 0.356 -7.564 -0.195 638 2HD PRO 82 2HD PRO 82 -0.387 -8.601 1.057 639 H VAL 83 H VAL 83 -3.752 -5.315 -0.782 640 HA VAL 83 HA VAL 83 -2.503 -2.888 -1.786 641 HB VAL 83 HB VAL 83 -4.944 -2.488 -2.565 642 1HG1 VAL 83 1HG1 VAL 83 -3.159 -3.120 -4.043 643 2HG1 VAL 83 2HG1 VAL 83 -3.229 -4.816 -3.505 644 3HG1 VAL 83 3HG1 VAL 83 -4.581 -4.108 -4.424 645 1HG2 VAL 83 1HG2 VAL 83 -6.126 -4.154 -1.151 646 2HG2 VAL 83 2HG2 VAL 83 -6.273 -4.517 -2.878 647 3HG2 VAL 83 3HG2 VAL 83 -5.189 -5.473 -1.895 648 H LEU 84 H LEU 84 -2.177 -1.229 -0.473 649 HA LEU 84 HA LEU 84 -3.905 -0.970 1.940 650 1HB LEU 84 1HB LEU 84 -1.897 -2.312 2.360 651 2HB LEU 84 2HB LEU 84 -0.872 -1.014 1.771 652 HG LEU 84 HG LEU 84 -1.350 0.376 3.652 653 1HD1 LEU 84 1HD1 LEU 84 -3.032 -0.399 5.453 654 2HD1 LEU 84 2HD1 LEU 84 -3.714 0.235 3.962 655 3HD1 LEU 84 3HD1 LEU 84 -3.653 -1.521 4.244 656 1HD2 LEU 84 1HD2 LEU 84 -1.158 -2.508 4.614 657 2HD2 LEU 84 2HD2 LEU 84 0.196 -1.538 4.000 658 3HD2 LEU 84 3HD2 LEU 84 -0.608 -1.080 5.506 659 H MET 85 H MET 85 -4.858 0.912 1.865 660 HA MET 85 HA MET 85 -3.817 3.049 0.135 661 1HB MET 85 1HB MET 85 -6.344 2.735 1.791 662 2HB MET 85 2HB MET 85 -6.003 4.129 0.780 663 1HG MET 85 1HG MET 85 -6.129 1.281 -0.337 664 2HG MET 85 2HG MET 85 -7.555 2.244 -0.079 665 1HE MET 85 1HE MET 85 -4.926 1.274 -2.566 666 2HE MET 85 2HE MET 85 -4.596 2.724 -3.537 667 3HE MET 85 3HE MET 85 -3.932 2.595 -1.905 668 H VAL 86 H VAL 86 -2.434 4.500 0.900 669 HA VAL 86 HA VAL 86 -2.604 5.478 3.689 670 HB VAL 86 HB VAL 86 -0.032 4.633 2.273 671 1HG1 VAL 86 1HG1 VAL 86 1.024 5.153 4.467 672 2HG1 VAL 86 2HG1 VAL 86 0.307 6.574 3.718 673 3HG1 VAL 86 3HG1 VAL 86 -0.535 5.785 5.063 674 1HG2 VAL 86 1HG2 VAL 86 -1.510 3.368 4.620 675 2HG2 VAL 86 2HG2 VAL 86 -1.186 2.650 3.041 676 3HG2 VAL 86 3HG2 VAL 86 0.170 2.965 4.114 677 H THR 87 H THR 87 -3.685 7.321 2.857 678 HA THR 87 HA THR 87 -2.347 8.720 0.603 679 HB THR 87 HB THR 87 -4.110 7.359 -0.202 680 HG1 THR 87 1HG THR 87 -4.291 9.330 -1.266 681 1HG2 THR 87 1HG2 THR 87 -5.437 6.866 1.759 682 2HG2 THR 87 2HG2 THR 87 -5.972 8.570 1.863 683 3HG2 THR 87 3HG2 THR 87 -6.450 7.552 0.491 684 H ALA 88 H ALA 88 -3.260 10.890 0.155 685 HA ALA 88 HA ALA 88 -3.555 12.591 2.552 686 1HB ALA 88 1HB ALA 88 -3.927 13.163 -0.437 687 2HB ALA 88 2HB ALA 88 -3.821 14.382 0.846 688 3HB ALA 88 3HB ALA 88 -2.405 13.383 0.458 689 H GLU 89 H GLU 89 -5.677 10.825 0.330 690 HA GLU 89 HA GLU 89 -7.883 12.634 0.408 691 1HB GLU 89 1HB GLU 89 -7.473 9.752 -0.473 692 2HB GLU 89 2HB GLU 89 -9.053 10.510 -0.538 693 1HG GLU 89 1HG GLU 89 -6.722 11.943 -1.819 694 2HG GLU 89 2HG GLU 89 -7.449 10.561 -2.639 695 H ALA 90 H ALA 90 -8.607 13.086 2.530 696 HA ALA 90 HA ALA 90 -9.670 10.909 4.183 697 1HB ALA 90 1HB ALA 90 -10.264 13.877 4.280 698 2HB ALA 90 2HB ALA 90 -10.624 12.665 5.528 699 3HB ALA 90 3HB ALA 90 -8.937 13.073 5.170 700 H LYS 91 H LYS 91 -10.516 11.039 1.303 701 HA LYS 91 HA LYS 91 -13.158 12.261 1.212 702 1HB LYS 91 1HB LYS 91 -11.561 12.041 -0.788 703 2HB LYS 91 2HB LYS 91 -11.943 10.335 -0.746 704 1HG LYS 91 1HG LYS 91 -13.554 10.932 -2.247 705 2HG LYS 91 2HG LYS 91 -14.489 11.278 -0.799 706 1HD LYS 91 1HD LYS 91 -12.921 13.208 -2.551 707 2HD LYS 91 2HD LYS 91 -14.680 13.141 -2.358 708 1HE LYS 91 1HE LYS 91 -14.461 13.915 0.001 709 2HE LYS 91 2HE LYS 91 -12.695 13.877 -0.168 710 1HZ LYS 91 1HZ LYS 91 -13.004 15.538 -1.980 711 2HZ LYS 91 2HZ LYS 91 -14.569 15.726 -1.433 712 3HZ LYS 91 3HZ LYS 91 -13.330 16.073 -0.454 713 H LYS 92 H LYS 92 -14.483 11.364 2.655 714 HA LYS 92 HA LYS 92 -15.014 8.955 3.609 715 1HB LYS 92 1HB LYS 92 -17.535 9.444 3.175 716 2HB LYS 92 2HB LYS 92 -16.623 10.593 4.129 717 1HG LYS 92 1HG LYS 92 -16.834 12.287 2.616 718 2HG LYS 92 2HG LYS 92 -16.590 11.252 1.230 719 1HD LYS 92 1HD LYS 92 -18.705 12.029 0.940 720 2HD LYS 92 2HD LYS 92 -18.949 10.383 1.523 721 1HE LYS 92 1HE LYS 92 -19.534 11.194 3.746 722 2HE LYS 92 2HE LYS 92 -19.057 12.844 3.318 723 1HZ LYS 92 1HZ LYS 92 -21.290 11.332 2.124 724 2HZ LYS 92 2HZ LYS 92 -21.426 12.654 3.107 725 3HZ LYS 92 3HZ LYS 92 -20.803 12.784 1.593 726 H GLU 93 H GLU 93 -16.497 9.706 0.362 727 HA GLU 93 HA GLU 93 -17.354 7.048 0.090 728 1HB GLU 93 1HB GLU 93 -17.005 9.386 -1.796 729 2HB GLU 93 2HB GLU 93 -17.438 7.804 -2.466 730 1HG GLU 93 1HG GLU 93 -19.480 7.693 -1.357 731 2HG GLU 93 2HG GLU 93 -18.978 8.794 -0.078 732 H ASN 94 H ASN 94 -14.176 8.394 -0.746 733 HA ASN 94 HA ASN 94 -13.298 6.164 -2.366 734 1HB ASN 94 1HB ASN 94 -11.627 7.875 -0.468 735 2HB ASN 94 2HB ASN 94 -11.041 6.693 -1.600 736 1HD2 ASN 94 1HD2 ASN 94 -9.786 8.851 -1.735 737 2HD2 ASN 94 2HD2 ASN 94 -10.239 9.955 -2.989 738 H ILE 95 H ILE 95 -13.231 6.963 1.114 739 HA ILE 95 HA ILE 95 -11.725 4.705 1.995 740 HB ILE 95 HB ILE 95 -13.648 6.648 3.384 741 1HG1 ILE 95 1HG1 ILE 95 -10.745 6.253 4.080 742 2HG1 ILE 95 2HG1 ILE 95 -11.122 7.078 2.569 743 1HG2 ILE 95 1HG2 ILE 95 -12.114 4.315 4.607 744 2HG2 ILE 95 2HG2 ILE 95 -12.835 5.636 5.551 745 3HG2 ILE 95 3HG2 ILE 95 -13.871 4.544 4.628 746 1HD1 ILE 95 1HD1 ILE 95 -12.067 8.001 5.303 747 2HD1 ILE 95 2HD1 ILE 95 -10.793 8.730 4.296 748 3HD1 ILE 95 3HD1 ILE 95 -12.469 8.759 3.749 749 H ILE 96 H ILE 96 -15.259 5.328 1.752 750 HA ILE 96 HA ILE 96 -16.151 2.760 2.630 751 HB ILE 96 HB ILE 96 -17.424 4.852 0.825 752 1HG1 ILE 96 1HG1 ILE 96 -19.209 4.578 2.771 753 2HG1 ILE 96 2HG1 ILE 96 -17.893 3.823 3.661 754 1HG2 ILE 96 1HG2 ILE 96 -18.251 2.775 -0.102 755 2HG2 ILE 96 2HG2 ILE 96 -18.609 2.158 1.530 756 3HG2 ILE 96 3HG2 ILE 96 -19.514 3.529 0.842 757 1HD1 ILE 96 1HD1 ILE 96 -16.604 5.877 3.528 758 2HD1 ILE 96 2HD1 ILE 96 -17.836 6.610 2.446 759 3HD1 ILE 96 3HD1 ILE 96 -18.216 6.251 4.127 760 H ALA 97 H ALA 97 -15.557 3.971 -0.750 761 HA ALA 97 HA ALA 97 -16.239 1.594 -2.014 762 1HB ALA 97 1HB ALA 97 -14.234 3.733 -2.841 763 2HB ALA 97 2HB ALA 97 -14.929 2.498 -3.919 764 3HB ALA 97 3HB ALA 97 -15.972 3.719 -3.164 765 H ALA 98 H ALA 98 -13.063 2.572 -0.725 766 HA ALA 98 HA ALA 98 -11.572 0.276 -1.583 767 1HB ALA 98 1HB ALA 98 -10.441 2.279 -0.887 768 2HB ALA 98 2HB ALA 98 -11.237 2.242 0.703 769 3HB ALA 98 3HB ALA 98 -10.027 1.012 0.265 770 H ALA 99 H ALA 99 -13.173 1.044 1.573 771 HA ALA 99 HA ALA 99 -12.561 -1.433 2.816 772 1HB ALA 99 1HB ALA 99 -13.423 0.590 3.993 773 2HB ALA 99 2HB ALA 99 -14.981 0.410 3.190 774 3HB ALA 99 3HB ALA 99 -14.425 -0.827 4.345 775 H GLN 100 H GLN 100 -15.270 -0.474 0.724 776 HA GLN 100 HA GLN 100 -16.762 -2.886 0.829 777 1HB GLN 100 1HB GLN 100 -16.555 -0.580 -1.158 778 2HB GLN 100 2HB GLN 100 -17.587 -1.944 -1.484 779 1HG GLN 100 1HG GLN 100 -17.805 -0.094 0.921 780 2HG GLN 100 2HG GLN 100 -18.847 -0.101 -0.497 781 1HE2 GLN 100 1HE2 GLN 100 -19.880 -0.397 2.150 782 2HE2 GLN 100 2HE2 GLN 100 -20.277 -2.062 2.494 783 H ALA 101 H ALA 101 -14.302 -1.774 -1.571 784 HA ALA 101 HA ALA 101 -14.366 -4.166 -3.138 785 1HB ALA 101 1HB ALA 101 -13.574 -2.029 -4.036 786 2HB ALA 101 2HB ALA 101 -12.298 -1.956 -2.820 787 3HB ALA 101 3HB ALA 101 -12.258 -3.214 -4.078 788 H GLY 102 H GLY 102 -12.984 -3.587 -0.020 789 1HA GLY 102 1HA GLY 102 -12.175 -5.316 1.340 790 2HA GLY 102 2HA GLY 102 -11.779 -6.284 -0.084 791 H ALA 103 H ALA 103 -10.798 -2.847 0.323 792 HA ALA 103 HA ALA 103 -8.040 -3.475 -0.178 793 1HB ALA 103 1HB ALA 103 -9.385 -1.117 -0.256 794 2HB ALA 103 2HB ALA 103 -8.665 -0.959 1.338 795 3HB ALA 103 3HB ALA 103 -7.632 -1.223 -0.088 796 H SER 104 H SER 104 -6.274 -3.558 1.339 797 HA SER 104 HA SER 104 -7.043 -4.981 3.714 798 1HB SER 104 1HB SER 104 -4.686 -5.205 4.131 799 2HB SER 104 2HB SER 104 -5.071 -5.598 2.452 800 HG SER 104 HG SER 104 -4.338 -3.430 1.926 801 H GLY 105 H GLY 105 -6.881 -1.601 3.220 802 1HA GLY 105 1HA GLY 105 -7.847 -0.880 5.632 803 2HA GLY 105 2HA GLY 105 -6.090 -0.843 5.915 804 H TYR 106 H TYR 106 -7.577 1.507 6.069 805 HA TYR 106 HA TYR 106 -6.549 3.041 3.774 806 1HB TYR 106 1HB TYR 106 -9.049 2.337 3.633 807 2HB TYR 106 2HB TYR 106 -9.330 3.548 4.855 808 HD1 TYR 106 1HD TYR 106 -8.047 5.989 4.177 809 HD2 TYR 106 2HD TYR 106 -9.289 2.884 1.485 810 HE1 TYR 106 1HE TYR 