NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
550624 | 2lqt | 18328 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASN 14 H1 ASN 14 -1.865 -6.898 -1.621 2 HA ASN 14 HA ASN 14 -1.978 -6.483 -4.524 3 HB2 ASN 14 HB2 ASN 14 -4.156 -6.116 -3.358 4 HB3 ASN 14 HB3 ASN 14 -3.384 -4.918 -2.309 5 HD21 ASN 14 HD21 ASN 14 -4.354 -5.655 -5.697 6 HD22 ASN 14 HD22 ASN 14 -4.105 -4.026 -6.291 7 HA PRO 15 HA PRO 15 1.741 -4.336 -3.604 8 HB2 PRO 15 HB2 PRO 15 2.338 -3.222 -6.014 9 HB3 PRO 15 HB3 PRO 15 2.306 -4.990 -5.754 10 HG2 PRO 15 HG2 PRO 15 0.078 -3.259 -6.878 11 HG3 PRO 15 HG3 PRO 15 0.784 -4.749 -7.589 12 HD2 PRO 15 HD2 PRO 15 -1.470 -4.789 -6.081 13 HD3 PRO 15 HD3 PRO 15 -0.273 -6.115 -5.980 14 H CYS 16 H CYS 16 2.791 -2.156 -3.596 15 HA CYS 16 HA CYS 16 0.838 0.107 -3.577 16 HB2 CYS 16 2HB CYS 16 2.059 -0.920 -1.399 17 HB3 CYS 16 3HB CYS 16 3.309 0.212 -1.902 18 H LEU 17 H LEU 17 1.186 0.663 -5.739 19 HA LEU 17 HA LEU 17 3.706 0.591 -6.999 20 HB2 LEU 17 HB2 LEU 17 1.004 1.750 -7.663 21 HB3 LEU 17 HB3 LEU 17 2.353 2.262 -8.644 22 HG LEU 17 HG LEU 17 1.094 0.413 -9.642 23 HD11 LEU 17 HD11 LEU 17 2.987 -0.918 -10.351 24 HD12 LEU 17 HD12 LEU 17 3.943 -0.410 -8.948 25 HD13 LEU 17 HD13 LEU 17 3.484 0.775 -10.191 26 HD21 LEU 17 HD21 LEU 17 0.515 -0.853 -7.593 27 HD22 LEU 17 HD22 LEU 17 2.222 -1.332 -7.421 28 HD23 LEU 17 HD23 LEU 17 1.280 -1.867 -8.827 29 H SER 18 H SER 18 2.425 3.127 -5.030 30 HA SER 18 HA SER 18 4.048 5.341 -5.906 31 HB2 SER 18 HB2 SER 18 2.975 4.569 -3.172 32 HB3 SER 18 HB3 SER 18 3.667 6.155 -3.554 33 HG SER 18 HG SER 18 1.299 4.945 -4.479 34 H GLU 19 H GLU 19 4.618 2.785 -3.472 35 HA GLU 19 HA GLU 19 7.330 3.811 -2.877 36 HB2 GLU 19 HB2 GLU 19 5.969 1.269 -1.942 37 HB3 GLU 19 HB3 GLU 19 7.464 1.960 -1.316 38 HG2 GLU 19 HG2 GLU 19 4.652 3.103 -1.055 39 HG3 GLU 19 HG3 GLU 19 5.616 2.372 0.217 40 H SER 20 H SER 20 5.757 1.335 -4.905 41 HA SER 20 HA SER 20 8.166 -0.065 -5.634 42 HB2 SER 20 HB2 SER 20 5.750 0.396 -7.403 43 HB3 SER 20 HB3 SER 20 7.023 -0.804 -7.641 44 HG SER 20 HG SER 20 6.442 -1.692 -5.569 45 H ASP 21 H ASP 21 6.579 2.718 -7.397 46 HA ASP 21 HA ASP 21 8.667 2.918 -9.343 47 HB2 ASP 21 HB2 ASP 21 6.457 3.904 -9.664 48 HB3 ASP 21 HB3 ASP 21 6.701 4.989 -8.296 49 H ALA 22 H ALA 22 8.221 4.739 -6.254 50 HA ALA 22 HA ALA 22 10.572 6.311 -6.625 51 HB1 ALA 22 HB1 ALA 22 10.135 7.092 -4.391 52 HB2 ALA 22 HB2 ALA 22 8.612 6.917 -5.254 53 HB3 ALA 22 HB3 ALA 22 9.081 5.690 -4.051 54 H SER 23 H SER 23 10.150 3.140 -4.950 55 HA SER 23 HA SER 23 12.879 3.018 -4.009 56 HB2 SER 23 HB2 SER 23 12.589 0.609 -3.802 57 HB3 SER 23 HB3 SER 23 11.242 1.493 -3.079 58 HG SER 23 HG SER 23 9.949 0.951 -4.702 59 H THR 24 H THR 24 11.359 1.847 -7.100 60 HA THR 24 HA THR 24 13.774 0.840 -8.224 61 HB THR 24 HB THR 24 11.432 2.142 -9.662 62 HG1 THR 24 HG1 THR 24 10.575 0.204 -9.642 63 HG21 THR 24 HG21 THR 24 12.087 0.655 -11.538 64 HG22 THR 24 HG22 THR 24 13.523 0.135 -10.626 65 HG23 THR 24 HG23 THR 24 13.376 1.814 -11.178 66 H ARG 25 H ARG 25 12.437 4.168 -8.327 67 HA ARG 25 HA ARG 25 14.555 5.383 -9.849 68 HB2 ARG 25 HB2 ARG 25 12.376 6.320 -8.004 69 HB3 ARG 25 HB3 ARG 25 13.735 7.395 -8.205 70 HG2 ARG 25 HG2 ARG 25 11.997 8.033 -9.672 71 HG3 ARG 25 HG3 ARG 25 13.394 7.544 -10.606 72 HD2 ARG 25 HD2 ARG 25 11.024 5.693 -10.140 73 HD3 ARG 25 HD3 ARG 25 11.009 6.917 -11.398 74 HE ARG 25 HE ARG 25 13.296 5.709 -12.046 75 HH11 ARG 25 HH11 ARG 25 10.057 4.415 -11.577 76 HH12 ARG 25 HH12 ARG 25 10.341 3.073 -12.655 77 HH21 ARG 25 HH21 ARG 25 13.609 3.956 -13.386 78 HH22 ARG 25 HH22 ARG 25 12.285 2.850 -13.680 79 H CYS 26 H CYS 26 14.254 4.970 -6.273 80 HA CYS 26 HA CYS 26 16.754 6.149 -5.593 81 HB2 CYS 26 2HB CYS 26 15.200 5.657 -3.833 82 HB3 CYS 26 3HB CYS 26 15.138 3.946 -4.259 83 H LEU 27 H LEU 27 16.013 2.732 -6.305 84 HA LEU 27 HA LEU 27 18.674 1.767 -5.798 85 HB2 LEU 27 HB2 LEU 27 16.096 0.761 -7.014 86 HB3 LEU 27 HB3 LEU 27 17.555 -0.179 -7.271 87 HG LEU 27 HG LEU 27 17.955 -0.513 -5.045 88 HD11 LEU 27 HD11 LEU 27 16.674 0.229 -3.111 89 HD12 LEU 27 HD12 LEU 27 15.792 1.376 -4.132 90 HD13 LEU 27 HD13 LEU 27 17.551 1.533 -3.884 91 HD21 LEU 27 HD21 LEU 27 14.908 -0.648 -5.293 92 HD22 LEU 27 HD22 LEU 27 15.924 -1.750 -4.344 93 HD23 LEU 27 HD23 LEU 27 15.991 -1.763 -6.120 94 H ASP 28 H ASP 28 17.036 2.577 -8.775 95 HA ASP 28 HA ASP 28 19.173 2.259 -10.636 96 HB2 ASP 28 HB2 ASP 28 16.910 2.640 -11.369 97 HB3 ASP 28 HB3 ASP 28 16.823 4.180 -10.506 98 H GLU 29 H GLU 29 18.390 5.187 -8.577 99 HA GLU 29 HA GLU 29 20.586 6.757 -9.514 100 HB2 GLU 29 HB2 GLU 29 18.622 6.849 -7.347 101 HB3 GLU 29 HB3 GLU 29 20.161 7.378 -6.749 102 HG2 GLU 29 HG2 GLU 29 18.940 8.461 -9.341 103 HG3 GLU 29 HG3 GLU 29 18.499 9.090 -7.767 104 H ASN 30 H ASN 30 20.489 4.381 -6.830 105 HA ASN 30 HA ASN 30 23.454 4.655 -6.553 106 HB2 ASN 30 HB2 ASN 30 22.922 4.411 -4.075 107 HB3 ASN 30 HB3 ASN 30 22.591 5.955 -4.860 108 HD21 ASN 30 HD21 ASN 30 20.872 2.910 -4.252 109 HD22 ASN 30 HD22 ASN 30 19.320 3.682 -4.028 110 H ASN 31 H ASN 31 23.973 2.811 -7.658 111 HA ASN 31 HA ASN 31 24.685 0.676 -7.846 112 HB2 ASN 31 HB2 ASN 31 24.956 1.119 -4.851 113 HB3 ASN 31 HB3 ASN 31 25.848 -0.078 -5.781 114 HD21 ASN 31 HD21 ASN 31 27.374 1.515 -4.356 115 HD22 ASN 31 HD22 ASN 31 28.105 2.785 -5.355 116 H TYR 32 H TYR 32 21.687 0.591 -7.493 117 HA TYR 32 HA TYR 32 20.012 -0.684 -6.874 118 HB2 TYR 32 HB2 TYR 32 21.006 -2.095 -8.611 119 HB3 TYR 32 HB3 TYR 32 21.904 -2.983 -7.395 120 HD1 TYR 32 HD1 TYR 32 18.589 -2.213 -6.180 121 HD2 TYR 32 HD2 TYR 32 20.776 -4.868 -8.769 122 HE1 TYR 32 HE1 TYR 32 16.762 -3.834 -6.022 123 HE2 TYR 32 HE2 TYR 32 18.929 -6.526 -8.601 124 HH TYR 32 HH TYR 32 15.991 -5.857 -6.627 125 H ASP 33 H ASP 33 21.207 0.481 -4.760 126 HA ASP 33 HA ASP 33 21.760 -1.414 -2.691 127 HB2 ASP 33 HB2 ASP 33 22.855 0.865 -3.084 128 HB3 ASP 33 HB3 ASP 33 21.500 1.540 -2.174 129 H ARG 34 H ARG 34 19.664 -2.324 -3.246 130 HA ARG 34 HA ARG 34 17.106 -1.629 -2.312 131 HB2 ARG 34 HB2 ARG 34 16.676 -4.054 -2.397 132 HB3 ARG 34 HB3 ARG 34 17.533 -3.470 -3.816 133 HG2 ARG 34 HG2 ARG 34 19.648 -4.361 -3.032 134 HG3 ARG 34 HG3 ARG 34 18.946 -4.787 -1.469 135 HD2 ARG 34 HD2 ARG 34 17.508 -6.471 -2.542 136 HD3 ARG 34 HD3 ARG 34 18.061 -5.955 -4.140 137 HE ARG 34 HE ARG 34 19.882 -7.307 -3.920 138 HH11 ARG 34 HH11 ARG 34 18.748 -6.854 -0.592 139 HH12 ARG 34 HH12 ARG 34 20.226 -7.608 0.022 140 HH21 ARG 34 HH21 ARG 34 21.741 -8.077 -2.926 141 HH22 ARG 34 HH22 ARG 34 21.718 -8.307 -1.179 142 H GLU 35 H GLU 35 19.781 -2.582 -0.330 143 HA GLU 35 HA GLU 35 18.041 -2.917 2.046 144 HB2 GLU 35 HB2 GLU 35 21.032 -3.083 1.693 145 HB3 GLU 35 HB3 GLU 35 20.256 -3.132 3.263 146 HG2 GLU 35 HG2 GLU 35 19.629 -5.100 1.031 147 HG3 GLU 35 HG3 GLU 35 20.819 -5.380 2.296 148 H ARG 36 H ARG 36 20.146 -0.362 0.664 149 HA ARG 36 HA ARG 36 19.727 1.365 3.046 150 HB2 ARG 36 HB2 ARG 36 21.238 1.683 0.461 151 HB3 ARG 36 HB3 ARG 36 20.800 3.097 1.396 152 HG2 ARG 36 HG2 ARG 36 23.038 2.380 1.962 153 HG3 ARG 36 HG3 ARG 36 21.961 2.348 3.354 154 HD2 ARG 36 HD2 ARG 36 21.780 -0.080 3.257 155 HD3 ARG 36 HD3 ARG 36 22.715 -0.138 1.762 156 HE ARG 36 HE ARG 36 23.715 0.100 4.466 157 HH11 ARG 36 HH11 ARG 36 24.605 0.780 1.098 158 HH12 ARG 36 HH12 ARG 36 26.282 1.021 1.541 159 HH21 ARG 36 HH21 ARG 36 25.798 0.565 4.915 160 HH22 ARG 36 HH22 ARG 36 26.930 0.903 3.641 161 H CYS 37 H CYS 37 18.005 0.737 0.126 162 HA CYS 37 HA CYS 37 16.029 2.773 1.105 163 HB2 CYS 37 2HB CYS 37 16.708 1.846 -1.612 164 HB3 CYS 37 3HB CYS 37 15.006 2.206 -1.303 165 H SER 38 H SER 38 16.479 0.068 2.331 166 HA SER 38 HA SER 38 14.319 -1.701 1.992 167 HB2 SER 38 HB2 SER 38 15.877 -0.780 4.425 168 HB3 SER 38 HB3 SER 38 14.573 -1.972 4.545 169 HG SER 38 HG SER 38 16.915 -2.608 4.134 170 H THR 39 H THR 39 14.269 1.475 3.576 171 HA THR 39 HA THR 39 11.905 1.259 5.091 172 HB THR 39 HB THR 39 12.868 3.738 3.606 173 HG1 THR 39 HG1 THR 39 14.032 4.113 5.539 174 HG21 THR 39 HG21 THR 39 10.669 3.968 4.766 175 HG22 THR 39 HG22 THR 39 11.932 4.961 5.502 176 HG23 THR 39 HG23 THR 39 11.426 3.437 6.277 177 H TYR 40 H TYR 40 12.255 1.809 1.610 178 HA TYR 40 HA TYR 40 9.517 2.608 1.083 179 HB2 TYR 40 HB2 TYR 40 11.641 1.364 -0.711 180 HB3 TYR 40 HB3 TYR 40 10.100 2.006 -1.245 181 HD1 TYR 40 HD1 TYR 40 13.073 3.268 0.803 182 HD2 TYR 40 HD2 TYR 40 10.195 4.034 -2.323 183 HE1 TYR 40 HE1 TYR 40 14.135 5.445 0.364 184 HE2 TYR 40 HE2 TYR 40 11.380 6.150 -2.856 185 HH TYR 40 HH TYR 40 13.150 7.523 -2.385 186 H PHE 41 H PHE 41 11.276 -0.535 0.883 187 HA PHE 41 HA PHE 41 8.971 -2.069 0.125 188 HB2 PHE 41 HB2 PHE 41 11.544 -2.958 1.463 189 HB3 PHE 41 HB3 PHE 41 10.350 -4.016 0.721 190 HD1 PHE 41 HD2 PHE 41 9.696 -3.367 -1.819 191 HD2 PHE 41 HD1 PHE 41 13.399 -2.334 0.134 192 HE1 PHE 41 HE2 PHE 41 10.772 -3.019 -4.030 193 HE2 PHE 41 HE1 PHE 41 14.473 -2.008 -2.070 194 HZ PHE 41 HZ PHE 41 13.159 -2.338 -4.160 195 