106 -8.267 7.642 2.360 811 HE2 TYR 106 2HE TYR 106 -9.577 4.532 -0.325 812 HH TYR 106 HH TYR 106 -9.066 6.693 -0.992 813 H VAL 107 H VAL 107 -4.917 3.779 5.005 814 HA VAL 107 HA VAL 107 -5.538 5.476 7.390 815 HB VAL 107 HB VAL 107 -3.047 4.185 6.281 816 1HG1 VAL 107 1HG1 VAL 107 -3.132 6.539 8.204 817 2HG1 VAL 107 2HG1 VAL 107 -1.706 5.534 7.887 818 3HG1 VAL 107 3HG1 VAL 107 -2.382 6.541 6.599 819 1HG2 VAL 107 1HG2 VAL 107 -4.323 4.449 9.057 820 2HG2 VAL 107 2HG2 VAL 107 -4.432 3.031 8.003 821 3HG2 VAL 107 3HG2 VAL 107 -2.879 3.518 8.698 822 H VAL 108 H VAL 108 -5.330 7.664 7.263 823 HA VAL 108 HA VAL 108 -4.776 8.833 4.623 824 HB VAL 108 HB VAL 108 -6.620 10.054 6.705 825 1HG1 VAL 108 1HG1 VAL 108 -7.377 11.421 4.825 826 2HG1 VAL 108 2HG1 VAL 108 -5.644 11.589 4.968 827 3HG1 VAL 108 3HG1 VAL 108 -6.313 10.539 3.704 828 1HG2 VAL 108 1HG2 VAL 108 -7.450 8.375 4.305 829 2HG2 VAL 108 2HG2 VAL 108 -7.753 7.987 6.019 830 3HG2 VAL 108 3HG2 VAL 108 -8.544 9.371 5.287 831 H LYS 109 H LYS 109 -3.604 10.865 4.900 832 HA LYS 109 HA LYS 109 -1.858 11.315 7.164 833 1HB LYS 109 1HB LYS 109 -1.475 12.223 4.881 834 2HB LYS 109 2HB LYS 109 -3.000 13.103 4.970 835 1HG LYS 109 1HG LYS 109 -1.300 14.697 5.321 836 2HG LYS 109 2HG LYS 109 -2.078 14.434 6.875 837 1HD LYS 109 1HD LYS 109 0.106 14.495 7.487 838 2HD LYS 109 2HD LYS 109 -0.088 12.744 7.283 839 1HE LYS 109 1HE LYS 109 1.011 12.736 5.179 840 2HE LYS 109 2HE LYS 109 0.999 14.514 5.079 841 1HZ LYS 109 1HZ LYS 109 3.123 13.469 5.892 842 2HZ LYS 109 2HZ LYS 109 2.494 14.678 6.810 843 3HZ LYS 109 3HZ LYS 109 2.322 13.137 7.317 844 HA PRO 110 HA PRO 110 -1.217 12.625 8.951 845 1HB PRO 110 1HB PRO 110 -1.512 12.827 11.615 846 2HB PRO 110 2HB PRO 110 -1.710 14.242 10.530 847 1HG PRO 110 1HG PRO 110 -3.885 12.506 11.717 848 2HG PRO 110 2HG PRO 110 -3.772 14.299 11.669 849 1HD PRO 110 1HD PRO 110 -5.183 12.838 9.820 850 2HD PRO 110 2HD PRO 110 -4.393 14.379 9.417 851 H PHE 111 H PHE 111 0.052 10.959 10.104 852 HA PHE 111 HA PHE 111 -1.095 8.679 11.345 853 1HB PHE 111 1HB PHE 111 -0.872 7.068 9.619 854 2HB PHE 111 2HB PHE 111 -1.903 8.288 8.969 855 HD1 PHE 111 1HD PHE 111 1.518 6.763 8.849 856 HD2 PHE 111 2HD PHE 111 -1.303 9.342 6.891 857 HE1 PHE 111 1HE PHE 111 2.919 6.769 6.801 858 HE2 PHE 111 2HE PHE 111 0.116 9.385 4.861 859 HZ PHE 111 HZ PHE 111 2.253 8.104 4.825 860 H THR 112 H THR 112 0.564 7.147 11.884 861 HA THR 112 HA THR 112 3.375 7.893 11.404 862 HB THR 112 HB THR 112 3.486 7.805 14.031 863 HG1 THR 112 1HG THR 112 1.658 8.204 15.096 864 1HG2 THR 112 1HG2 THR 112 4.075 9.698 12.582 865 2HG2 THR 112 2HG2 THR 112 2.397 10.276 12.703 866 3HG2 THR 112 3HG2 THR 112 3.419 10.150 14.158 867 H ALA 113 H ALA 113 4.626 6.405 13.301 868 HA ALA 113 HA ALA 113 4.586 3.761 12.264 869 1HB ALA 113 1HB ALA 113 6.056 3.215 14.144 870 2HB ALA 113 2HB ALA 113 6.573 4.739 13.414 871 3HB ALA 113 3HB ALA 113 5.670 4.735 14.940 872 H ALA 114 H ALA 114 3.024 5.338 15.027 873 HA ALA 114 HA ALA 114 1.724 3.388 16.374 874 1HB ALA 114 1HB ALA 114 0.037 5.124 16.837 875 2HB ALA 114 2HB ALA 114 1.646 5.868 16.700 876 3HB ALA 114 3HB ALA 114 0.485 5.994 15.366 877 H THR 115 H THR 115 0.858 4.357 13.071 878 HA THR 115 HA THR 115 -1.353 2.359 13.171 879 HB THR 115 HB THR 115 -1.809 4.884 12.705 880 HG1 THR 115 1HG THR 115 -3.586 3.934 12.238 881 1HG2 THR 115 1HG2 THR 115 -1.954 5.402 10.345 882 2HG2 THR 115 2HG2 THR 115 -0.256 5.282 10.896 883 3HG2 THR 115 3HG2 THR 115 -0.992 3.986 9.933 884 H LEU 116 H LEU 116 1.772 3.120 11.777 885 HA LEU 116 HA LEU 116 1.637 1.322 9.535 886 1HB LEU 116 1HB LEU 116 3.522 2.989 10.230 887 2HB LEU 116 2HB LEU 116 4.074 1.700 11.287 888 HG LEU 116 HG LEU 116 5.362 1.653 9.298 889 1HD1 LEU 116 1HD1 LEU 116 3.434 -0.643 8.915 890 2HD1 LEU 116 2HD1 LEU 116 5.161 -0.561 8.551 891 3HD1 LEU 116 3HD1 LEU 116 4.640 -0.564 10.228 892 1HD2 LEU 116 1HD2 LEU 116 4.500 1.439 7.050 893 2HD2 LEU 116 2HD2 LEU 116 2.831 1.384 7.630 894 3HD2 LEU 116 3HD2 LEU 116 3.803 2.875 7.805 895 H GLU 117 H GLU 117 2.661 0.829 12.947 896 HA GLU 117 HA GLU 117 2.927 -1.962 12.878 897 1HB GLU 117 1HB GLU 117 2.728 -1.822 15.321 898 2HB GLU 117 2HB GLU 117 3.816 -0.634 14.650 899 1HG GLU 117 1HG GLU 117 2.788 1.014 15.665 900 2HG GLU 117 2HG GLU 117 1.247 0.628 14.909 901 H GLU 118 H GLU 118 -0.011 -0.015 13.685 902 HA GLU 118 HA GLU 118 -1.520 -2.348 14.265 903 1HB GLU 118 1HB GLU 118 -2.119 -0.085 15.074 904 2HB GLU 118 2HB GLU 118 -2.579 0.378 13.415 905 1HG GLU 118 1HG GLU 118 -4.231 -1.427 13.349 906 2HG GLU 118 2HG GLU 118 -3.766 -1.999 14.939 907 H LYS 119 H LYS 119 -1.073 -0.551 11.179 908 HA LYS 119 HA LYS 119 -2.984 -2.085 9.659 909 1HB LYS 119 1HB LYS 119 -0.473 -0.633 8.858 910 2HB LYS 119 2HB LYS 119 -1.534 -1.482 7.721 911 1HG LYS 119 1HG LYS 119 -3.377 0.020 8.168 912 2HG LYS 119 2HG LYS 119 -2.481 0.878 9.410 913 1HD LYS 119 1HD LYS 119 -1.459 0.647 6.542 914 2HD LYS 119 2HD LYS 119 -2.561 1.908 7.053 915 1HE LYS 119 1HE LYS 119 -0.837 2.335 8.954 916 2HE LYS 119 2HE LYS 119 0.266 1.332 8.018 917 1HZ LYS 119 1HZ LYS 119 0.554 3.666 7.498 918 2HZ LYS 119 2HZ LYS 119 -0.031 2.893 6.162 919 3HZ LYS 119 3HZ LYS 119 -1.024 3.823 7.083 920 H LEU 120 H LEU 120 0.479 -2.596 10.515 921 HA LEU 120 HA LEU 120 0.790 -5.009 8.983 922 1HB LEU 120 1HB LEU 120 2.211 -4.170 11.539 923 2HB LEU 120 2HB LEU 120 2.579 -5.605 10.608 924 HG LEU 120 HG LEU 120 2.889 -2.750 9.635 925 1HD1 LEU 120 1HD1 LEU 120 5.299 -3.236 9.729 926 2HD1 LEU 120 2HD1 LEU 120 4.560 -3.442 11.315 927 3HD1 LEU 120 3HD1 LEU 120 4.959 -4.873 10.347 928 1HD2 LEU 120 1HD2 LEU 120 2.358 -4.104 7.703 929 2HD2 LEU 120 2HD2 LEU 120 4.085 -3.754 7.691 930 3HD2 LEU 120 3HD2 LEU 120 3.517 -5.357 8.205 931 H ASN 121 H ASN 121 -0.154 -4.515 12.468 932 HA ASN 121 HA ASN 121 -0.705 -7.219 12.938 933 1HB ASN 121 1HB ASN 121 -0.673 -5.500 14.713 934 2HB ASN 121 2HB ASN 121 -2.235 -4.885 14.140 935 1HD2 ASN 121 1HD2 ASN 121 -3.899 -5.662 15.529 936 2HD2 ASN 121 2HD2 ASN 121 -3.916 -7.289 16.176 937 H LYS 122 H LYS 122 -2.804 -4.819 11.454 938 HA LYS 122 HA LYS 122 -5.188 -6.252 11.040 939 1HB LYS 122 1HB LYS 122 -4.047 -3.862 10.042 940 2HB LYS 122 2HB LYS 122 -4.397 -4.821 8.624 941 1HG LYS 122 1HG LYS 122 -6.310 -3.572 8.907 942 2HG LYS 122 2HG LYS 122 -6.749 -5.145 9.579 943 1HD LYS 122 1HD LYS 122 -7.580 -3.365 10.986 944 2HD LYS 122 2HD LYS 122 -6.335 -4.246 11.873 945 1HE LYS 122 1HE LYS 122 -4.760 -2.479 11.676 946 2HE LYS 122 2HE LYS 122 -5.595 -1.720 10.327 947 1HZ LYS 122 1HZ LYS 122 -7.342 -1.011 11.786 948 2HZ LYS 122 2HZ LYS 122 -6.790 -1.936 13.023 949 3HZ LYS 122 3HZ LYS 122 -5.962 -0.615 12.559 950 H ILE 123 H ILE 123 -2.472 -6.081 8.661 951 HA ILE 123 HA ILE 123 -3.706 -8.319 7.277 952 HB ILE 123 HB ILE 123 -1.762 -8.087 5.711 953 1HG1 ILE 123 1HG1 ILE 123 -0.682 -6.360 7.804 954 2HG1 ILE 123 2HG1 ILE 123 0.091 -7.087 6.430 955 1HG2 ILE 123 1HG2 ILE 123 -2.765 -6.043 4.774 956 2HG2 ILE 123 2HG2 ILE 123 -3.992 -7.121 5.420 957 3HG2 ILE 123 3HG2 ILE 123 -3.521 -5.676 6.335 958 1HD1 ILE 123 1HD1 ILE 123 0.235 -4.606 6.477 959 2HD1 ILE 123 2HD1 ILE 123 -0.578 -5.199 5.011 960 3HD1 ILE 123 3HD1 ILE 123 -1.512 -4.483 6.344 961 H PHE 124 H PHE 124 -1.237 -8.201 9.714 962 HA PHE 124 HA PHE 124 -0.055 -10.767 9.253 963 1HB PHE 124 1HB PHE 124 -0.409 -8.972 11.652 964 2HB PHE 124 2HB PHE 124 0.208 -10.594 11.815 965 HD1 PHE 124 1HD PHE 124 1.159 -8.401 8.890 966 HD2 PHE 124 2HD PHE 124 2.327 -10.065 12.699 967 HE1 PHE 124 1HE PHE 124 3.472 -7.658 8.511 968 HE2 PHE 124 2HE PHE 124 4.638 -9.253 12.332 969 HZ PHE 124 HZ PHE 124 5.210 -8.022 10.266 970 H GLU 125 H GLU 125 -2.934 -9.745 11.300 971 HA GLU 125 HA GLU 125 -3.522 -12.573 11.772 972 1HB GLU 125 1HB GLU 125 -5.087 -10.012 12.244 973 2HB GLU 125 2HB GLU 125 -5.633 -11.603 12.764 974 1HG GLU 125 1HG GLU 125 -2.985 -10.380 13.672 975 2HG GLU 125 2HG GLU 125 -4.504 -10.165 14.535 976 H LYS 126 H LYS 126 -4.704 -10.021 9.603 977 HA LYS 126 HA LYS 126 -7.043 -11.470 8.791 978 1HB LYS 126 1HB LYS 126 -6.675 -8.970 8.686 979 2HB LYS 126 2HB LYS 126 -5.723 -9.212 7.232 980 1HG LYS 126 1HG LYS 126 -8.680 -9.537 7.714 981 2HG LYS 126 2HG LYS 126 -7.821 -8.488 6.593 982 1HD LYS 126 1HD LYS 126 -7.173 -10.911 5.523 983 2HD LYS 126 2HD LYS 126 -8.709 -11.320 6.259 984 1HE LYS 126 1HE LYS 126 -8.136 -9.045 4.300 985 2HE LYS 126 2HE LYS 126 -8.883 -10.589 3.884 986 1HZ LYS 126 1HZ LYS 126 -10.798 -10.014 5.152 987 2HZ LYS 126 2HZ LYS 126 -10.076 -8.669 5.806 988 3HZ LYS 126 3HZ LYS 126 -10.441 -8.712 4.221 989 H LEU 127 H LEU 127 -4.326 -10.564 6.549 990 HA LEU 127 HA LEU 127 -4.918 -12.645 4.717 991 1HB LEU 127 1HB LEU 127 -2.157 -11.427 5.070 992 2HB LEU 127 2HB LEU 127 -2.915 -12.042 3.607 993 HG LEU 127 HG LEU 127 -3.581 -9.470 5.090 994 1HD1 LEU 127 1HD1 LEU 127 -2.846 -8.442 2.913 995 2HD1 LEU 127 2HD1 LEU 127 -1.540 -9.277 3.792 996 3HD1 LEU 127 3HD1 LEU 127 -2.302 -10.039 2.402 997 1HD2 LEU 127 1HD2 LEU 127 -5.648 -10.438 4.130 998 2HD2 LEU 127 2HD2 LEU 127 -5.178 -8.932 3.353 999 3HD2 LEU 127 3HD2 LEU 127 -4.867 -10.494 2.549 1000 H GLY 128 H GLY 128 -2.693 -12.355 7.453 1001 1HA GLY 128 1HA GLY 128 -1.772 -14.242 8.704 1002 2HA GLY 128 2HA GLY 128 -1.975 -15.250 7.272 1003 H MET 129 H MET 129 -0.769 -11.842 7.588 1004 HA MET 129 HA MET 129 1.164 -12.287 5.564 1005 1HB MET 129 2HB MET 129 0.364 -10.011 7.160 1006 2HB MET 129 3HB MET 129 2.124 -10.102 7.134 1007 1HG MET 129 2HG MET 129 0.343 -10.314 4.689 1008 2HG MET 129 3HG MET 129 1.116 -8.815 5.224 1009 1HE MET 129 1HE MET 129 1.257 -10.285 2.384 1010 2HE MET 129 2HE MET 129 2.161 -8.765 2.566 1011 3HE MET 129 3HE MET 129 2.964 -10.206 1.911 Start of MODEL 27 1 1H MET 1 H MET 1 22.903 -19.420 0.713 2 2H MET 1 2HN MET 1 24.018 -18.390 1.341 3 3H MET 1 3HN MET 1 23.455 -19.649 2.247 4 HA MET 1 HA MET 1 21.270 -18.704 2.314 5 1HB MET 1 2HB MET 1 23.477 -16.746 3.063 6 2HB MET 1 3HB MET 1 21.780 -16.513 3.482 7 1HG MET 1 2HG MET 1 21.760 -18.405 4.923 8 2HG MET 1 3HG MET 1 23.335 -18.956 4.344 9 1HE MET 1 1HE MET 1 24.448 -19.239 6.556 10 2HE MET 1 2HE MET 1 24.419 -18.053 7.880 11 3HE MET 1 3HE MET 1 22.914 -18.861 7.372 12 H ALA 2 H ALA 2 19.755 -17.471 1.316 13 HA ALA 2 HA ALA 2 20.436 -14.918 0.263 14 1HB ALA 2 1HB ALA 2 20.646 -16.347 -1.811 15 2HB ALA 2 2HB ALA 2 18.969 -16.878 -1.561 16 3HB ALA 2 3HB ALA 2 19.322 -15.174 -1.899 17 H ASP 3 H ASP 3 18.089 -13.956 -0.377 18 HA ASP 3 HA ASP 3 16.083 -15.043 1.556 19 1HB ASP 3 1HB ASP 3 17.009 -12.155 1.350 20 2HB ASP 3 2HB ASP 3 15.518 -12.648 2.144 21 H LYS 4 H LYS 4 14.007 -14.512 1.143 22 HA LYS 4 HA LYS 4 12.905 -14.303 -1.441 23 1HB LYS 4 1HB LYS 4 11.952 -13.484 1.341 24 2HB LYS 4 2HB LYS 4 10.917 -13.344 -0.059 25 1HG LYS 4 1HG LYS 4 12.197 -16.020 0.693 26 2HG LYS 4 2HG LYS 4 10.715 -15.427 1.435 27 1HD LYS 4 1HD LYS 4 9.982 -15.050 -1.117 28 2HD LYS 4 2HD LYS 4 11.176 -16.315 -1.410 29 1HE LYS 4 1HE LYS 4 9.955 -17.914 -0.169 30 2HE LYS 4 2HE LYS 4 9.141 -16.676 0.802 31 1HZ LYS 4 1HZ LYS 4 7.817 -16.074 -1.062 32 2HZ LYS 4 2HZ LYS 4 8.545 -17.134 -2.052 33 3HZ LYS 4 3HZ LYS 4 7.650 -17.690 -0.775 34 H GLU 5 H GLU 5 14.082 -11.814 0.765 35 HA GLU 5 HA GLU 5 13.897 -9.557 0.844 36 1HB GLU 5 1HB GLU 5 14.761 -9.872 -2.050 37 2HB GLU 5 2HB GLU 5 14.752 -8.352 -1.135 38 1HG GLU 5 1HG GLU 5 16.268 -9.361 0.562 39 2HG GLU 5 2HG GLU 5 16.294 -10.858 -0.366 40 H LEU 6 H LEU 6 11.674 -10.364 1.138 41 HA LEU 6 HA LEU 6 9.549 -10.239 -0.675 42 1HB LEU 6 1HB LEU 6 9.369 -11.318 1.468 43 2HB LEU 6 2HB LEU 6 9.670 -9.812 2.330 44 HG LEU 6 HG LEU 6 7.438 -9.436 0.476 45 1HD1 LEU 6 1HD1 LEU 6 7.129 -11.771 2.377 46 2HD1 LEU 6 2HD1 LEU 6 5.800 -10.961 1.522 47 3HD1 LEU 6 3HD1 LEU 6 7.052 -11.801 0.600 48 1HD2 LEU 6 1HD2 LEU 6 7.572 -9.431 3.515 49 2HD2 LEU 6 2HD2 LEU 6 7.893 -8.053 2.448 50 3HD2 LEU 6 3HD2 LEU 6 6.263 -8.737 2.517 51 H LYS 7 H LYS 7 9.059 -8.593 -1.882 52 HA LYS 7 HA LYS 7 10.254 -6.035 -1.232 53 1HB LYS 7 1HB LYS 7 10.007 -7.342 -3.553 54 2HB LYS 7 2HB LYS 7 8.454 -6.537 -3.629 55 1HG LYS 7 1HG LYS 7 9.880 -5.053 -4.767 56 2HG LYS 7 2HG LYS 7 9.774 -4.339 -3.156 57 1HD LYS 7 1HD LYS 7 12.085 -4.278 -3.825 58 2HD LYS 7 2HD LYS 7 11.953 -5.550 -2.605 59 1HE LYS 7 1HE LYS 7 11.369 -6.694 -5.187 60 2HE LYS 7 2HE LYS 7 12.804 -5.712 -5.378 61 1HZ LYS 7 1HZ LYS 7 13.193 -8.088 -4.677 62 2HZ LYS 7 2HZ LYS 7 13.924 -6.999 -3.694 63 3HZ LYS 7 3HZ LYS 7 12.553 -7.754 -3.210 64 H PHE 8 H PHE 8 9.201 -4.064 -0.789 65 HA PHE 8 HA PHE 8 6.233 -4.105 -0.367 66 1HB PHE 8 1HB PHE 8 8.589 -2.953 1.092 67 2HB PHE 8 2HB PHE 8 7.171 -1.925 0.968 68 HD1 PHE 8 1HD PHE 8 5.555 -2.033 2.580 69 HD2 PHE 8 2HD PHE 8 8.107 -5.455 1.994 70 HE1 PHE 8 1HE PHE 8 4.439 -3.172 4.472 71 HE2 PHE 8 2HE PHE 8 7.010 -6.568 3.934 72 HZ PHE 8 HZ PHE 8 5.165 -5.446 5.143 73 H LEU 9 H LEU 9 5.487 -3.379 -2.454 74 HA LEU 9 HA LEU 9 6.954 -1.231 -3.819 75 1HB LEU 9 1HB LEU 9 5.535 -2.981 -5.040 76 2HB LEU 9 2HB LEU 9 4.120 -2.213 -4.334 77 HG LEU 9 HG LEU 9 4.899 -0.029 -5.418 78 1HD1 LEU 9 1HD1 LEU 9 6.422 -0.355 -7.435 79 2HD1 LEU 9 2HD1 LEU 9 7.193 -0.418 -5.865 80 3HD1 LEU 9 3HD1 LEU 9 6.870 -1.928 -6.753 81 1HD2 LEU 9 1HD2 LEU 9 4.321 -2.307 -7.326 82 2HD2 LEU 9 2HD2 LEU 9 3.100 -1.423 -6.367 83 3HD2 LEU 9 3HD2 LEU 9 4.045 -0.573 -7.597 84 H VAL 10 H VAL 10 6.567 0.941 -3.556 85 HA VAL 10 HA VAL 10 4.215 1.831 -1.949 86 HB VAL 10 HB VAL 10 7.075 2.849 -1.695 87 1HG1 VAL 10 1HG1 VAL 10 6.211 4.176 0.183 88 2HG1 VAL 10 2HG1 VAL 10 5.359 4.603 -1.303 89 3HG1 VAL 10 3HG1 VAL 10 4.564 3.568 -0.112 90 1HG2 VAL 10 1HG2 VAL 10 6.889 0.668 -0.589 91 2HG2 VAL 10 2HG2 VAL 10 6.985 1.946 0.619 92 3HG2 VAL 10 3HG2 VAL 10 5.417 1.185 0.255 93 H VAL 11 H VAL 11 2.962 3.012 -3.295 94 HA VAL 11 HA VAL 11 4.236 4.770 -5.335 95 HB VAL 11 HB VAL 11 1.642 3.231 -5.726 96 1HG1 VAL 11 1HG1 VAL 11 2.124 3.689 -8.102 97 2HG1 VAL 11 2HG1 VAL 11 2.023 5.194 -7.183 98 3HG1 VAL 11 3HG1 VAL 11 3.607 4.556 -7.659 99 1HG2 VAL 11 1HG2 VAL 11 4.449 2.331 -6.456 100 2HG2 VAL 11 2HG2 VAL 11 3.230 1.481 -5.459 101 3HG2 VAL 11 3HG2 VAL 11 2.970 1.679 -7.180 102 H ASP 12 H ASP 12 4.016 6.168 -3.280 103 HA ASP 12 HA ASP 12 1.318 7.230 -2.828 104 1HB ASP 12 1HB ASP 12 3.383 7.244 -1.155 105 2HB ASP 12 2HB ASP 12 3.789 8.739 -2.007 106 H ASP 13 H ASP 13 0.792 9.497 -3.346 107 HA ASP 13 HA ASP 13 1.503 10.421 -5.987 108 1HB ASP 13 1HB ASP 13 -0.659 11.024 -4.987 109 2HB ASP 13 2HB ASP 13 0.139 11.759 -3.604 110 H PHE 14 H PHE 14 2.319 11.347 -2.621 111 HA PHE 14 HA PHE 14 4.191 13.402 -3.600 112 1HB PHE 14 1HB PHE 14 2.559 13.838 -1.735 113 2HB PHE 14 2HB PHE 14 3.322 12.593 -0.802 114 HD1 PHE 14 1HD PHE 14 3.602 14.232 1.062 115 HD2 PHE 14 2HD PHE 14 5.405 14.981 -2.779 116 HE1 PHE 14 1HE PHE 14 5.015 15.987 2.055 117 HE2 PHE 14 2HE PHE 14 6.792 16.756 -1.786 118 HZ PHE 14 HZ PHE 14 6.635 17.239 0.654 119 H SER 15 H SER 15 6.155 12.456 -4.304 120 HA SER 15 HA SER 15 7.136 10.007 -3.463 121 1HB SER 15 1HB SER 15 8.431 12.430 -4.645 122 2HB SER 15 2HB SER 15 9.478 11.177 -3.970 123 HG SER 15 HG SER 15 7.370 10.602 -5.801 124 H THR 16 H THR 16 7.801 13.168 -1.783 125 HA THR 16 HA THR 16 9.449 12.171 0.250 126 HB THR 16 HB THR 16 7.190 14.142 0.648 127 HG1 THR 16 1HG THR 16 8.295 15.076 -0.908 128 1HG2 THR 16 1HG2 THR 16 8.585 15.070 2.418 129 2HG2 THR 16 2HG2 THR 16 8.317 13.379 2.743 130 3HG2 THR 16 3HG2 THR 16 9.877 13.881 2.079 131 H MET 17 H MET 17 5.841 11.895 0.043 132 HA MET 17 HA MET 17 5.510 10.866 2.674 133 1HB MET 17 1HB MET 17 3.849 12.025 1.196 134 2HB MET 17 2HB MET 17 3.663 10.507 0.295 135 1HG MET 17 1HG MET 17 2.950 9.429 2.359 136 2HG MET 17 2HG MET 17 3.185 10.945 3.254 137 1HE MET 17 1HE MET 17 1.660 12.933 0.753 138 2HE MET 17 2HE MET 17 0.182 13.121 1.705 139 3HE MET 17 3HE MET 17 1.764 13.218 2.510 140 H ARG 18 H ARG 18 6.559 9.324 -0.388 141 HA ARG 18 HA ARG 18 6.050 6.611 0.484 142 1HB ARG 18 1HB ARG 18 8.176 7.665 -1.423 143 2HB ARG 18 2HB ARG 18 7.580 6.012 -1.307 144 1HG ARG 18 1HG ARG 18 5.385 6.729 -2.131 145 2HG ARG 18 2HG ARG 18 5.956 8.418 -2.216 146 1HD ARG 18 1HD ARG 18 7.712 7.742 -3.805 147 2HD ARG 18 2HD ARG 18 7.098 6.073 -3.756 148 HE ARG 18 HE ARG 18 4.984 