H LEU 42 H LEU 42 10.279 -1.142 3.306 196 HA LEU 42 HA LEU 42 8.365 -2.602 4.861 197 HB2 LEU 42 HB2 LEU 42 10.273 -1.778 5.998 198 HB3 LEU 42 HB3 LEU 42 10.129 -0.186 5.286 199 HG LEU 42 HG LEU 42 8.194 0.345 6.717 200 HD11 LEU 42 HD11 LEU 42 8.788 -2.313 8.080 201 HD12 LEU 42 HD12 LEU 42 7.330 -1.949 7.130 202 HD13 LEU 42 HD13 LEU 42 7.636 -1.075 8.631 203 HD21 LEU 42 HD21 LEU 42 10.656 -0.652 8.207 204 HD22 LEU 42 HD22 LEU 42 9.470 0.530 8.809 205 HD23 LEU 42 HD23 LEU 42 10.475 0.928 7.410 206 H ARG 43 H ARG 43 8.158 0.814 3.719 207 HA ARG 43 HA ARG 43 5.431 1.190 4.573 208 HB2 ARG 43 HB2 ARG 43 7.075 2.460 2.359 209 HB3 ARG 43 HB3 ARG 43 5.450 2.994 2.816 210 HG2 ARG 43 HG2 ARG 43 6.218 3.311 5.161 211 HG3 ARG 43 HG3 ARG 43 7.847 2.902 4.680 212 HD2 ARG 43 HD2 ARG 43 6.144 5.275 3.796 213 HD3 ARG 43 HD3 ARG 43 7.599 5.339 4.779 214 HE ARG 43 HE ARG 43 7.512 4.634 1.844 215 HH11 ARG 43 HH11 ARG 43 9.443 6.127 4.458 216 HH12 ARG 43 HH12 ARG 43 10.618 6.615 3.244 217 HH21 ARG 43 HH21 ARG 43 9.076 5.162 0.596 218 HH22 ARG 43 HH22 ARG 43 10.512 6.018 1.229 219 H TYR 44 H TYR 44 6.727 -0.432 1.797 220 HA TYR 44 HA TYR 44 4.160 -0.669 0.400 221 HB2 TYR 44 HB2 TYR 44 6.111 -0.795 -0.902 222 HB3 TYR 44 HB3 TYR 44 6.818 -2.057 0.094 223 HD1 TYR 44 HD1 TYR 44 5.834 -4.399 0.002 224 HD2 TYR 44 HD2 TYR 44 4.951 -1.286 -2.854 225 HE1 TYR 44 HE1 TYR 44 5.214 -6.117 -1.686 226 HE2 TYR 44 HE2 TYR 44 4.327 -3.016 -4.539 227 HH TYR 44 HH TYR 44 4.752 -6.474 -3.916 228 H LYS 45 H LYS 45 5.977 -2.899 2.632 229 HA LYS 45 HA LYS 45 3.828 -4.829 2.796 230 HB2 LYS 45 HB2 LYS 45 6.132 -4.163 4.669 231 HB3 LYS 45 HB3 LYS 45 4.913 -5.388 5.029 232 HG2 LYS 45 HG2 LYS 45 5.479 -6.456 2.760 233 HG3 LYS 45 HG3 LYS 45 6.910 -5.405 2.741 234 HD2 LYS 45 HD2 LYS 45 7.597 -6.334 4.945 235 HD3 LYS 45 HD3 LYS 45 6.148 -7.360 4.966 236 HE2 LYS 45 HE2 LYS 45 6.946 -8.445 2.834 237 HE3 LYS 45 HE3 LYS 45 8.440 -7.500 2.970 238 HZ1 LYS 45 HZ1 LYS 45 8.785 -8.536 5.160 239 HZ2 LYS 45 HZ2 LYS 45 8.770 -9.656 3.970 240 HZ3 LYS 45 HZ3 LYS 45 7.453 -9.491 4.940 241 H ASN 46 H ASN 46 4.394 -1.851 4.710 242 HA ASN 46 HA ASN 46 2.170 -2.234 6.492 243 HB2 ASN 46 HB2 ASN 46 3.202 0.410 5.350 244 HB3 ASN 46 HB3 ASN 46 2.267 0.201 6.815 245 HD21 ASN 46 HD21 ASN 46 4.646 1.639 6.611 246 HD22 ASN 46 HD22 ASN 46 5.901 0.829 7.538 247 H CYS 47 H CYS 47 2.329 -0.630 3.266 248 HA CYS 47 HA CYS 47 -0.406 0.071 3.027 249 HB2 CYS 47 2HB CYS 47 1.420 0.960 1.697 250 HB3 CYS 47 3HB CYS 47 1.801 -0.618 1.058 251 H ARG 48 H ARG 48 1.318 -2.916 1.936 252 HA ARG 48 HA ARG 48 -0.920 -4.344 0.951 253 HB2 ARG 48 HB2 ARG 48 1.543 -5.438 2.379 254 HB3 ARG 48 HB3 ARG 48 0.375 -6.389 1.470 255 HG2 ARG 48 HG2 ARG 48 1.161 -4.240 -0.259 256 HG3 ARG 48 HG3 ARG 48 2.637 -4.822 0.498 257 HD2 ARG 48 HD2 ARG 48 0.640 -6.705 -0.804 258 HD3 ARG 48 HD3 ARG 48 1.950 -5.898 -1.674 259 HE ARG 48 HE ARG 48 2.787 -7.334 0.761 260 HH11 ARG 48 HH11 ARG 48 2.251 -7.904 -2.663 261 HH12 ARG 48 HH12 ARG 48 3.533 -9.070 -2.741 262 HH21 ARG 48 HH21 ARG 48 4.320 -8.798 0.611 263 HH22 ARG 48 HH22 ARG 48 4.774 -9.470 -0.961 264 H ARG 49 H ARG 49 0.390 -4.335 4.291 265 HA ARG 49 HA ARG 49 -1.536 -6.073 5.449 266 HB2 ARG 49 HB2 ARG 49 0.644 -5.443 6.463 267 HB3 ARG 49 HB3 ARG 49 0.013 -3.823 6.805 268 HG2 ARG 49 HG2 ARG 49 -1.789 -4.852 8.207 269 HG3 ARG 49 HG3 ARG 49 -1.107 -6.452 7.894 270 HD2 ARG 49 HD2 ARG 49 0.216 -4.148 9.385 271 HD3 ARG 49 HD3 ARG 49 -0.482 -5.595 10.097 272 HE ARG 49 HE ARG 49 1.279 -6.943 9.232 273 HH11 ARG 49 HH11 ARG 49 2.035 -3.464 8.927 274 HH12 ARG 49 HH12 ARG 49 3.655 -3.869 8.373 275 HH21 ARG 49 HH21 ARG 49 3.376 -7.222 8.465 276 HH22 ARG 49 HH22 ARG 49 4.412 -5.813 8.343 277 H PHE 50 H PHE 50 -1.587 -2.485 5.260 278 HA PHE 50 HA PHE 50 -4.024 -2.073 6.619 279 HB2 PHE 50 HB2 PHE 50 -2.443 -0.306 5.856 280 HB3 PHE 50 HB3 PHE 50 -2.931 -0.553 4.206 281 HD1 PHE 50 HD2 PHE 50 -4.317 0.353 7.582 282 HD2 PHE 50 HD1 PHE 50 -4.854 0.517 3.308 283 HE1 PHE 50 HE2 PHE 50 -6.359 1.738 7.886 284 HE2 PHE 50 HE1 PHE 50 -6.881 1.910 3.613 285 HZ PHE 50 HZ PHE 50 -7.657 2.494 5.904 286 H TRP 51 H TRP 51 -3.553 -2.340 3.062 287 HA TRP 51 HA TRP 51 -6.381 -2.387 2.609 288 HB2 TRP 51 HB2 TRP 51 -4.088 -3.121 0.780 289 HB3 TRP 51 HB3 TRP 51 -5.768 -3.013 0.289 290 HD1 TRP 51 HD1 TRP 51 -2.795 -0.880 0.374 291 HE1 TRP 51 HE1 TRP 51 -3.414 1.518 -0.200 292 HE3 TRP 51 HE3 TRP 51 -7.812 -1.035 1.416 293 HZ2 TRP 51 HZ2 TRP 51 -5.644 3.285 0.228 294 HZ3 TRP 51 HZ3 TRP 51 -9.139 1.070 1.417 295 HH2 TRP 51 HH2 TRP 51 -8.053 3.242 0.861 296 H ASN 52 H ASN 52 -4.154 -5.147 3.151 297 HA ASN 52 HA ASN 52 -6.115 -7.213 2.791 298 HB2 ASN 52 HB2 ASN 52 -3.522 -6.873 4.350 299 HB3 ASN 52 HB3 ASN 52 -4.457 -8.322 4.504 300 HD21 ASN 52 HD21 ASN 52 -1.761 -8.217 3.441 301 HD22 ASN 52 HD22 ASN 52 -1.883 -8.740 1.774 302 H SER 53 H SER 53 -5.457 -5.022 5.538 303 HA SER 53 HA SER 53 -7.221 -6.271 7.425 304 HB2 SER 53 HB2 SER 53 -5.431 -4.439 7.824 305 HB3 SER 53 HB3 SER 53 -6.665 -3.291 7.300 306 HG SER 53 HG SER 53 -6.624 -3.522 9.490 307 H ILE 54 H ILE 54 -7.723 -3.623 5.049 308 HA ILE 54 HA ILE 54 -10.514 -3.188 5.580 309 HB ILE 54 HB ILE 54 -8.778 -2.696 3.131 310 HG12 ILE 54 HG12 ILE 54 -8.075 -1.396 5.088 311 HG13 ILE 54 HG13 ILE 54 -8.709 -0.380 3.818 312 HG21 ILE 54 HG21 ILE 54 -11.634 -1.779 3.609 313 HG22 ILE 54 HG22 ILE 54 -10.537 -1.091 2.389 314 HG23 ILE 54 HG23 ILE 54 -11.014 -2.781 2.279 315 HD11 ILE 54 HD11 ILE 54 -10.185 -1.164 6.370 316 HD12 ILE 54 HD12 ILE 54 -9.440 0.400 6.014 317 HD13 ILE 54 HD13 ILE 54 -10.848 -0.129 5.080 318 H VAL 55 H VAL 55 -8.880 -5.283 3.183 319 HA VAL 55 HA VAL 55 -11.148 -6.488 1.995 320 HB VAL 55 HB VAL 55 -8.348 -7.463 2.594 321 HG11 VAL 55 HG11 VAL 55 -10.443 -9.021 1.036 322 HG12 VAL 55 HG12 VAL 55 -8.699 -9.340 1.028 323 HG13 VAL 55 HG13 VAL 55 -9.612 -9.542 2.520 324 HG21 VAL 55 HG21 VAL 55 -9.730 -6.891 -0.046 325 HG22 VAL 55 HG22 VAL 55 -8.827 -5.662 0.859 326 HG23 VAL 55 HG23 VAL 55 -7.995 -7.103 0.270 327 H MET 56 H MET 56 -9.374 -7.624 4.962 328 HA MET 56 HA MET 56 -11.317 -9.652 5.534 329 HB2 MET 56 HB2 MET 56 -9.200 -8.236 7.170 330 HB3 MET 56 HB3 MET 56 -10.277 -9.426 7.900 331 HG2 MET 56 HG2 MET 56 -8.536 -9.942 5.455 332 HG3 MET 56 HG3 MET 56 -8.101 -10.392 7.099 333 HE1 MET 56 HE1 MET 56 -10.474 -11.714 8.522 334 HE2 MET 56 HE2 MET 56 -10.290 -13.395 7.979 335 HE3 MET 56 HE3 MET 56 -8.851 -12.428 8.357 336 H GLN 57 H GLN 57 -11.304 -6.226 6.471 337 HA GLN 57 HA GLN 57 -13.579 -6.489 8.280 338 HB2 GLN 57 HB2 GLN 57 -12.484 -3.989 6.935 339 HB3 GLN 57 HB3 GLN 57 -13.706 -4.042 8.187 340 HG2 GLN 57 HG2 GLN 57 -10.798 -4.083 8.452 341 HG3 GLN 57 HG3 GLN 57 -12.024 -3.554 9.564 342 HE21 GLN 57 HE21 GLN 57 -9.904 -6.172 8.685 343 HE22 GLN 57 HE22 GLN 57 -10.300 -7.179 10.100 344 H ARG 58 H ARG 58 -13.295 -6.091 4.799 345 HA ARG 58 HA ARG 58 -16.222 -5.725 4.483 346 HB2 ARG 58 HB2 ARG 58 -13.881 -6.014 2.546 347 HB3 ARG 58 HB3 ARG 58 -15.568 -5.984 2.004 348 HG2 ARG 58 HG2 ARG 58 -15.940 -3.814 2.979 349 HG3 ARG 58 HG3 ARG 58 -14.318 -3.792 3.705 350 HD2 ARG 58 HD2 ARG 58 -13.228 -3.438 1.692 351 HD3 ARG 58 HD3 ARG 58 -14.541 -4.108 0.736 352 HE ARG 58 HE ARG 58 -14.957 -1.899 0.320 353 HH11 ARG 58 HH11 ARG 58 -14.885 -1.938 3.920 354 HH12 ARG 58 HH12 ARG 58 -15.358 -0.275 3.925 355 HH21 ARG 58 HH21 ARG 58 -15.664 -0.047 0.496 356 HH22 ARG 58 HH22 ARG 58 -15.809 0.814 2.032 357 H ARG 59 H ARG 59 -13.916 -8.352 4.292 358 HA ARG 59 HA ARG 59 -15.704 -10.216 3.047 359 HB2 ARG 59 HB2 ARG 59 -13.245 -10.300 2.960 360 HB3 ARG 59 HB3 ARG 59 -13.199 -10.830 4.652 361 HG2 ARG 59 HG2 ARG 59 -14.255 -12.895 4.127 362 HG3 ARG 59 HG3 ARG 59 -14.834 -12.314 2.559 363 HD2 ARG 59 HD2 ARG 59 -12.467 -12.106 1.802 364 HD3 ARG 59 HD3 ARG 59 -11.942 -12.915 3.297 365 HE ARG 59 HE ARG 59 -13.823 -14.650 2.233 366 HH11 ARG 59 HH11 ARG 59 -10.901 -13.232 0.857 367 HH12 ARG 59 HH12 ARG 59 -10.790 -14.459 -0.366 368 HH21 ARG 59 HH21 ARG 59 -13.417 -16.326 0.741 369 HH22 ARG 59 HH22 ARG 59 -12.374 -15.945 -0.607 370 H LYS 60 H LYS 60 -15.533 -9.251 6.360 371 HA LYS 60 HA LYS 60 -16.854 -11.400 7.615 372 HB2 LYS 60 HB2 LYS 60 -17.494 -9.891 9.306 373 HB3 LYS 60 HB3 LYS 60 -15.896 -9.398 8.726 374 HG2 LYS 60 HG2 LYS 60 -17.108 -7.614 7.325 375 HG3 LYS 60 HG3 LYS 60 -18.593 -8.079 8.183 376 HD2 LYS 60 HD2 LYS 60 -17.443 -7.689 10.343 377 HD3 LYS 60 HD3 LYS 60 -16.027 -7.084 9.458 378 HE2 LYS 60 HE2 LYS 60 -17.207 -5.174 8.651 379 HE3 LYS 60 HE3 LYS 60 -18.777 -5.851 9.102 380 HZ1 LYS 60 HZ1 LYS 60 -18.219 -5.599 11.428 381 HZ2 LYS 60 HZ2 LYS 60 -17.994 -4.144 10.660 382 HZ3 LYS 60 HZ3 LYS 60 -16.712 -5.031 11.090 383 H ASN 61 H ASN 61 -18.326 -9.139 5.340 384 HA ASN 61 HA ASN 61 -20.949 -10.475 5.788 385 HB2 ASN 61 HB2 ASN 61 -20.132 -8.017 4.225 386 HB3 ASN 61 HB3 ASN 61 -21.728 -8.756 4.111 387 HD21 ASN 61 HD21 ASN 61 -19.728 -6.673 6.012 