7.923 -4.468 149 1HH1 ARG 18 2HH2 ARG 18 7.973 6.578 -5.800 150 2HH1 ARG 18 1HH2 ARG 18 7.326 6.496 -7.422 151 1HH2 ARG 18 2HH1 ARG 18 4.131 7.773 -6.582 152 2HH2 ARG 18 1HH1 ARG 18 5.079 6.966 -7.807 153 H ARG 19 H ARG 19 8.686 8.997 0.838 154 HA ARG 19 HA ARG 19 10.570 7.087 1.923 155 1HB ARG 19 1HB ARG 19 10.589 10.126 2.108 156 2HB ARG 19 2HB ARG 19 11.800 9.075 2.817 157 1HG ARG 19 1HG ARG 19 12.672 9.909 0.754 158 2HG ARG 19 2HG ARG 19 12.377 8.170 0.557 159 1HD ARG 19 1HD ARG 19 10.327 8.623 -0.635 160 2HD ARG 19 2HD ARG 19 10.434 10.342 -0.253 161 HE ARG 19 HE ARG 19 12.496 10.381 -1.724 162 1HH1 ARG 19 2HH2 ARG 19 10.120 7.861 -2.271 163 2HH1 ARG 19 1HH2 ARG 19 10.185 7.896 -3.989 164 1HH2 ARG 19 2HH1 ARG 19 12.633 10.528 -3.915 165 2HH2 ARG 19 1HH1 ARG 19 11.597 9.632 -4.994 166 H ILE 20 H ILE 20 8.115 9.315 3.258 167 HA ILE 20 HA ILE 20 8.463 8.736 5.993 168 HB ILE 20 HB ILE 20 6.081 9.636 4.395 169 1HG1 ILE 20 1HG1 ILE 20 6.076 11.454 6.090 170 2HG1 ILE 20 2HG1 ILE 20 7.455 10.710 6.887 171 1HG2 ILE 20 1HG2 ILE 20 5.014 8.050 5.891 172 2HG2 ILE 20 2HG2 ILE 20 5.920 8.681 7.277 173 3HG2 ILE 20 3HG2 ILE 20 4.680 9.669 6.454 174 1HD1 ILE 20 1HD1 ILE 20 8.104 12.620 5.461 175 2HD1 ILE 20 2HD1 ILE 20 8.823 11.135 4.823 176 3HD1 ILE 20 3HD1 ILE 20 7.365 11.828 4.062 177 H VAL 21 H VAL 21 6.076 7.063 3.783 178 HA VAL 21 HA VAL 21 5.419 4.980 5.439 179 HB VAL 21 HB VAL 21 5.858 4.965 2.419 180 1HG1 VAL 21 1HG1 VAL 21 4.455 2.824 4.075 181 2HG1 VAL 21 2HG1 VAL 21 4.430 2.963 2.297 182 3HG1 VAL 21 3HG1 VAL 21 5.938 2.619 3.113 183 1HG2 VAL 21 1HG2 VAL 21 4.056 6.478 3.280 184 2HG2 VAL 21 2HG2 VAL 21 3.440 5.186 2.259 185 3HG2 VAL 21 3HG2 VAL 21 3.274 5.068 4.021 186 H ARG 22 H ARG 22 8.285 4.952 3.246 187 HA ARG 22 HA ARG 22 9.281 2.405 3.990 188 1HB ARG 22 1HB ARG 22 10.054 3.796 2.048 189 2HB ARG 22 2HB ARG 22 10.834 4.907 3.178 190 1HG ARG 22 1HG ARG 22 12.193 2.906 4.029 191 2HG ARG 22 2HG ARG 22 11.513 1.979 2.703 192 1HD ARG 22 1HD ARG 22 12.504 3.611 1.083 193 2HD ARG 22 2HD ARG 22 13.183 4.529 2.429 194 HE ARG 22 HE ARG 22 14.135 2.011 1.315 195 1HH1 ARG 22 2HH2 ARG 22 14.366 4.153 4.175 196 2HH1 ARG 22 1HH2 ARG 22 15.774 3.345 4.776 197 1HH2 ARG 22 2HH1 ARG 22 15.758 0.826 2.255 198 2HH2 ARG 22 1HH1 ARG 22 16.538 1.346 3.701 199 H ASN 23 H ASN 23 9.888 5.629 5.468 200 HA ASN 23 HA ASN 23 11.769 4.698 7.406 201 1HB ASN 23 1HB ASN 23 11.449 7.114 6.751 202 2HB ASN 23 2HB ASN 23 9.894 7.109 7.593 203 1HD2 ASN 23 1HD2 ASN 23 10.096 8.023 9.679 204 2HD2 ASN 23 2HD2 ASN 23 11.510 7.789 10.681 205 H LEU 24 H LEU 24 8.221 5.005 7.450 206 HA LEU 24 HA LEU 24 7.938 4.271 10.219 207 1HB LEU 24 1HB LEU 24 5.955 3.904 7.944 208 2HB LEU 24 2HB LEU 24 5.593 3.851 9.671 209 HG LEU 24 HG LEU 24 6.605 6.305 8.177 210 1HD1 LEU 24 1HD1 LEU 24 3.846 5.602 9.160 211 2HD1 LEU 24 2HD1 LEU 24 4.362 7.164 8.455 212 3HD1 LEU 24 3HD1 LEU 24 4.404 5.693 7.480 213 1HD2 LEU 24 1HD2 LEU 24 5.901 7.480 10.313 214 2HD2 LEU 24 2HD2 LEU 24 6.024 5.877 11.083 215 3HD2 LEU 24 3HD2 LEU 24 7.425 6.609 10.319 216 H LEU 25 H LEU 25 7.981 2.348 7.185 217 HA LEU 25 HA LEU 25 7.644 -0.190 8.501 218 1HB LEU 25 1HB LEU 25 8.829 0.666 5.841 219 2HB LEU 25 2HB LEU 25 8.813 -1.023 6.328 220 HG LEU 25 HG LEU 25 6.239 0.589 6.414 221 1HD1 LEU 25 1HD1 LEU 25 7.330 -0.837 3.964 222 2HD1 LEU 25 2HD1 LEU 25 5.710 -0.111 4.145 223 3HD1 LEU 25 3HD1 LEU 25 7.146 0.919 4.165 224 1HD2 LEU 25 1HD2 LEU 25 5.219 -1.621 6.065 225 2HD2 LEU 25 2HD2 LEU 25 6.827 -2.373 5.943 226 3HD2 LEU 25 3HD2 LEU 25 6.276 -1.654 7.472 227 H LYS 26 H LYS 26 10.508 1.890 8.080 228 HA LYS 26 HA LYS 26 12.290 -0.155 9.161 229 1HB LYS 26 1HB LYS 26 12.616 2.857 8.935 230 2HB LYS 26 2HB LYS 26 13.842 1.781 9.570 231 1HG LYS 26 1HG LYS 26 12.736 1.116 6.838 232 2HG LYS 26 2HG LYS 26 13.731 2.554 6.986 233 1HD LYS 26 1HD LYS 26 15.099 0.663 6.326 234 2HD LYS 26 2HD LYS 26 15.586 1.252 7.920 235 1HE LYS 26 1HE LYS 26 14.290 -0.588 8.988 236 2HE LYS 26 2HE LYS 26 13.825 -1.185 7.387 237 1HZ LYS 26 1HZ LYS 26 15.704 -2.387 8.287 238 2HZ LYS 26 2HZ LYS 26 16.200 -1.577 6.956 239 3HZ LYS 26 3HZ LYS 26 16.578 -1.037 8.466 240 H GLU 27 H GLU 27 10.356 2.491 10.612 241 HA GLU 27 HA GLU 27 11.276 2.105 13.283 242 1HB GLU 27 1HB GLU 27 8.663 3.184 12.141 243 2HB GLU 27 2HB GLU 27 9.013 3.188 13.850 244 1HG GLU 27 1HG GLU 27 10.780 4.570 11.791 245 2HG GLU 27 2HG GLU 27 9.461 5.341 12.665 246 H LEU 28 H LEU 28 8.645 0.493 11.447 247 HA LEU 28 HA LEU 28 8.844 -1.898 12.979 248 1HB LEU 28 1HB LEU 28 6.334 -1.888 13.551 249 2HB LEU 28 2HB LEU 28 7.517 -1.130 14.604 250 HG LEU 28 HG LEU 28 6.931 1.085 13.545 251 1HD1 LEU 28 1HD1 LEU 28 5.681 0.753 11.628 252 2HD1 LEU 28 2HD1 LEU 28 4.677 -0.527 12.361 253 3HD1 LEU 28 3HD1 LEU 28 4.448 1.178 12.794 254 1HD2 LEU 28 1HD2 LEU 28 5.034 -0.509 15.280 255 2HD2 LEU 28 2HD2 LEU 28 6.335 0.625 15.749 256 3HD2 LEU 28 3HD2 LEU 28 4.850 1.234 15.033 257 H GLY 29 H GLY 29 9.191 -2.835 11.221 258 1HA GLY 29 1HA GLY 29 7.112 -4.109 9.868 259 2HA GLY 29 2HA GLY 29 7.513 -2.739 8.827 260 H PHE 30 H PHE 30 9.148 -2.936 7.420 261 HA PHE 30 HA PHE 30 10.847 -5.338 7.398 262 1HB PHE 30 1HB PHE 30 8.729 -4.669 5.312 263 2HB PHE 30 2HB PHE 30 9.904 -5.965 5.174 264 HD1 PHE 30 1HD PHE 30 9.683 -8.051 6.419 265 HD2 PHE 30 2HD PHE 30 6.814 -4.870 6.903 266 HE1 PHE 30 1HE PHE 30 8.080 -9.643 7.477 267 HE2 PHE 30 2HE PHE 30 5.238 -6.447 7.973 268 HZ PHE 30 HZ PHE 30 5.869 -8.842 8.256 269 H ASN 31 H ASN 31 11.813 -5.223 4.868 270 HA ASN 31 HA ASN 31 12.632 -2.456 4.289 271 1HB ASN 31 1HB ASN 31 14.965 -2.985 4.221 272 2HB ASN 31 2HB ASN 31 14.369 -3.397 5.813 273 1HD2 ASN 31 1HD2 ASN 31 14.594 -5.569 6.520 274 2HD2 ASN 31 2HD2 ASN 31 15.652 -6.611 5.607 275 H ASN 32 H ASN 32 14.266 -2.803 2.205 276 HA ASN 32 HA ASN 32 14.155 -2.898 -0.019 277 1HB ASN 32 1HB ASN 32 13.369 -5.772 0.508 278 2HB ASN 32 2HB ASN 32 13.533 -5.109 -1.105 279 1HD2 ASN 32 1HD2 ASN 32 15.331 -7.014 0.774 280 2HD2 ASN 32 2HD2 ASN 32 16.910 -6.433 0.395 281 H VAL 33 H VAL 33 12.525 -1.269 0.535 282 HA VAL 33 HA VAL 33 9.888 -1.925 -0.520 283 HB VAL 33 HB VAL 33 9.315 0.368 -0.220 284 1HG1 VAL 33 1HG1 VAL 33 9.406 -1.049 1.860 285 2HG1 VAL 33 2HG1 VAL 33 11.012 -0.394 2.208 286 3HG1 VAL 33 3HG1 VAL 33 9.589 0.672 2.158 287 1HG2 VAL 33 1HG2 VAL 33 10.844 2.096 0.509 288 2HG2 VAL 33 2HG2 VAL 33 12.229 0.963 0.440 289 3HG2 VAL 33 3HG2 VAL 33 11.350 1.455 -1.029 290 H GLU 34 H GLU 34 9.175 -0.753 -2.534 291 HA GLU 34 HA GLU 34 11.269 -0.179 -4.537 292 1HB GLU 34 1HB GLU 34 10.045 -2.617 -4.542 293 2HB GLU 34 2HB GLU 34 8.792 -1.715 -5.307 294 1HG GLU 34 1HG GLU 34 10.031 -2.644 -7.058 295 2HG GLU 34 2HG GLU 34 10.545 -0.954 -7.029 296 H GLU 35 H GLU 35 9.852 0.906 -6.517 297 HA GLU 35 HA GLU 35 7.527 2.359 -5.438 298 1HB GLU 35 1HB GLU 35 10.085 3.626 -6.481 299 2HB GLU 35 2HB GLU 35 8.544 4.474 -6.416 300 1HG GLU 35 1HG GLU 35 8.474 4.112 -3.939 301 2HG GLU 35 2HG GLU 35 10.050 3.315 -4.034 302 H ALA 36 H ALA 36 6.468 3.641 -7.267 303 HA ALA 36 HA ALA 36 7.072 2.705 -9.964 304 1HB ALA 36 1HB ALA 36 4.861 1.970 -10.460 305 2HB ALA 36 2HB ALA 36 5.237 1.176 -8.929 306 3HB ALA 36 3HB ALA 36 4.202 2.625 -8.975 307 H GLU 37 H GLU 37 5.778 4.058 -11.537 308 HA GLU 37 HA GLU 37 5.961 6.835 -10.869 309 1HB GLU 37 1HB GLU 37 4.570 5.473 -13.204 310 2HB GLU 37 2HB GLU 37 4.988 7.176 -13.118 311 1HG GLU 37 1HG GLU 37 7.330 5.387 -12.668 312 2HG GLU 37 2HG GLU 37 6.534 5.111 -14.203 313 H ASP 38 H ASP 38 3.196 4.514 -10.959 314 HA ASP 38 HA ASP 38 1.476 5.895 -9.273 315 1HB ASP 38 1HB ASP 38 -0.230 6.798 -10.645 316 2HB ASP 38 2HB ASP 38 1.253 7.580 -11.142 317 H GLY 39 H GLY 39 -0.923 4.880 -9.750 318 1HA GLY 39 1HA GLY 39 -0.920 2.205 -9.319 319 2HA GLY 39 2HA GLY 39 -2.260 3.065 -10.071 320 H VAL 40 H VAL 40 -0.994 3.645 -12.660 321 HA VAL 40 HA VAL 40 -1.569 1.128 -13.957 322 HB VAL 40 HB VAL 40 -0.213 3.635 -15.063 323 1HG1 VAL 40 1HG1 VAL 40 -1.609 1.330 -16.502 324 2HG1 VAL 40 2HG1 VAL 40 -1.007 2.818 -17.264 325 3HG1 VAL 40 3HG1 VAL 40 0.132 1.686 -16.534 326 1HG2 VAL 40 1HG2 VAL 40 -3.162 2.830 -15.114 327 2HG2 VAL 40 2HG2 VAL 40 -2.457 4.185 -14.203 328 3HG2 VAL 40 3HG2 VAL 40 -2.444 4.220 -15.963 329 H ASP 41 H ASP 41 1.428 2.918 -13.158 330 HA ASP 41 HA ASP 41 3.190 0.904 -14.274 331 1HB ASP 41 1HB ASP 41 3.890 3.256 -14.003 332 2HB ASP 41 2HB ASP 41 3.792 3.077 -12.256 333 H ALA 42 H ALA 42 1.662 1.463 -11.059 334 HA ALA 42 HA ALA 42 3.201 -0.360 -9.603 335 1HB ALA 42 1HB ALA 42 1.468 1.301 -8.722 336 2HB ALA 42 2HB ALA 42 0.231 0.147 -9.221 337 3HB ALA 42 3HB ALA 42 1.407 -0.326 -7.993 338 H LEU 43 H LEU 43 0.266 -0.911 -11.627 339 HA LEU 43 HA LEU 43 0.145 -3.734 -11.158 340 1HB LEU 43 1HB LEU 43 -1.130 -1.825 -12.975 341 2HB LEU 43 2HB LEU 43 -0.621 -3.242 -13.872 342 HG LEU 43 HG LEU 43 -2.835 -3.531 -13.221 343 1HD1 LEU 43 1HD1 LEU 43 -2.854 -5.648 -12.249 344 2HD1 LEU 43 2HD1 LEU 43 -1.254 -5.539 -12.974 345 3HD1 LEU 43 3HD1 LEU 43 -1.464 -5.315 -11.210 346 1HD2 LEU 43 1HD2 LEU 43 -2.997 -2.033 -11.338 347 2HD2 LEU 43 2HD2 LEU 43 -3.519 -3.618 -10.780 348 3HD2 LEU 43 3HD2 LEU 43 -1.905 -3.079 -10.380 349 H ASN 44 H ASN 44 1.834 -1.834 -13.650 350 HA ASN 44 HA ASN 44 2.950 -3.988 -15.124 351 1HB ASN 44 1HB ASN 44 3.080 -1.888 -16.150 352 2HB ASN 44 2HB ASN 44 3.695 -1.099 -14.706 353 1HD2 ASN 44 1HD2 ASN 44 5.826 -0.602 -14.695 354 2HD2 ASN 44 2HD2 ASN 44 7.058 -1.455 -15.620 355 H LYS 45 H LYS 45 4.243 -2.284 -12.260 356 HA LYS 45 HA LYS 45 6.641 -3.861 -12.030 357 1HB LYS 45 1HB LYS 45 5.032 -2.464 -9.848 358 2HB LYS 45 2HB LYS 45 6.688 -3.019 -9.677 359 1HG LYS 45 1HG LYS 45 6.079 -1.057 -11.888 360 2HG LYS 45 2HG LYS 45 6.016 -0.484 -10.231 361 1HD LYS 45 1HD LYS 45 8.354 -1.012 -9.896 362 2HD LYS 45 2HD LYS 45 8.431 -1.792 -11.513 363 1HE LYS 45 1HE LYS 45 7.641 0.394 -12.510 364 2HE LYS 45 2HE LYS 45 7.759 1.125 -10.919 365 1HZ LYS 45 1HZ LYS 45 9.661 1.610 -12.255 366 2HZ LYS 45 2HZ LYS 45 10.158 0.740 -10.973 367 3HZ LYS 45 3HZ LYS 45 10.037 0.033 -12.463 368 H LEU 46 H LEU 46 3.401 -4.135 -10.449 369 HA LEU 46 HA LEU 46 3.973 -6.300 -8.865 370 1HB LEU 46 1HB LEU 46 1.511 -4.955 -9.819 371 2HB LEU 46 2HB LEU 46 1.246 -6.661 -9.626 372 HG LEU 46 HG LEU 46 0.663 -5.486 -7.599 373 1HD1 LEU 46 1HD1 LEU 46 3.136 -7.221 -7.220 374 2HD1 LEU 46 2HD1 LEU 46 1.914 -6.871 -6.011 375 3HD1 LEU 46 3HD1 LEU 46 1.480 -7.780 -7.471 376 1HD2 LEU 46 1HD2 LEU 46 3.546 -4.506 -7.593 377 2HD2 LEU 46 2HD2 LEU 46 2.051 -3.549 -7.680 378 3HD2 LEU 46 3HD2 LEU 46 2.477 -4.417 -6.210 379 H GLN 47 H GLN 47 2.510 -6.456 -12.109 380 HA GLN 47 HA GLN 47 2.317 -9.303 -12.106 381 1HB GLN 47 1HB GLN 47 1.577 -9.069 -14.366 382 2HB GLN 47 2HB GLN 47 0.929 -7.748 -13.411 383 1HG GLN 47 1HG GLN 47 2.926 -6.346 -14.324 384 2HG GLN 47 2HG GLN 47 3.163 -7.652 -15.474 385 1HE2 GLN 47 1HE2 GLN 47 2.752 -5.668 -16.992 386 2HE2 GLN 47 2HE2 GLN 47 1.071 -5.416 -17.418 387 H ALA 48 H ALA 48 5.137 -7.522 -12.106 388 HA ALA 48 HA ALA 48 6.690 -9.655 -13.433 389 1HB ALA 48 1HB ALA 48 8.263 -7.898 -14.073 390 2HB ALA 48 2HB ALA 48 6.653 -7.543 -14.737 391 3HB ALA 48 3HB ALA 48 7.235 -6.661 -13.308 392 H GLY 49 H GLY 49 5.775 -9.260 -10.416 393 1HA GLY 49 1HA GLY 49 8.342 -10.215 -9.557 394 2HA GLY 49 2HA GLY 49 8.003 -8.647 -8.831 395 H GLY 50 H GLY 50 8.408 -10.727 -7.169 396 1HA GLY 50 1HA GLY 50 5.822 -11.932 -6.374 397 2HA GLY 50 2HA GLY 50 7.446 -12.375 -5.836 398 H TYR 51 H TYR 51 5.584 -9.328 -5.970 399 HA TYR 51 HA TYR 51 6.788 -8.170 -3.662 400 1HB TYR 51 1HB TYR 51 4.163 -7.557 -5.083 401 2HB TYR 51 2HB TYR 51 4.843 -6.562 -3.807 402 HD1 TYR 51 1HD TYR 51 5.421 -7.777 -7.312 403 HD2 TYR 51 2HD TYR 51 6.643 -5.028 -4.208 404 HE1 TYR 51 1HE TYR 51 6.940 -6.667 -8.887 405 HE2 TYR 51 2HE TYR 51 8.148 -3.892 -5.824 406 HH TYR 51 HH TYR 51 8.522 -5.076 -9.197 407 H GLY 52 H GLY 52 6.102 -7.981 -1.543 408 1HA GLY 52 1HA GLY 52 4.078 -9.955 -0.598 409 2HA GLY 52 2HA GLY 52 5.273 -9.106 0.378 410 H PHE 53 H PHE 53 4.734 -6.461 -0.918 411 HA PHE 53 HA PHE 53 2.021 -5.861 0.082 412 1HB PHE 53 1HB PHE 53 4.634 -4.942 1.205 413 2HB PHE 53 2HB PHE 53 3.425 -3.697 0.966 414 HD1 PHE 53 1HD PHE 53 1.656 -3.373 2.504 415 HD2 PHE 53 2HD PHE 53 3.987 -6.999 2.613 416 HE1 PHE 53 1HE PHE 53 0.638 -3.957 4.662 417 HE2 PHE 53 2HE PHE 53 2.900 -7.633 4.753 418 HZ PHE 53 HZ PHE 53 1.243 -6.125 5.789 419 H VAL 54 H VAL 54 1.116 -4.092 -0.807 420 HA VAL 54 HA VAL 54 2.451 -2.621 -2.982 421 HB VAL 54 HB VAL 54 -0.313 -3.935 -3.095 422 1HG1 VAL 54 1HG1 VAL 54 -0.198 -3.579 -5.545 423 2HG1 VAL 54 2HG1 VAL 54 -0.191 -2.048 -4.682 424 3HG1 VAL 54 3HG1 VAL 54 1.319 -2.704 -5.364 425 1HG2 VAL 54 1HG2 VAL 54 0.865 -5.390 -4.865 426 2HG2 VAL 54 2HG2 VAL 54 2.372 -4.921 -4.084 427 3HG2 VAL 54 3HG2 VAL 54 1.120 -5.772 -3.162 428 H ILE 55 H ILE 55 2.422 -0.565 -2.087 429 HA ILE 55 HA ILE 55 0.099 0.215 -0.370 430 HB ILE 55 HB ILE 55 3.129 0.561 -0.073 431 1HG1 ILE 55 1HG1 ILE 55 1.077 -0.156 2.070 432 2HG1 ILE 55 2HG1 ILE 55 1.704 -1.394 0.990 433 1HG2 ILE 55 1HG2 ILE 55 0.863 2.189 1.128 434 2HG2 ILE 55 2HG2 ILE 55 2.454 2.111 1.892 435 3HG2 ILE 55 3HG2 ILE 55 2.289 2.792 0.270 436 1HD1 ILE 55 1HD1 ILE 55 3.329 0.277 2.938 437 2HD1 ILE 55 2HD1 ILE 55 2.976 -1.453 3.020 438 3HD1 ILE 55 3HD1 ILE 55 4.009 -0.827 1.717 439 H SER 56 H SER 56 -0.783 2.222 -0.962 440 HA SER 56 HA SER 56 0.319 3.482 -3.410 441 1HB SER 56 1HB SER 56 -2.223 3.046 -4.157 442 2HB SER 56 2HB SER 56 -0.913 1.902 -4.472 443 HG SER 56 HG SER 56 -2.465 1.722 -2.119 444 H ASP 57 H ASP 57 -0.670 5.436 -4.002 445 HA ASP 57 HA ASP 57 -1.907 7.013 -1.935 446 1HB ASP 57 1HB ASP 57 -2.179 8.706 -3.660 447 2HB ASP 57 2HB ASP 57 -0.548 8.131 -3.486 448 H TRP 58 H TRP 58 -3.969 8.156 -2.587 449 HA TRP 58 HA TRP 58 -6.033 6.231 -3.557 450 1HB TRP 58 1HB TRP 58 -6.692 7.483 -1.541 451 2HB TRP 58 2HB TRP 58 -6.395 9.019 -2.361 452 HD1 TRP 58 HD TRP 58 -8.089 9.678 -4.367 453 HE1 TRP 58 1HE TRP 58 -10.278 8.696 -5.239 454 HE3 TRP 58 3HE TRP 58 -8.322 5.467 -1.475 455 HZ2 TRP 58 2HZ TRP 58 -12.016 6.467 -4.652 456 HZ3 TRP 58 3HZ TRP 58 -10.290 3.963 -1.611 457 HH2 TRP 58 HH TRP 58 -12.147 4.481 -3.193 458 H ASN 59 H ASN 59 -5.625 9.750 -4.007 459 HA ASN 59 HA ASN 59 -5.366 11.070 -5.790 460 1HB ASN 59 1HB ASN 59 -3.265 9.601 -5.733 461 2HB ASN 59 2HB ASN 59 -3.885 8.822 -7.183 462 1HD2 ASN 59 1HD2 ASN 59 -1.472 10.165 -6.879 463 2HD2 ASN 59 2HD2 ASN 59 -1.424 11.766 -7.590 464 H MET 60 H MET 60 -5.527 10.824 -8.496 465 HA MET 60 HA MET 60 -6.958 8.643 -9.441 466 1HB MET 60 1HB MET 60 -8.995 9.627 -8.474 467 2HB MET 60 2HB MET 60 -8.754 11.101 -9.391 468 1HG MET 60 1HG MET 60 -9.218 9.963 -11.448 469 2HG MET 60 2HG MET 60 -8.958 8.380 -10.722 470 1HE MET 60 1HE MET 60 -11.062 11.532 -9.537 471 2HE MET 60 2HE MET 60 -11.417 11.330 -11.266 472 3HE MET 60 3HE MET 60 -12.686 11.033 -10.059 473 HA PRO 61 HA PRO 61 -4.451 11.126 -12.376 474 1HB PRO 61 1HB PRO 61 -2.709 8.833 -12.784 475 2HB PRO 61 2HB PRO 61 -2.323 10.402 -12.047 476 1HG PRO 61 1HG PRO 61 -2.397 7.999 -10.616 477 2HG PRO 61 2HG PRO 61 -2.618 9.627 -9.912 478 1HD PRO 61 1HD PRO 61 -4.748 7.664 -10.771 479 2HD PRO 61 2HD PRO 61 -4.632 8.620 -9.274 480 H ASN 62 H ASN 62 -4.443 7.553 -12.910 481 HA ASN 62 HA ASN 62 -6.390 7.857 -15.130 482 1HB ASN 62 1HB ASN 62 -3.890 7.674 -15.749 483 2HB ASN 62 2HB ASN 62 -3.954 6.018 -15.191 484 1HD2 ASN 62 1HD2 ASN 62 -3.827 7.572 -17.905 485 2HD2 ASN 62 2HD2 ASN 62 -5.027 6.786 -18.924 486 H MET 63 H MET 63 -4.579 5.384 -13.390 487 HA MET 63 HA MET 63 -6.997 3.895 -12.511 488 1HB MET 63 1HB MET 63 -5.211 2.612 -13.644 489 2HB MET 63 2HB MET 63 -4.014 3.213 -12.491 490 1HG MET 63 1HG MET 63 -5.181 2.085 -10.658 491 2HG MET 63 2HG MET 63 -6.431 1.524 -11.776 492 1HE MET 63 1HE MET 63 -4.771 -1.263 -13.829 493 2HE MET 63 2HE MET 63 -6.255 -0.371 -13.425 494 3HE MET 63 3HE MET 63 -4.963 0.419 -14.364 495 H ASP 64 H ASP 64 -7.753 5.049 -10.678 496 HA ASP 64 HA ASP 64 -5.925 6.261 -8.777 497 1HB ASP 64 1HB ASP 64 -7.732 6.848 -7.502 498 2HB ASP 64 2HB ASP 64 -8.307 7.019 -9.152 499 H GLY 65 H GLY 65 -6.091 5.506 -6.397 500 1HA GLY 65 1HA GLY 65 -4.865 3.011 -6.136 501 