388 HD22 ASN 61 HD22 ASN 61 -20.821 -6.588 7.395 389 H GLY 62 H GLY 62 -18.287 -10.509 3.484 390 HA2 GLY 62 HA2 GLY 62 -17.719 -12.118 1.976 391 HA3 GLY 62 HA3 GLY 62 -19.090 -13.061 2.513 392 H VAL 63 H VAL 63 -19.692 -9.891 1.105 393 HA VAL 63 HA VAL 63 -21.225 -11.319 -1.020 394 HB VAL 63 HB VAL 63 -22.521 -10.604 0.882 395 HG11 VAL 63 HG11 VAL 63 -21.344 -8.642 1.693 396 HG12 VAL 63 HG12 VAL 63 -21.726 -7.744 0.202 397 HG13 VAL 63 HG13 VAL 63 -23.012 -8.231 1.318 398 HG21 VAL 63 HG21 VAL 63 -24.300 -9.571 -0.302 399 HG22 VAL 63 HG22 VAL 63 -23.204 -8.920 -1.535 400 HG23 VAL 63 HG23 VAL 63 -23.476 -10.680 -1.409 401 H LYS 64 H LYS 64 -19.230 -8.421 -0.532 402 HA LYS 64 HA LYS 64 -19.617 -7.644 -3.408 403 HB2 LYS 64 HB2 LYS 64 -18.521 -5.525 -2.732 404 HB3 LYS 64 HB3 LYS 64 -20.012 -5.833 -1.850 405 HG2 LYS 64 HG2 LYS 64 -18.935 -6.162 0.152 406 HG3 LYS 64 HG3 LYS 64 -17.429 -6.724 -0.570 407 HD2 LYS 64 HD2 LYS 64 -17.314 -4.496 0.579 408 HD3 LYS 64 HD3 LYS 64 -16.697 -4.551 -1.073 409 HE2 LYS 64 HE2 LYS 64 -18.715 -3.483 -1.939 410 HE3 LYS 64 HE3 LYS 64 -19.519 -3.610 -0.363 411 HZ1 LYS 64 HZ1 LYS 64 -17.928 -2.075 0.539 412 HZ2 LYS 64 HZ2 LYS 64 -18.608 -1.376 -0.783 413 HZ3 LYS 64 HZ3 LYS 64 -17.095 -1.960 -0.893 414 HA PRO 65 HA PRO 65 -15.225 -8.549 -4.313 415 HB2 PRO 65 HB2 PRO 65 -14.423 -6.283 -5.645 416 HB3 PRO 65 HB3 PRO 65 -15.378 -7.609 -6.387 417 HG2 PRO 65 HG2 PRO 65 -16.428 -5.009 -5.245 418 HG3 PRO 65 HG3 PRO 65 -16.794 -5.755 -6.830 419 HD2 PRO 65 HD2 PRO 65 -18.469 -6.092 -4.763 420 HD3 PRO 65 HD3 PRO 65 -18.104 -7.458 -5.845 421 H PHE 66 H PHE 66 -13.918 -8.504 -2.648 422 HA PHE 66 HA PHE 66 -14.191 -6.667 -0.480 423 HB2 PHE 66 HB2 PHE 66 -12.046 -8.772 -0.947 424 HB3 PHE 66 HB3 PHE 66 -12.515 -8.071 0.586 425 HD1 PHE 66 HD1 PHE 66 -15.453 -8.244 0.617 426 HD2 PHE 66 HD2 PHE 66 -12.566 -11.030 -0.966 427 HE1 PHE 66 HE1 PHE 66 -17.109 -10.063 0.797 428 HE2 PHE 66 HE2 PHE 66 -14.235 -12.868 -0.752 429 HZ PHE 66 HZ PHE 66 -16.502 -12.383 0.117 430 H MET 67 H MET 67 -11.515 -7.228 -2.754 431 HA MET 67 HA MET 67 -9.717 -5.246 -1.783 432 HB2 MET 67 HB2 MET 67 -10.128 -6.614 -4.441 433 HB3 MET 67 HB3 MET 67 -9.047 -5.231 -4.342 434 HG2 MET 67 HG2 MET 67 -8.799 -7.666 -2.555 435 HG3 MET 67 HG3 MET 67 -7.894 -7.419 -4.052 436 HE1 MET 67 HE1 MET 67 -5.623 -7.849 -2.646 437 HE2 MET 67 HE2 MET 67 -5.244 -6.962 -1.143 438 HE3 MET 67 HE3 MET 67 -6.632 -8.072 -1.206 439 HA PRO 68 HA PRO 68 -12.673 -2.051 -2.424 440 HB2 PRO 68 HB2 PRO 68 -11.228 0.172 -1.599 441 HB3 PRO 68 HB3 PRO 68 -11.947 -1.050 -0.505 442 HG2 PRO 68 HG2 PRO 68 -9.099 -0.892 -1.538 443 HG3 PRO 68 HG3 PRO 68 -9.676 -1.181 0.138 444 HD2 PRO 68 HD2 PRO 68 -8.912 -3.229 -1.468 445 HD3 PRO 68 HD3 PRO 68 -10.302 -3.394 -0.353 446 H THR 69 H THR 69 -13.368 -0.812 -4.030 447 HA THR 69 HA THR 69 -11.716 -0.374 -6.384 448 HB THR 69 HB THR 69 -13.786 0.487 -7.377 449 HG1 THR 69 HG1 THR 69 -14.994 -0.085 -4.872 450 HG21 THR 69 HG21 THR 69 -15.118 -1.496 -7.353 451 HG22 THR 69 HG22 THR 69 -14.447 -2.036 -5.799 452 HG23 THR 69 HG23 THR 69 -13.427 -1.996 -7.251 453 H ALA 70 H ALA 70 -11.803 1.757 -7.492 454 HA ALA 70 HA ALA 70 -10.152 3.456 -6.189 455 HB1 ALA 70 HB1 ALA 70 -10.473 3.416 -8.614 456 HB2 ALA 70 HB2 ALA 70 -12.053 4.202 -8.449 457 HB3 ALA 70 HB3 ALA 70 -10.572 5.079 -8.010 458 H ALA 71 H ALA 71 -13.719 4.035 -6.256 459 HA ALA 71 HA ALA 71 -13.514 6.507 -4.743 460 HB1 ALA 71 HB1 ALA 71 -15.911 4.715 -5.293 461 HB2 ALA 71 HB2 ALA 71 -15.952 6.381 -4.686 462 HB3 ALA 71 HB3 ALA 71 -15.350 6.056 -6.321 463 H GLU 72 H GLU 72 -13.740 3.085 -3.796 464 HA GLU 72 HA GLU 72 -14.435 3.573 -1.028 465 HB2 GLU 72 HB2 GLU 72 -13.137 1.172 -2.348 466 HB3 GLU 72 HB3 GLU 72 -13.742 1.258 -0.698 467 HG2 GLU 72 HG2 GLU 72 -16.026 1.628 -1.541 468 HG3 GLU 72 HG3 GLU 72 -15.439 1.580 -3.206 469 H ARG 73 H ARG 73 -11.418 2.829 -2.893 470 HA ARG 73 HA ARG 73 -9.584 3.168 -0.741 471 HB2 ARG 73 HB2 ARG 73 -9.272 3.671 -3.730 472 HB3 ARG 73 HB3 ARG 73 -7.939 3.813 -2.575 473 HG2 ARG 73 HG2 ARG 73 -8.247 1.455 -1.893 474 HG3 ARG 73 HG3 ARG 73 -9.563 1.282 -3.072 475 HD2 ARG 73 HD2 ARG 73 -8.033 1.737 -4.916 476 HD3 ARG 73 HD3 ARG 73 -6.730 2.109 -3.792 477 HE ARG 73 HE ARG 73 -7.963 -0.611 -4.157 478 HH11 ARG 73 HH11 ARG 73 -5.012 1.255 -3.591 479 HH12 ARG 73 HH12 ARG 73 -4.035 -0.178 -3.496 480 HH21 ARG 73 HH21 ARG 73 -6.649 -2.320 -4.155 481 HH22 ARG 73 HH22 ARG 73 -4.923 -2.150 -3.858 