2HA GLY 65 2HA GLY 65 -5.603 3.930 -4.821 502 H LEU 66 H LEU 66 -8.326 3.772 -6.185 503 HA LEU 66 HA LEU 66 -9.163 1.322 -4.880 504 1HB LEU 66 1HB LEU 66 -10.392 3.715 -5.291 505 2HB LEU 66 2HB LEU 66 -11.002 2.882 -6.704 506 HG LEU 66 HG LEU 66 -12.485 2.873 -4.751 507 1HD1 LEU 66 1HD1 LEU 66 -12.728 1.075 -6.416 508 2HD1 LEU 66 2HD1 LEU 66 -11.665 0.049 -5.428 509 3HD1 LEU 66 3HD1 LEU 66 -13.226 0.587 -4.781 510 1HD2 LEU 66 1HD2 LEU 66 -10.283 2.371 -3.219 511 2HD2 LEU 66 2HD2 LEU 66 -11.942 2.119 -2.707 512 3HD2 LEU 66 3HD2 LEU 66 -10.978 0.750 -3.309 513 H GLU 67 H GLU 67 -8.803 2.505 -8.226 514 HA GLU 67 HA GLU 67 -9.706 0.054 -9.463 515 1HB GLU 67 1HB GLU 67 -8.111 2.437 -10.469 516 2HB GLU 67 2HB GLU 67 -8.658 1.116 -11.510 517 1HG GLU 67 1HG GLU 67 -10.639 2.686 -9.819 518 2HG GLU 67 2HG GLU 67 -10.055 3.287 -11.365 519 H LEU 68 H LEU 68 -6.519 1.297 -8.437 520 HA LEU 68 HA LEU 68 -4.896 -0.805 -9.501 521 1HB LEU 68 1HB LEU 68 -3.891 1.173 -8.489 522 2HB LEU 68 2HB LEU 68 -4.661 0.833 -6.947 523 HG LEU 68 HG LEU 68 -3.288 -1.278 -6.719 524 1HD1 LEU 68 1HD1 LEU 68 -2.035 -0.239 -9.283 525 2HD1 LEU 68 2HD1 LEU 68 -1.289 -1.466 -8.222 526 3HD1 LEU 68 3HD1 LEU 68 -2.861 -1.774 -8.972 527 1HD2 LEU 68 1HD2 LEU 68 -2.599 0.813 -5.669 528 2HD2 LEU 68 2HD2 LEU 68 -1.196 -0.134 -6.186 529 3HD2 LEU 68 3HD2 LEU 68 -1.705 1.289 -7.131 530 H LEU 69 H LEU 69 -6.453 -0.466 -6.317 531 HA LEU 69 HA LEU 69 -6.017 -3.073 -5.346 532 1HB LEU 69 1HB LEU 69 -6.710 -1.539 -3.780 533 2HB LEU 69 2HB LEU 69 -7.944 -0.842 -4.820 534 HG LEU 69 HG LEU 69 -9.514 -2.486 -4.393 535 1HD1 LEU 69 1HD1 LEU 69 -7.835 -4.514 -4.006 536 2HD1 LEU 69 2HD1 LEU 69 -7.932 -3.984 -2.314 537 3HD1 LEU 69 3HD1 LEU 69 -9.380 -4.436 -3.189 538 1HD2 LEU 69 1HD2 LEU 69 -8.019 -1.543 -1.918 539 2HD2 LEU 69 2HD2 LEU 69 -9.363 -0.727 -2.716 540 3HD2 LEU 69 3HD2 LEU 69 -9.640 -2.244 -1.828 541 H LYS 70 H LYS 70 -8.949 -1.831 -7.092 542 HA LYS 70 HA LYS 70 -10.126 -4.436 -7.095 543 1HB LYS 70 1HB LYS 70 -10.778 -1.819 -8.477 544 2HB LYS 70 2HB LYS 70 -11.655 -3.288 -8.870 545 1HG LYS 70 1HG LYS 70 -12.049 -3.632 -6.363 546 2HG LYS 70 2HG LYS 70 -11.415 -2.008 -6.112 547 1HD LYS 70 1HD LYS 70 -13.203 -1.047 -7.478 548 2HD LYS 70 2HD LYS 70 -13.697 -2.648 -8.038 549 1HE LYS 70 1HE LYS 70 -14.262 -3.209 -5.609 550 2HE LYS 70 2HE LYS 70 -14.063 -1.476 -5.272 551 1HZ LYS 70 1HZ LYS 70 -15.962 -2.660 -7.196 552 2HZ LYS 70 2HZ LYS 70 -16.344 -2.021 -5.721 553 3HZ LYS 70 3HZ LYS 70 -15.763 -1.034 -6.904 554 H THR 71 H THR 71 -7.851 -3.036 -9.385 555 HA THR 71 HA THR 71 -8.156 -5.058 -11.419 556 HB THR 71 HB THR 71 -5.826 -3.361 -10.471 557 HG1 THR 71 1HG THR 71 -7.261 -2.120 -11.382 558 1HG2 THR 71 1HG2 THR 71 -5.929 -5.266 -12.852 559 2HG2 THR 71 2HG2 THR 71 -4.799 -3.924 -12.668 560 3HG2 THR 71 3HG2 THR 71 -4.796 -5.245 -11.493 561 H ILE 72 H ILE 72 -5.857 -4.749 -8.677 562 HA ILE 72 HA ILE 72 -4.796 -7.336 -8.881 563 HB ILE 72 HB ILE 72 -4.881 -5.113 -6.821 564 1HG1 ILE 72 1HG1 ILE 72 -2.590 -6.430 -8.375 565 2HG1 ILE 72 2HG1 ILE 72 -3.501 -5.048 -8.956 566 1HG2 ILE 72 1HG2 ILE 72 -3.208 -6.373 -5.450 567 2HG2 ILE 72 2HG2 ILE 72 -4.838 -7.045 -5.384 568 3HG2 ILE 72 3HG2 ILE 72 -3.622 -7.817 -6.398 569 1HD1 ILE 72 1HD1 ILE 72 -1.675 -5.056 -6.525 570 2HD1 ILE 72 2HD1 ILE 72 -1.416 -4.249 -8.071 571 3HD1 ILE 72 3HD1 ILE 72 -2.707 -3.688 -7.009 572 H ARG 73 H ARG 73 -7.620 -6.227 -7.059 573 HA ARG 73 HA ARG 73 -8.071 -8.585 -5.547 574 1HB ARG 73 1HB ARG 73 -8.915 -6.191 -5.217 575 2HB ARG 73 2HB ARG 73 -10.182 -6.549 -6.380 576 1HG ARG 73 1HG ARG 73 -9.745 -8.260 -3.892 577 2HG ARG 73 2HG ARG 73 -10.521 -6.692 -3.818 578 1HD ARG 73 1HD ARG 73 -12.023 -7.825 -5.794 579 2HD ARG 73 2HD ARG 73 -11.623 -9.252 -4.834 580 HE ARG 73 HE ARG 73 -13.513 -7.211 -4.219 581 1HH1 ARG 73 2HH2 ARG 73 -11.317 -9.436 -2.588 582 2HH1 ARG 73 1HH2 ARG 73 -11.839 -9.049 -0.984 583 1HH2 ARG 73 2HH1 ARG 73 -14.323 -6.724 -2.112 584 2HH2 ARG 73 1HH1 ARG 73 -13.698 -7.512 -0.734 585 H ALA 74 H ALA 74 -8.841 -7.934 -8.918 586 HA ALA 74 HA ALA 74 -10.753 -10.231 -8.928 587 1HB ALA 74 1HB ALA 74 -11.675 -9.265 -10.953 588 2HB ALA 74 2HB ALA 74 -11.717 -8.062 -9.648 589 3HB ALA 74 3HB ALA 74 -10.460 -7.976 -10.913 590 H ASP 75 H ASP 75 -7.540 -9.492 -9.536 591 HA ASP 75 HA ASP 75 -7.123 -11.348 -11.738 592 1HB ASP 75 1HB ASP 75 -5.373 -9.740 -11.143 593 2HB ASP 75 2HB ASP 75 -5.301 -10.425 -9.505 594 H GLY 76 H GLY 76 -6.444 -13.590 -11.374 595 1HA GLY 76 1HA GLY 76 -8.150 -14.851 -9.375 596 2HA GLY 76 2HA GLY 76 -7.203 -15.644 -10.632 597 H ALA 77 H ALA 77 -4.927 -13.722 -9.187 598 HA ALA 77 HA ALA 77 -4.330 -15.661 -6.998 599 1HB ALA 77 1HB ALA 77 -3.091 -16.318 -9.023 600 2HB ALA 77 2HB ALA 77 -2.444 -14.668 -9.183 601 3HB ALA 77 3HB ALA 77 -1.995 -15.676 -7.790 602 H MET 78 H MET 78 -3.702 -12.416 -8.447 603 HA MET 78 HA MET 78 -2.163 -11.543 -6.192 604 1HB MET 78 1HB MET 78 -3.509 -9.870 -8.345 605 2HB MET 78 2HB MET 78 -2.317 -9.316 -7.190 606 1HG MET 78 1HG MET 78 -0.709 -11.042 -8.044 607 2HG MET 78 2HG MET 78 -1.815 -11.321 -9.389 608 1HE MET 78 1HE MET 78 -1.707 -7.997 -11.378 609 2HE MET 78 2HE MET 78 -2.296 -9.669 -11.280 610 3HE MET 78 3HE MET 78 -2.922 -8.441 -10.158 611 H SER 79 H SER 79 -5.503 -12.010 -6.322 612 HA SER 79 HA SER 79 -6.432 -9.767 -4.887 613 1HB SER 79 1HB SER 79 -8.398 -11.206 -4.441 614 2HB SER 79 2HB SER 79 -7.877 -11.277 -6.134 615 HG SER 79 HG SER 79 -8.376 -13.301 -4.896 616 H ALA 80 H ALA 80 -4.559 -12.410 -3.768 617 HA ALA 80 HA ALA 80 -5.153 -12.270 -0.934 618 1HB ALA 80 1HB ALA 80 -3.038 -13.582 -0.774 619 2HB ALA 80 2HB ALA 80 -4.158 -14.258 -1.972 620 3HB ALA 80 3HB ALA 80 -2.744 -13.309 -2.500 621 H LEU 81 H LEU 81 -3.603 -9.979 -2.984 622 HA LEU 81 HA LEU 81 -1.405 -9.333 -1.273 623 1HB LEU 81 1HB LEU 81 -2.767 -7.954 -3.596 624 2HB LEU 81 2HB LEU 81 -1.551 -7.096 -2.676 625 HG LEU 81 HG LEU 81 -1.014 -9.777 -4.025 626 1HD1 LEU 81 1HD1 LEU 81 0.228 -8.343 -5.651 627 2HD1 LEU 81 2HD1 LEU 81 -1.509 -8.068 -5.668 628 3HD1 LEU 81 3HD1 LEU 81 -0.498 -6.908 -4.870 629 1HD2 LEU 81 1HD2 LEU 81 0.759 -7.771 -2.557 630 2HD2 LEU 81 2HD2 LEU 81 0.550 -9.485 -2.215 631 3HD2 LEU 81 3HD2 LEU 81 1.403 -8.984 -3.673 632 HA PRO 82 HA PRO 82 -3.611 -6.518 1.408 633 1HB PRO 82 1HB PRO 82 -1.586 -5.636 2.937 634 2HB PRO 82 2HB PRO 82 -1.954 -7.381 2.865 635 1HG PRO 82 1HG PRO 82 0.154 -5.846 1.317 636 2HG PRO 82 2HG PRO 82 0.368 -7.357 2.253 637 1HD PRO 82 1HD PRO 82 -0.110 -7.258 -0.483 638 2HD PRO 82 2HD PRO 82 -0.563 -8.640 0.549 639 H VAL 83 H VAL 83 -3.736 -5.335 -1.043 640 HA VAL 83 HA VAL 83 -2.180 -3.020 -1.510 641 HB VAL 83 HB VAL 83 -4.316 -2.225 -2.740 642 1HG1 VAL 83 1HG1 VAL 83 -3.806 -3.676 -4.667 643 2HG1 VAL 83 2HG1 VAL 83 -2.365 -2.992 -3.925 644 3HG1 VAL 83 3HG1 VAL 83 -2.791 -4.702 -3.626 645 1HG2 VAL 83 1HG2 VAL 83 -4.998 -5.183 -2.420 646 2HG2 VAL 83 2HG2 VAL 83 -5.854 -3.822 -1.646 647 3HG2 VAL 83 3HG2 VAL 83 -5.807 -3.980 -3.410 648 H LEU 84 H LEU 84 -1.913 -1.317 -0.251 649 HA LEU 84 HA LEU 84 -3.948 -0.727 1.839 650 1HB LEU 84 1HB LEU 84 -1.614 -1.495 2.471 651 2HB LEU 84 2HB LEU 84 -0.999 -0.052 1.692 652 HG LEU 84 HG LEU 84 -1.898 1.388 3.351 653 1HD1 LEU 84 1HD1 LEU 84 -3.281 0.686 5.236 654 2HD1 LEU 84 2HD1 LEU 84 -4.084 0.469 3.699 655 3HD1 LEU 84 3HD1 LEU 84 -3.411 -0.950 4.543 656 1HD2 LEU 84 1HD2 LEU 84 -0.856 -1.113 4.757 657 2HD2 LEU 84 2HD2 LEU 84 0.142 0.175 4.057 658 3HD2 LEU 84 3HD2 LEU 84 -0.887 0.521 5.443 659 H MET 85 H MET 85 -5.082 1.187 1.719 660 HA MET 85 HA MET 85 -4.266 3.169 -0.330 661 1HB MET 85 1HB MET 85 -6.543 3.369 1.655 662 2HB MET 85 2HB MET 85 -6.334 4.270 0.168 663 1HG MET 85 1HG MET 85 -6.912 1.272 0.343 664 2HG MET 85 2HG MET 85 -8.104 2.537 0.161 665 1HE MET 85 1HE MET 85 -5.453 0.850 -3.194 666 2HE MET 85 2HE MET 85 -4.638 1.644 -1.844 667 3HE MET 85 3HE MET 85 -5.633 0.195 -1.552 668 H VAL 86 H VAL 86 -2.910 4.863 0.233 669 HA VAL 86 HA VAL 86 -2.739 5.734 3.063 670 HB VAL 86 HB VAL 86 -0.483 5.099 1.113 671 1HG1 VAL 86 1HG1 VAL 86 0.127 7.041 2.467 672 2HG1 VAL 86 2HG1 VAL 86 -0.306 6.170 3.962 673 3HG1 VAL 86 3HG1 VAL 86 1.068 5.644 2.947 674 1HG2 VAL 86 1HG2 VAL 86 0.251 3.461 2.885 675 2HG2 VAL 86 2HG2 VAL 86 -1.328 3.689 3.662 676 3HG2 VAL 86 3HG2 VAL 86 -1.224 3.043 2.011 677 H THR 87 H THR 87 -3.549 7.822 2.995 678 HA THR 87 HA THR 87 -2.631 9.545 0.787 679 HB THR 87 HB THR 87 -4.446 8.182 -0.125 680 HG1 THR 87 1HG THR 87 -5.943 9.864 -0.601 681 1HG2 THR 87 1HG2 THR 87 -5.678 7.550 1.870 682 2HG2 THR 87 2HG2 THR 87 -6.144 9.235 2.166 683 3HG2 THR 87 3HG2 THR 87 -6.754 8.364 0.739 684 H ALA 88 H ALA 88 -3.453 11.752 0.933 685 HA ALA 88 HA ALA 88 -3.790 12.777 3.666 686 1HB ALA 88 1HB ALA 88 -4.065 14.950 2.453 687 2HB ALA 88 2HB ALA 88 -2.603 14.104 1.892 688 3HB ALA 88 3HB ALA 88 -4.083 14.091 0.908 689 H GLU 89 H GLU 89 -5.764 11.643 1.025 690 HA GLU 89 HA GLU 89 -8.058 13.312 1.677 691 1HB GLU 89 1HB GLU 89 -7.499 11.275 -0.508 692 2HB GLU 89 2HB GLU 89 -8.916 12.307 -0.421 693 1HG GLU 89 1HG GLU 89 -6.534 13.972 -0.156 694 2HG GLU 89 2HG GLU 89 -6.320 12.888 -1.514 695 H ALA 90 H ALA 90 -9.013 12.593 3.554 696 HA ALA 90 HA ALA 90 -9.423 9.856 4.386 697 1HB ALA 90 1HB ALA 90 -11.032 12.353 5.059 698 2HB ALA 90 2HB ALA 90 -11.043 10.804 5.934 699 3HB ALA 90 3HB ALA 90 -9.580 11.806 5.901 700 H LYS 91 H LYS 91 -11.975 12.075 3.258 701 HA LYS 91 HA LYS 91 -14.114 11.595 2.653 702 1HB LYS 91 1HB LYS 91 -12.819 12.039 0.672 703 2HB LYS 91 2HB LYS 91 -12.480 10.329 0.440 704 1HG LYS 91 1HG LYS 91 -14.682 9.869 -0.241 705 2HG LYS 91 2HG LYS 91 -15.352 11.270 0.616 706 1HD LYS 91 1HD LYS 91 -14.253 12.795 -0.994 707 2HD LYS 91 2HD LYS 91 -13.668 11.390 -1.913 708 1HE LYS 91 1HE LYS 91 -15.949 10.684 -2.393 709 2HE LYS 91 2HE LYS 91 -16.605 11.933 -1.313 710 1HZ LYS 91 1HZ LYS 91 -15.751 13.611 -2.778 711 2HZ LYS 91 2HZ LYS 91 -15.090 12.493 -3.786 712 3HZ LYS 91 3HZ LYS 91 -16.716 12.551 -3.624 713 H LYS 92 H LYS 92 -15.114 10.367 4.161 714 HA LYS 92 HA LYS 92 -14.852 7.647 4.682 715 1HB LYS 92 1HB LYS 92 -17.069 9.619 5.030 716 2HB LYS 92 2HB LYS 92 -17.527 7.923 5.052 717 1HG LYS 92 1HG LYS 92 -17.040 8.792 7.305 718 2HG LYS 92 2HG LYS 92 -16.041 7.404 6.858 719 1HD LYS 92 1HD LYS 92 -14.102 8.874 6.449 720 2HD LYS 92 2HD LYS 92 -15.113 10.299 6.681 721 1HE LYS 92 1HE LYS 92 -13.844 9.964 8.677 722 2HE LYS 92 2HE LYS 92 -15.534 9.618 9.024 723 1HZ LYS 92 1HZ LYS 92 -14.090 7.988 9.999 724 2HZ LYS 92 2HZ LYS 92 -15.006 7.241 8.909 725 3HZ LYS 92 3HZ LYS 92 -13.406 7.576 8.607 726 H GLU 93 H GLU 93 -16.799 9.087 2.043 727 HA GLU 93 HA GLU 93 -17.965 6.766 1.044 728 1HB GLU 93 1HB GLU 93 -18.286 9.171 0.350 729 2HB GLU 93 2HB GLU 93 -16.775 9.070 -0.552 730 1HG GLU 93 1HG GLU 93 -17.748 7.178 -1.884 731 2HG GLU 93 2HG GLU 93 -19.283 7.415 -1.029 732 H ASN 94 H ASN 94 -14.649 7.956 0.455 733 HA ASN 94 HA ASN 94 -13.904 5.935 -1.511 734 1HB ASN 94 1HB ASN 94 -12.263 7.914 0.147 735 2HB ASN 94 2HB ASN 94 -11.592 6.823 -1.010 736 1HD2 ASN 94 1HD2 ASN 94 -14.188 7.472 -2.883 737 2HD2 ASN 94 2HD2 ASN 94 -13.506 8.878 -3.653 738 H ILE 95 H ILE 95 -13.589 6.484 2.008 739 HA ILE 95 HA ILE 95 -11.993 4.171 2.538 740 HB ILE 95 HB ILE 95 -13.759 5.959 4.219 741 1HG1 ILE 95 1HG1 ILE 95 -10.851 5.317 4.686 742 2HG1 ILE 95 2HG1 ILE 95 -11.286 6.379 3.345 743 1HG2 ILE 95 1HG2 ILE 95 -12.913 4.670 6.245 744 2HG2 ILE 95 2HG2 ILE 95 -14.122 3.843 5.268 745 3HG2 ILE 95 3HG2 ILE 95 -12.409 3.387 5.125 746 1HD1 ILE 95 1HD1 ILE 95 -12.360 7.963 4.872 747 2HD1 ILE 95 2HD1 ILE 95 -11.913 6.944 6.258 748 3HD1 ILE 95 3HD1 ILE 95 -10.657 7.702 5.255 749 H ILE 96 H ILE 96 -15.736 4.529 2.537 750 HA ILE 96 HA ILE 96 -16.186 1.814 3.002 751 HB ILE 96 HB ILE 96 -17.563 4.025 1.448 752 1HG1 ILE 96 1HG1 ILE 96 -18.847 2.632 3.791 753 2HG1 ILE 96 2HG1 ILE 96 -17.326 3.445 4.169 754 1HG2 ILE 96 1HG2 ILE 96 -19.601 2.649 1.298 755 2HG2 ILE 96 2HG2 ILE 96 -18.305 1.983 0.306 756 3HG2 ILE 96 3HG2 ILE 96 -18.694 1.226 1.864 757 1HD1 ILE 96 1HD1 ILE 96 -19.021 5.045 4.493 758 2HD1 ILE 96 2HD1 ILE 96 -18.154 5.495 3.029 759 3HD1 ILE 96 3HD1 ILE 96 -19.711 4.712 2.861 760 H ALA 97 H ALA 97 -15.502 3.514 -0.162 761 HA ALA 97 HA ALA 97 -15.853 1.229 -1.759 762 1HB ALA 97 1HB ALA 97 -14.454 2.356 -3.439 763 2HB ALA 97 2HB ALA 97 -15.555 3.524 -2.698 764 3HB ALA 97 3HB ALA 97 -13.854 3.486 -2.222 765 H ALA 98 H ALA 98 -12.883 2.315 -0.100 766 HA ALA 98 HA ALA 98 -11.205 0.230 -1.068 767 1HB ALA 98 1HB ALA 98 -9.746 0.847 0.815 768 2HB ALA 98 2HB ALA 98 -10.390 2.291 0.009 769 3HB ALA 98 3HB ALA 98 -11.079 1.757 1.562 770 H ALA 99 H ALA 99 -13.210 0.446 1.907 771 HA ALA 99 HA ALA 99 -12.443 -2.128 2.908 772 1HB ALA 99 1HB ALA 99 -13.276 -0.341 4.310 773 2HB ALA 99 2HB ALA 99 -14.837 -0.313 3.461 774 3HB ALA 99 3HB ALA 99 -14.377 -1.718 4.445 775 H GLN 100 H GLN 100 -15.103 -1.096 0.789 776 HA GLN 100 HA GLN 100 -16.461 -3.598 0.559 777 1HB GLN 100 1HB GLN 100 -16.216 -1.104 -1.191 778 2HB GLN 100 2HB GLN 100 -17.185 -2.472 -1.682 779 1HG GLN 100 1HG GLN 100 -17.598 -0.952 0.933 780 2HG GLN 100 2HG GLN 100 -18.496 -0.661 -0.557 781 1HE2 GLN 100 1HE2 GLN 100 -19.864 -2.488 -1.409 782 2HE2 GLN 100 2HE2 GLN 100 -20.473 -3.638 -0.230 783 H ALA 101 H ALA 101 -13.864 -2.093 -1.442 784 HA ALA 101 HA ALA 101 -13.420 -4.480 -3.007 785 1HB ALA 101 1HB ALA 101 -11.435 -3.261 -3.740 786 2HB ALA 101 2HB ALA 101 -12.856 -2.204 -3.761 787 3HB ALA 101 3HB ALA 101 -11.695 -2.041 -2.455 788 H GLY 102 H GLY 102 -12.770 -3.842 0.292 789 1HA GLY 102 1HA GLY 102 -11.860 -5.254 1.847 790 2HA GLY 102 2HA GLY 102 -11.521 -6.406 0.551 791 H ALA 103 H ALA 103 -10.275 -3.083 0.526 792 HA ALA 103 HA ALA 103 -7.596 -3.715 0.059 793 1HB ALA 103 1HB ALA 103 -8.956 -1.393 0.091 794 2HB ALA 103 2HB ALA 103 -8.287 -1.268 1.704 795 3HB ALA 103 3HB ALA 103 -7.204 -1.427 0.305 796 H SER 104 H SER 104 -5.672 -3.380 1.629 797 HA SER 104 HA SER 104 -6.062 -4.940 4.018 798 1HB SER 104 1HB SER 104 -3.715 -4.204 4.548 799 2HB SER 104 2HB SER 104 -3.945 -5.021 2.989 800 HG SER 104 HG SER 104 -2.873 -3.295 2.329 801 H GLY 105 H GLY 105 -6.113 -1.451 3.358 802 1HA GLY 105 1HA GLY 105 -7.663 -0.798 5.588 803 2HA GLY 105 2HA GLY 105 -5.961 -0.533 6.030 804 H TYR 106 H TYR 106 -7.069 1.678 6.174 805 HA TYR 106 HA TYR 106 -6.440 3.205 3.738 806 1HB TYR 106 1HB TYR 106 -8.964 2.654 4.015 807 2HB TYR 106 2HB TYR 106 -8.946 3.793 5.342 808 HD1 TYR 106 1HD TYR 106 -9.595 3.403 1.963 809 HD2 TYR 106 2HD TYR 106 -7.715 6.202 4.644 810 HE1 TYR 106 1HE TYR 106 -10.075 5.235 0.376 811 HE2 TYR 106 2HE TYR 106 -8.180 8.026 3.039 812 HH TYR 106 HH TYR 106 -9.245 8.629 1.072 813 H VAL 107 H VAL 107 -4.624 4.048 4.591 814 HA VAL 107 HA VAL 107 -4.493 5.215 7.302 815 HB VAL 107 HB VAL 107 -2.556 4.998 4.962 816 1HG1 VAL 107 1HG1 VAL 107 -2.011 7.014 6.154 817 2HG1 VAL 107 2HG1 VAL 107 -2.184 6.194 7.719 818 3HG1 VAL 107 3HG1 VAL 107 -0.842 5.778 6.628 819 1HG2 VAL 107 1HG2 VAL 107 -2.975 2.853 6.171 820 2HG2 VAL 107 2HG2 VAL 107 -1.309 3.426 6.272 821 3HG2 VAL 107 3HG2 VAL 107 -2.379 3.646 7.657 822 H VAL 108 H VAL 108 -4.871 7.434 7.647 823 HA VAL 108 HA VAL 108 -4.955 9.172 5.266 824 HB VAL 108 HB VAL 108 -6.506 9.567 7.835 825 1HG1 VAL 108 1HG1 VAL 108 -5.891 11.709 6.747 826 2HG1 VAL 108 2HG1 VAL 108 -6.584 11.124 5.211 827 3HG1 VAL 108 3HG1 VAL 108 -7.605 11.390 6.647 828 1HG2 VAL 108 1HG2 VAL 108 -7.507 7.735 6.517 829 2HG2 VAL 108 2HG2 VAL 108 -8.520 9.175 6.421 830 3HG2 VAL 108 3HG2 VAL 108 -7.456 8.746 5.058 831 H LYS 109 H LYS 109 -3.779 11.082 5.513 832 HA LYS 109 HA LYS 109 -1.517 11.189 7.150 833 1HB LYS 109 1HB LYS 109 -1.201 13.409 6.375 834 2HB LYS 109 2HB LYS 109 -1.983 12.548 5.070 835 1HG LYS 109 1HG LYS 109 -4.156 13.595 5.701 836 2HG LYS 109 2HG LYS 109 -3.394 14.409 7.065 837 1HD LYS 109 1HD LYS 109 -2.470 14.804 4.211 838 2HD LYS 109 2HD LYS 109 -3.721 15.800 4.959 839 1HE LYS 109 1HE LYS 109 -0.940 15.483 6.168 840 2HE LYS 109 2HE LYS 109 -1.275 16.653 4.891 841 1HZ LYS 109 1HZ LYS 109 -2.806 17.780 6.268 842 2HZ LYS 109 2HZ LYS 109 -2.756 16.645 7.450 843 3HZ LYS 109 3HZ LYS 109 -1.436 17.578 7.139 844 HA PRO 110 HA PRO 110 -0.119 