482 H ASP 74 H ASP 74 -10.936 5.662 -2.917 483 HA ASP 74 HA ASP 74 -9.596 7.884 -1.766 484 HB2 ASP 74 HB2 ASP 74 -10.761 8.008 -3.881 485 HB3 ASP 74 HB3 ASP 74 -12.303 7.640 -3.116 486 H GLU 75 H GLU 75 -12.954 6.726 -0.943 487 HA GLU 75 HA GLU 75 -13.255 8.655 1.153 488 HB2 GLU 75 HB2 GLU 75 -15.334 7.662 1.616 489 HB3 GLU 75 HB3 GLU 75 -15.080 7.595 -0.119 490 HG2 GLU 75 HG2 GLU 75 -14.362 5.183 0.194 491 HG3 GLU 75 HG3 GLU 75 -14.882 5.282 1.852 492 H ILE 76 H ILE 76 -11.950 5.396 1.191 493 HA ILE 76 HA ILE 76 -11.832 5.140 4.082 494 HB ILE 76 HB ILE 76 -10.495 3.651 1.803 495 HG12 ILE 76 HG12 ILE 76 -12.626 2.650 3.750 496 HG13 ILE 76 HG13 ILE 76 -13.082 3.533 2.308 497 HG21 ILE 76 HG21 ILE 76 -9.884 1.947 3.553 498 HG22 ILE 76 HG22 ILE 76 -9.013 3.477 3.706 499 HG23 ILE 76 HG23 ILE 76 -10.368 3.121 4.797 500 HD11 ILE 76 HD11 ILE 76 -13.278 1.275 1.743 501 HD12 ILE 76 HD12 ILE 76 -11.841 1.829 0.902 502 HD13 ILE 76 HD13 ILE 76 -11.673 0.863 2.390 503 H LEU 77 H LEU 77 -9.374 6.092 1.570 504 HA LEU 77 HA LEU 77 -7.296 6.755 3.433 505 HB2 LEU 77 HB2 LEU 77 -8.078 7.763 0.692 506 HB3 LEU 77 HB3 LEU 77 -6.725 8.460 1.568 507 HG LEU 77 HG LEU 77 -6.932 5.481 0.919 508 HD11 LEU 77 HD11 LEU 77 -6.893 6.874 -1.104 509 HD12 LEU 77 HD12 LEU 77 -5.365 5.994 -0.913 510 HD13 LEU 77 HD13 LEU 77 -5.457 7.731 -0.504 511 HD21 LEU 77 HD21 LEU 77 -4.471 5.525 1.309 512 HD22 LEU 77 HD22 LEU 77 -5.392 5.923 2.769 513 HD23 LEU 77 HD23 LEU 77 -4.607 7.220 1.846 514 H ARG 78 H ARG 78 -10.123 8.585 2.332 515 HA ARG 78 HA ARG 78 -9.522 11.010 3.783 516 HB2 ARG 78 HB2 ARG 78 -12.121 9.884 2.702 517 HB3 ARG 78 HB3 ARG 78 -12.080 11.378 3.634 518 HG2 ARG 78 HG2 ARG 78 -10.571 12.428 2.048 519 HG3 ARG 78 HG3 ARG 78 -10.367 10.903 1.195 520 HD2 ARG 78 HD2 ARG 78 -12.899 10.991 0.723 521 HD3 ARG 78 HD3 ARG 78 -12.819 12.685 1.212 522 HE ARG 78 HE ARG 78 -11.758 11.436 -1.228 523 HH11 ARG 78 HH11 ARG 78 -11.425 14.396 0.700 524 HH12 ARG 78 HH12 ARG 78 -10.517 15.164 -0.578 525 HH21 ARG 78 HH21 ARG 78 -10.546 12.411 -2.641 526 HH22 ARG 78 HH22 ARG 78 -9.877 14.016 -2.341 527 H ALA 79 H ALA 79 -11.286 8.082 4.713 528 HA ALA 79 HA ALA 79 -11.927 9.021 7.380 529 HB1 ALA 79 HB1 ALA 79 -13.315 7.418 6.126 530 HB2 ALA 79 HB2 ALA 79 -11.994 6.227 6.174 531 HB3 ALA 79 HB3 ALA 79 -12.786 6.741 7.677 532 H VAL 80 H VAL 80 -9.049 7.403 6.121 533 HA VAL 80 HA VAL 80 -7.899 6.938 8.799 534 HB VAL 80 HB VAL 80 -6.609 7.108 6.043 535 HG11 VAL 80 HG11 VAL 80 -4.684 5.960 7.106 536 HG12 VAL 80 HG12 VAL 80 -4.931 7.563 7.787 537 HG13 VAL 80 HG13 VAL 80 -5.466 6.133 8.696 538 HG21 VAL 80 HG21 VAL 80 -8.143 5.161 6.313 539 HG22 VAL 80 HG22 VAL 80 -6.451 4.681 6.178 540 HG23 VAL 80 HG23 VAL 80 -7.257 4.678 7.768 541 H GLY 81 H GLY 81 -7.734 9.438 6.259 542 HA2 GLY 81 HA2 GLY 81 -7.372 11.724 6.438 543 HA3 GLY 81 HA3 GLY 81 -7.239 11.562 8.193 544 H ASN 82 H ASN 82 -5.266 9.408 6.492 545 HA ASN 82 HA ASN 82 -2.948 11.042 6.065 546 HB2 ASN 82 HB2 ASN 82 -2.941 10.702 8.594 547 HB3 ASN 82 HB3 ASN 82 -2.869 8.963 8.313 548 HD21 ASN 82 HD21 ASN 82 -0.853 8.890 9.482 549 HD22 ASN 82 HD22 ASN 82 0.629 9.404 8.656 550 H MET 83 H MET 83 -1.036 9.452 5.502 551 HA MET 83 HA MET 83 -1.911 7.506 3.547 552 HB2 MET 83 HB2 MET 83 0.155 9.151 3.549 553 HB3 MET 83 HB3 MET 83 0.908 7.942 4.570 554 HG2 MET 83 HG2 MET 83 1.679 7.324 2.535 555 HG3 MET 83 HG3 MET 83 0.255 6.294 2.599 556 HE1 MET 83 HE1 MET 83 -1.935 7.562 -0.273 557 HE2 MET 83 HE2 MET 83 -1.510 6.247 0.841 558 HE3 MET 83 HE3 MET 83 -2.263 7.742 1.461 559 HA PRO 84 HA PRO 84 -1.534 4.190 6.639 560 HB2 PRO 84 HB2 PRO 84 -2.241 2.038 5.116 561 HB3 PRO 84 HB3 PRO 84 -3.415 3.243 5.721 562 HG2 PRO 84 HG2 PRO 84 -2.287 2.940 2.945 563 HG3 PRO 84 HG3 PRO 84 -3.916 3.454 3.457 564 HD2 PRO 84 HD2 PRO 84 -1.853 5.225 2.739 565 HD3 PRO 84 HD3 PRO 84 -3.282 5.674 3.714 566 H TYR 85 H TYR 85 0.482 4.859 4.115 567 HA TYR 85 HA TYR 85 2.159 2.483 4.030 568 HB2 TYR 85 HB2 TYR 85 2.736 5.265 2.994 569 HB3 TYR 85 HB3 TYR 85 3.464 3.765 2.465 570 HD1 TYR 85 HD2 TYR 85 0.078 2.861 2.453 571 HD2 TYR 85 HD1 TYR 85 2.886 5.441 0.444 572 HE1 TYR 85 HE2 TYR 85 -1.445 3.000 0.509 573 HE2 TYR 85 HE1 TYR 85 1.380 5.502 -1.548 574 HH TYR 85 HH TYR 85 -1.639 3.622 -1.684 Start of MODEL 2 1 H ASN 14 H1 ASN 14 -5.258 -3.661 -2.853 2 HA ASN 14 HA ASN 14 -3.717 -3.661 -4.679 3 HB2 ASN 14 HB2 ASN 14 -5.398 -1.820 -4.353 4 HB3 ASN 14 HB3 ASN 14 -4.170 -0.881 -3.501 5 HD21 ASN 14 HD21 ASN 14 -5.310 -2.057 -6.680 6 HD22 ASN 14 HD22 ASN 14 -4.272 -0.950 -7.562 7 HA PRO 15 HA PRO 15 0.502 -3.162 -3.352 8 HB2 PRO 15 HB2 PRO 15 1.850 -3.475 -5.669 9 HB3 PRO 15 HB3 PRO 15 0.845 -4.793 -4.989 10 HG2 PRO 15 HG2 PRO 15 0.078 -2.787 -7.139 11 HG3 PRO 15 HG3 PRO 15 -0.091 -4.571 -7.185 12 HD2 PRO 15 HD2 PRO 15 -2.119 -2.867 -6.467 13 HD3 PRO 15 HD3 PRO 15 -1.964 -4.508 -5.793 14 H CYS 16 H CYS 16 2.370 -1.716 -3.445 15 HA CYS 16 HA CYS 16 1.634 1.023 -4.344 16 HB2 CYS 16 2HB CYS 16 3.435 -0.084 -2.202 17 HB3 CYS 16 3HB CYS 16 3.579 1.582 -2.771 18 H LEU 17 H LEU 17 2.025 0.285 -6.598 19 HA LEU 17 HA LEU 17 4.716 -0.398 -7.409 20 HB2 LEU 17 HB2 LEU 17 2.056 -0.214 -8.656 21 HB3 LEU 17 HB3 LEU 17 3.283 0.465 -9.696 22 HG LEU 17 HG LEU 17 2.880 -1.876 -10.198 23 HD11 LEU 17 HD11 LEU 17 5.140 -0.947 -10.588 24 HD12 LEU 17 HD12 LEU 17 5.165 -2.684 -10.253 25 HD13 LEU 17 HD13 LEU 17 5.663 -1.537 -8.999 26 HD21 LEU 17 HD21 LEU 17 2.260 -2.634 -7.937 27 HD22 LEU 17 HD22 LEU 17 3.962 -2.524 -7.428 28 HD23 LEU 17 HD23 LEU 17 3.479 -3.677 -8.687 29 H SER 18 H SER 18 2.966 2.681 -7.324 30 HA SER 18 HA SER 18 4.972 4.222 -8.760 31 HB2 SER 18 HB2 SER 18 3.014 4.983 -6.612 32 HB3 SER 18 HB3 SER 18 3.890 6.151 -7.631 33 HG SER 18 HG SER 18 2.848 5.429 -9.431 34 H GLU 19 H GLU 19 4.467 3.497 -5.277 35 HA GLU 19 HA GLU 19 6.811 4.860 -4.296 36 HB2 GLU 19 HB2 GLU 19 4.660 3.781 -3.088 37 HB3 GLU 19 HB3 GLU 19 5.685 2.360 -3.026 38 HG2 GLU 19 HG2 GLU 19 5.931 3.473 -0.959 39 HG3 GLU 19 HG3 GLU 19 7.422 3.781 -1.843 40 H SER 20 H SER 20 6.214 1.680 -5.683 41 HA SER 20 HA SER 20 8.858 0.579 -5.126 42 HB2 SER 20 HB2 SER 20 6.803 -0.768 -5.625 43 HB3 SER 20 HB3 SER 20 6.963 -0.291 -7.326 44 HG SER 20 HG SER 20 8.145 -2.293 -6.074 45 H ASP 21 H ASP 21 7.544 2.414 -7.922 46 HA ASP 21 HA ASP 21 10.066 2.506 -9.344 47 HB2 ASP 21 HB2 ASP 21 8.107 2.992 -10.567 48 HB3 ASP 21 HB3 ASP 21 7.601 4.252 -9.440 49 H ALA 22 H ALA 22 8.696 4.604 -6.711 50 HA ALA 22 HA ALA 22 10.844 6.502 -6.801 51 HB1 ALA 22 HB1 ALA 22 10.038 7.192 -4.615 52 HB2 ALA 22 HB2 ALA 22 8.657 6.873 -5.679 53 HB3 ALA 22 HB3 ALA 22 9.109 5.691 -4.431 54 H SER 23 H SER 23 10.483 3.408 -5.032 55 HA SER 23 HA SER 23 13.072 3.358 -3.805 56 HB2 SER 23 HB2 SER 23 11.122 1.756 -3.429 57 HB3 SER 23 HB3 SER 23 11.608 0.937 -4.918 58 HG SER 23 HG SER 23 12.636 0.023 -3.081 59 H THR 24 H THR 24 11.986 2.238 -7.052 60 HA THR 24 HA THR 24 14.519 1.269 -7.948 61 HB THR 24 HB THR 24 12.363 2.512 -9.694 62 HG1 THR 24 HG1 THR 24 11.552 0.825 -8.319 63 HG21 THR 24 HG21 THR 24 14.475 2.020 -10.896 64 HG22 THR 24 HG22 THR 24 13.196 0.892 -11.363 65 HG23 THR 24 HG23 THR 24 14.465 0.370 -10.239 66 H ARG 25 H ARG 25 13.135 4.567 -8.110 67 HA ARG 25 HA ARG 25 15.415 5.836 -9.350 68 HB2 ARG 25 HB2 ARG 25 12.980 6.727 -7.828 69 HB3 ARG 25 HB3 ARG 25 14.327 7.842 -7.906 70 HG2 ARG 25 HG2 ARG 25 12.648 8.278 -9.609 71 HG3 ARG 25 HG3 ARG 25 14.240 8.001 -10.287 72 HD2 ARG 25 HD2 ARG 25 12.264 5.713 -10.185 73 HD3 ARG 25 HD3 ARG 25 12.043 6.991 -11.373 74 HE ARG 25 HE ARG 25 14.634 6.400 -11.817 75 HH11 ARG 25 HH11 ARG 25 11.784 4.260 -11.824 76 HH12 ARG 25 HH12 ARG 25 12.637 3.150 -12.879 77 HH21 ARG 25 HH21 ARG 25 15.450 4.998 -13.235 78 HH22 ARG 25 HH22 ARG 25 14.638 3.489 -13.574 79 H CYS 26 H CYS 26 14.685 5.265 -5.850 80 HA CYS 26 HA CYS 26 17.097 6.463 -4.865 81 HB2 CYS 26 2HB CYS 26 15.374 5.841 -3.290 82 HB3 CYS 26 3HB CYS 26 15.460 4.143 -3.772 83 H LEU 27 H LEU 27 16.483 3.103 -5.912 84 HA LEU 27 HA LEU 27 19.110 2.099 -5.376 85 HB2 LEU 27 HB2 LEU 27 16.651 1.277 -6.917 86 HB3 LEU 27 HB3 LEU 27 18.143 0.412 -7.240 87 HG LEU 27 HG LEU 27 18.397 -0.310 -5.082 88 HD11 LEU 27 HD11 LEU 27 16.982 0.125 -3.128 89 HD12 LEU 27 HD12 LEU 27 16.099 1.357 -4.026 90 HD13 LEU 27 HD13 LEU 27 17.823 1.573 -3.642 91 HD21 LEU 27 HD21 LEU 27 16.605 -1.430 -6.451 92 HD22 LEU 27 HD22 LEU 27 15.401 -0.466 -5.579 93 HD23 LEU 27 HD23 LEU 27 16.387 -1.659 -4.702 94 H ASP 28 H ASP 28 17.731 3.388 -8.319 95 HA ASP 28 HA ASP 28 20.138 3.394 -9.909 96 HB2 ASP 28 HB2 ASP 28 17.890 3.567 -10.862 97 HB3 ASP 28 HB3 ASP 28 17.630 5.103 -10.047 98 H GLU 29 H GLU 29 18.977 5.811 -7.489 99 HA GLU 29 HA GLU 29 21.058 7.715 -7.941 100 HB2 GLU 29 HB2 GLU 29 18.966 7.150 -5.929 101 HB3 GLU 29 HB3 GLU 29 20.455 7.686 -5.181 102 HG2 GLU 29 HG2 GLU 29 20.382 9.580 -6.942 103 HG3 GLU 29 HG3 GLU 29 18.722 9.079 -7.260 104 H ASN 30 H ASN 30 