12.821 8.053 845 1HB PRO 110 1HB PRO 110 1.004 13.989 10.200 846 2HB PRO 110 2HB PRO 110 0.039 14.924 9.017 847 1HG PRO 110 1HG PRO 110 -0.735 14.047 11.777 848 2HG PRO 110 2HG PRO 110 -1.272 15.484 10.839 849 1HD PRO 110 1HD PRO 110 -2.552 12.940 11.157 850 2HD PRO 110 2HD PRO 110 -3.117 14.318 10.162 851 H PHE 111 H PHE 111 0.170 10.588 8.013 852 HA PHE 111 HA PHE 111 -0.387 9.056 10.414 853 1HB PHE 111 1HB PHE 111 -0.035 7.142 8.915 854 2HB PHE 111 2HB PHE 111 -1.227 8.271 8.327 855 HD1 PHE 111 1HD PHE 111 -0.907 9.397 6.161 856 HD2 PHE 111 2HD PHE 111 2.101 6.826 7.854 857 HE1 PHE 111 1HE PHE 111 0.239 9.308 3.984 858 HE2 PHE 111 2HE PHE 111 3.250 6.732 5.656 859 HZ PHE 111 HZ PHE 111 2.315 7.978 3.717 860 H THR 112 H THR 112 0.959 7.425 11.247 861 HA THR 112 HA THR 112 3.866 7.771 11.041 862 HB THR 112 HB THR 112 3.807 7.869 13.587 863 HG1 THR 112 1HG THR 112 1.967 8.345 14.581 864 1HG2 THR 112 1HG2 THR 112 3.652 10.195 13.692 865 2HG2 THR 112 2HG2 THR 112 4.132 9.859 12.031 866 3HG2 THR 112 3HG2 THR 112 2.446 10.277 12.375 867 H ALA 113 H ALA 113 4.764 6.147 12.873 868 HA ALA 113 HA ALA 113 4.252 3.534 11.994 869 1HB ALA 113 1HB ALA 113 5.479 4.492 14.607 870 2HB ALA 113 2HB ALA 113 5.680 2.915 13.876 871 3HB ALA 113 3HB ALA 113 6.343 4.325 13.059 872 H ALA 114 H ALA 114 2.830 5.462 14.640 873 HA ALA 114 HA ALA 114 1.489 3.447 16.030 874 1HB ALA 114 1HB ALA 114 1.697 5.794 16.801 875 2HB ALA 114 2HB ALA 114 0.560 6.313 15.532 876 3HB ALA 114 3HB ALA 114 0.014 5.242 16.839 877 H THR 115 H THR 115 0.644 4.728 12.834 878 HA THR 115 HA THR 115 -1.912 3.201 13.002 879 HB THR 115 HB THR 115 -1.712 5.750 12.372 880 HG1 THR 115 1HG THR 115 -3.612 5.569 11.624 881 1HG2 THR 115 1HG2 THR 115 -0.218 5.445 10.404 882 2HG2 THR 115 2HG2 THR 115 -1.471 4.466 9.622 883 3HG2 THR 115 3HG2 THR 115 -1.791 6.170 10.005 884 H LEU 116 H LEU 116 1.172 3.496 11.229 885 HA LEU 116 HA LEU 116 0.743 1.689 9.122 886 1HB LEU 116 1HB LEU 116 2.714 3.228 9.609 887 2HB LEU 116 2HB LEU 116 3.259 2.054 10.790 888 HG LEU 116 HG LEU 116 4.566 1.954 8.803 889 1HD1 LEU 116 1HD1 LEU 116 4.623 -0.355 8.352 890 2HD1 LEU 116 2HD1 LEU 116 4.156 -0.166 10.035 891 3HD1 LEU 116 3HD1 LEU 116 2.935 -0.575 8.825 892 1HD2 LEU 116 1HD2 LEU 116 3.016 2.759 7.110 893 2HD2 LEU 116 2HD2 LEU 116 3.754 1.235 6.615 894 3HD2 LEU 116 3HD2 LEU 116 2.079 1.258 7.201 895 H GLU 117 H GLU 117 1.823 1.077 12.501 896 HA GLU 117 HA GLU 117 2.059 -1.721 12.286 897 1HB GLU 117 1HB GLU 117 2.286 -1.735 14.656 898 2HB GLU 117 2HB GLU 117 3.069 -0.314 14.025 899 1HG GLU 117 1HG GLU 117 2.063 0.764 15.691 900 2HG GLU 117 2HG GLU 117 0.666 0.806 14.629 901 H GLU 118 H GLU 118 -0.863 0.274 12.905 902 HA GLU 118 HA GLU 118 -2.440 -1.954 13.848 903 1HB GLU 118 1HB GLU 118 -3.155 0.473 14.098 904 2HB GLU 118 2HB GLU 118 -3.429 0.510 12.354 905 1HG GLU 118 1HG GLU 118 -4.965 -1.635 12.854 906 2HG GLU 118 2HG GLU 118 -4.946 -1.027 14.491 907 H LYS 119 H LYS 119 -1.734 -0.586 10.608 908 HA LYS 119 HA LYS 119 -3.694 -2.350 9.370 909 1HB LYS 119 1HB LYS 119 -1.495 -1.334 7.650 910 2HB LYS 119 2HB LYS 119 -3.201 -1.493 7.320 911 1HG LYS 119 1HG LYS 119 -1.821 0.675 8.933 912 2HG LYS 119 2HG LYS 119 -2.531 0.854 7.356 913 1HD LYS 119 1HD LYS 119 -4.794 0.623 8.222 914 2HD LYS 119 2HD LYS 119 -4.187 0.172 9.826 915 1HE LYS 119 1HE LYS 119 -2.862 2.433 9.670 916 2HE LYS 119 2HE LYS 119 -4.083 2.871 8.468 917 1HZ LYS 119 1HZ LYS 119 -4.317 3.290 11.040 918 2HZ LYS 119 2HZ LYS 119 -5.603 3.111 10.080 919 3HZ LYS 119 3HZ LYS 119 -5.089 1.829 10.990 920 H LEU 120 H LEU 120 -0.156 -2.494 9.903 921 HA LEU 120 HA LEU 120 0.254 -5.060 8.709 922 1HB LEU 120 1HB LEU 120 1.670 -3.755 11.063 923 2HB LEU 120 2HB LEU 120 2.129 -5.308 10.378 924 HG LEU 120 HG LEU 120 2.217 -2.641 8.957 925 1HD1 LEU 120 1HD1 LEU 120 4.673 -3.050 8.916 926 2HD1 LEU 120 2HD1 LEU 120 4.033 -2.905 10.547 927 3HD1 LEU 120 3HD1 LEU 120 4.423 -4.513 9.902 928 1HD2 LEU 120 1HD2 LEU 120 1.681 -4.258 7.265 929 2HD2 LEU 120 2HD2 LEU 120 3.394 -3.893 7.117 930 3HD2 LEU 120 3HD2 LEU 120 2.886 -5.410 7.895 931 H ASN 121 H ASN 121 -0.568 -4.269 12.148 932 HA ASN 121 HA ASN 121 -0.787 -6.882 13.088 933 1HB ASN 121 1HB ASN 121 -0.934 -4.898 14.557 934 2HB ASN 121 2HB ASN 121 -2.484 -4.460 13.843 935 1HD2 ASN 121 1HD2 ASN 121 -0.836 -6.796 15.915 936 2HD2 ASN 121 2HD2 ASN 121 -2.283 -7.559 16.556 937 H LYS 122 H LYS 122 -3.334 -4.905 11.544 938 HA LYS 122 HA LYS 122 -5.399 -6.834 11.717 939 1HB LYS 122 1HB LYS 122 -4.929 -4.507 9.820 940 2HB LYS 122 2HB LYS 122 -6.308 -5.603 9.623 941 1HG LYS 122 1HG LYS 122 -6.999 -5.212 11.940 942 2HG LYS 122 2HG LYS 122 -5.695 -4.042 12.182 943 1HD LYS 122 1HD LYS 122 -7.921 -3.814 10.122 944 2HD LYS 122 2HD LYS 122 -7.977 -3.063 11.711 945 1HE LYS 122 1HE LYS 122 -6.156 -1.601 11.258 946 2HE LYS 122 2HE LYS 122 -5.716 -2.476 9.786 947 1HZ LYS 122 1HZ LYS 122 -8.195 -0.908 10.194 948 2HZ LYS 122 2HZ LYS 122 -6.965 -0.475 9.228 949 3HZ LYS 122 3HZ LYS 122 -7.865 -1.807 8.855 950 H ILE 123 H ILE 123 -3.264 -6.252 8.811 951 HA ILE 123 HA ILE 123 -4.385 -8.615 7.580 952 HB ILE 123 HB ILE 123 -2.592 -8.286 5.883 953 1HG1 ILE 123 1HG1 ILE 123 -1.494 -6.452 7.908 954 2HG1 ILE 123 2HG1 ILE 123 -0.708 -7.261 6.617 955 1HG2 ILE 123 1HG2 ILE 123 -4.283 -5.842 6.500 956 2HG2 ILE 123 2HG2 ILE 123 -3.696 -6.429 4.912 957 3HG2 ILE 123 3HG2 ILE 123 -4.880 -7.365 5.809 958 1HD1 ILE 123 1HD1 ILE 123 -0.568 -4.792 6.479 959 2HD1 ILE 123 2HD1 ILE 123 -1.364 -5.479 5.055 960 3HD1 ILE 123 3HD1 ILE 123 -2.310 -4.669 6.320 961 H PHE 124 H PHE 124 -1.598 -8.204 9.720 962 HA PHE 124 HA PHE 124 -0.355 -10.702 9.242 963 1HB PHE 124 1HB PHE 124 -0.713 -8.983 11.709 964 2HB PHE 124 2HB PHE 124 0.075 -10.538 11.788 965 HD1 PHE 124 1HD PHE 124 1.853 -9.058 12.880 966 HD2 PHE 124 2HD PHE 124 0.974 -8.922 8.658 967 HE1 PHE 124 1HE PHE 124 4.067 -8.007 12.431 968 HE2 PHE 124 2HE PHE 124 3.179 -7.934 8.224 969 HZ PHE 124 HZ PHE 124 4.734 -7.446 10.126 970 H GLU 125 H GLU 125 -3.002 -9.783 11.522 971 HA GLU 125 HA GLU 125 -3.418 -12.536 12.270 972 1HB GLU 125 1HB GLU 125 -5.165 -10.034 12.486 973 2HB GLU 125 2HB GLU 125 -5.567 -11.568 13.244 974 1HG GLU 125 1HG GLU 125 -2.839 -10.515 13.927 975 2HG GLU 125 2HG GLU 125 -4.190 -9.504 14.437 976 H LYS 126 H LYS 126 -5.061 -10.316 9.988 977 HA LYS 126 HA LYS 126 -7.282 -12.039 9.686 978 1HB LYS 126 1HB LYS 126 -7.128 -9.490 9.748 979 2HB LYS 126 2HB LYS 126 -6.589 -9.528 8.067 980 1HG LYS 126 1HG LYS 126 -9.192 -10.668 9.164 981 2HG LYS 126 2HG LYS 126 -9.040 -9.025 8.550 982 1HD LYS 126 1HD LYS 126 -8.200 -11.313 6.799 983 2HD LYS 126 2HD LYS 126 -9.909 -10.994 7.067 984 1HE LYS 126 1HE LYS 126 -9.454 -8.579 6.311 985 2HE LYS 126 2HE LYS 126 -7.853 -9.144 5.811 986 1HZ LYS 126 1HZ LYS 126 -10.478 -9.904 4.716 987 2HZ LYS 126 2HZ LYS 126 -9.186 -9.335 3.896 988 3HZ LYS 126 3HZ LYS 126 -9.157 -10.857 4.477 989 H LEU 127 H LEU 127 -4.945 -10.845 7.100 990 HA LEU 127 HA LEU 127 -5.675 -12.966 5.319 991 1HB LEU 127 1HB LEU 127 -3.019 -11.496 5.327 992 2HB LEU 127 2HB LEU 127 -3.827 -12.254 3.977 993 HG LEU 127 HG LEU 127 -4.580 -9.689 5.422 994 1HD1 LEU 127 1HD1 LEU 127 -3.857 -10.244 2.516 995 2HD1 LEU 127 2HD1 LEU 127 -4.400 -8.673 3.151 996 3HD1 LEU 127 3HD1 LEU 127 -2.890 -9.377 3.725 997 1HD2 LEU 127 1HD2 LEU 127 -6.219 -11.136 3.336 998 2HD2 LEU 127 2HD2 LEU 127 -6.673 -10.848 5.017 999 3HD2 LEU 127 3HD2 LEU 127 -6.512 -9.473 3.930 1000 H GLY 128 H GLY 128 -3.051 -12.466 7.686 1001 1HA GLY 128 1HA GLY 128 -2.525 -14.448 9.127 1002 2HA GLY 128 2HA GLY 128 -2.416 -15.379 7.636 1003 H MET 129 H MET 129 -1.267 -11.965 7.704 1004 HA MET 129 HA MET 129 0.992 -13.198 6.335 1005 1HB MET 129 2HB MET 129 1.733 -10.517 6.495 1006 2HB MET 129 3HB MET 129 1.135 -11.463 5.140 1007 1HG MET 129 2HG MET 129 -1.183 -10.758 5.868 1008 2HG MET 129 3HG MET 129 -0.364 -9.594 6.921 1009 1HE MET 129 1HE MET 129 -0.715 -9.662 2.351 1010 2HE MET 129 2HE MET 129 0.528 -10.714 3.040 1011 3HE MET 129 3HE MET 129 -1.168 -10.919 3.511
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