20.921 4.948 -5.626 105 HA ASN 30 HA ASN 30 23.858 5.253 -5.162 106 HB2 ASN 30 HB2 ASN 30 23.215 4.456 -2.826 107 HB3 ASN 30 HB3 ASN 30 22.841 6.116 -3.272 108 HD21 ASN 30 HD21 ASN 30 21.258 2.932 -3.493 109 HD22 ASN 30 HD22 ASN 30 19.640 3.569 -3.158 110 H ASN 31 H ASN 31 24.218 3.744 -6.865 111 HA ASN 31 HA ASN 31 24.516 1.654 -7.784 112 HB2 ASN 31 HB2 ASN 31 26.444 2.585 -6.393 113 HB3 ASN 31 HB3 ASN 31 26.028 1.392 -5.170 114 HD21 ASN 31 HD21 ASN 31 28.315 0.681 -5.606 115 HD22 ASN 31 HD22 ASN 31 28.667 -0.200 -7.096 116 H TYR 32 H TYR 32 22.013 1.212 -7.065 117 HA TYR 32 HA TYR 32 20.472 -0.266 -6.554 118 HB2 TYR 32 HB2 TYR 32 21.760 -1.471 -8.281 119 HB3 TYR 32 HB3 TYR 32 22.639 -2.313 -7.012 120 HD1 TYR 32 HD2 TYR 32 19.074 -1.884 -6.303 121 HD2 TYR 32 HD1 TYR 32 21.991 -4.351 -8.290 122 HE1 TYR 32 HE2 TYR 32 17.431 -3.661 -6.397 123 HE2 TYR 32 HE1 TYR 32 20.319 -6.203 -8.392 124 HH TYR 32 HH TYR 32 16.970 -5.858 -7.197 125 H ASP 33 H ASP 33 21.596 0.836 -4.219 126 HA ASP 33 HA ASP 33 21.990 -1.226 -2.298 127 HB2 ASP 33 HB2 ASP 33 23.016 1.086 -2.307 128 HB3 ASP 33 HB3 ASP 33 21.527 1.642 -1.535 129 H ARG 34 H ARG 34 19.983 -2.174 -3.079 130 HA ARG 34 HA ARG 34 17.371 -1.681 -2.129 131 HB2 ARG 34 HB2 ARG 34 16.909 -3.911 -2.742 132 HB3 ARG 34 HB3 ARG 34 18.195 -3.392 -3.809 133 HG2 ARG 34 HG2 ARG 34 19.841 -4.509 -2.183 134 HG3 ARG 34 HG3 ARG 34 18.449 -5.236 -1.389 135 HD2 ARG 34 HD2 ARG 34 19.157 -5.557 -4.337 136 HD3 ARG 34 HD3 ARG 34 19.591 -6.706 -3.060 137 HE ARG 34 HE ARG 34 16.775 -6.358 -2.961 138 HH11 ARG 34 HH11 ARG 34 19.119 -7.830 -5.126 139 HH12 ARG 34 HH12 ARG 34 17.961 -9.018 -5.677 140 HH21 ARG 34 HH21 ARG 34 15.383 -7.747 -3.782 141 HH22 ARG 34 HH22 ARG 34 15.824 -8.797 -5.125 142 H GLU 35 H GLU 35 20.060 -2.509 -0.167 143 HA GLU 35 HA GLU 35 18.362 -3.278 2.134 144 HB2 GLU 35 HB2 GLU 35 21.360 -3.055 1.928 145 HB3 GLU 35 HB3 GLU 35 20.449 -3.471 3.387 146 HG2 GLU 35 HG2 GLU 35 19.364 -5.366 2.087 147 HG3 GLU 35 HG3 GLU 35 20.501 -5.049 0.776 148 H ARG 36 H ARG 36 20.533 -0.442 1.340 149 HA ARG 36 HA ARG 36 19.682 1.079 3.664 150 HB2 ARG 36 HB2 ARG 36 21.080 1.696 1.082 151 HB3 ARG 36 HB3 ARG 36 20.255 3.022 1.843 152 HG2 ARG 36 HG2 ARG 36 22.555 3.017 2.519 153 HG3 ARG 36 HG3 ARG 36 21.511 2.766 3.912 154 HD2 ARG 36 HD2 ARG 36 22.075 0.414 4.008 155 HD3 ARG 36 HD3 ARG 36 22.915 0.491 2.465 156 HE ARG 36 HE ARG 36 23.937 1.347 5.084 157 HH11 ARG 36 HH11 ARG 36 24.464 1.580 1.593 158 HH12 ARG 36 HH12 ARG 36 26.013 2.386 1.859 159 HH21 ARG 36 HH21 ARG 36 26.096 2.152 5.194 160 HH22 ARG 36 HH22 ARG 36 26.844 2.655 3.685 161 H CYS 37 H CYS 37 18.285 0.854 0.406 162 HA CYS 37 HA CYS 37 15.970 2.480 1.328 163 HB2 CYS 37 2HB CYS 37 17.184 1.940 -1.305 164 HB3 CYS 37 3HB CYS 37 15.421 2.048 -1.288 165 H SER 38 H SER 38 16.460 -0.359 2.287 166 HA SER 38 HA SER 38 14.199 -1.928 1.425 167 HB2 SER 38 HB2 SER 38 15.712 -1.794 4.048 168 HB3 SER 38 HB3 SER 38 14.344 -2.884 3.765 169 HG SER 38 HG SER 38 16.284 -2.874 1.783 170 H THR 39 H THR 39 14.313 1.017 3.297 171 HA THR 39 HA THR 39 11.966 0.939 4.831 172 HB THR 39 HB THR 39 11.921 3.389 4.525 173 HG1 THR 39 HG1 THR 39 13.238 4.362 3.123 174 HG21 THR 39 HG21 THR 39 14.820 2.450 4.672 175 HG22 THR 39 HG22 THR 39 13.672 2.300 6.023 176 HG23 THR 39 HG23 THR 39 14.107 3.904 5.401 177 H TYR 40 H TYR 40 12.299 1.639 1.370 178 HA TYR 40 HA TYR 40 9.527 2.227 0.864 179 HB2 TYR 40 HB2 TYR 40 11.713 1.184 -0.976 180 HB3 TYR 40 HB3 TYR 40 10.123 1.717 -1.503 181 HD1 TYR 40 HD1 TYR 40 13.160 2.972 0.347 182 HD2 TYR 40 HD2 TYR 40 9.809 3.933 -2.190 183 HE1 TYR 40 HE1 TYR 40 13.975 5.312 0.154 184 HE2 TYR 40 HE2 TYR 40 10.681 6.240 -2.466 185 HH TYR 40 HH TYR 40 13.687 7.346 -0.803 186 H PHE 41 H PHE 41 11.367 -0.844 0.605 187 HA PHE 41 HA PHE 41 9.084 -2.334 -0.411 188 HB2 PHE 41 HB2 PHE 41 11.713 -3.318 0.735 189 HB3 PHE 41 HB3 PHE 41 10.548 -4.285 -0.163 190 HD1 PHE 41 HD2 PHE 41 9.819 -3.116 -2.543 191 HD2 PHE 41 HD1 PHE 41 13.571 -2.564 -0.506 192 HE1 PHE 41 HE2 PHE 41 10.882 -2.461 -4.685 193 HE2 PHE 41 HE1 PHE 41 14.635 -1.888 -2.643 194 HZ PHE 41 HZ PHE 41 13.294 -1.847 -4.745 195 H LEU 42 H LEU 42 10.430 -1.795 2.819 196 HA LEU 42 HA LEU 42 8.506 -3.368 4.261 197 HB2 LEU 42 HB2 LEU 42 10.447 -2.634 5.435 198 HB3 LEU 42 HB3 LEU 42 10.277 -0.981 4.861 199 HG LEU 42 HG LEU 42 8.361 -0.588 6.339 200 HD11 LEU 42 HD11 LEU 42 7.801 -2.179 8.121 201 HD12 LEU 42 HD12 LEU 42 8.896 -3.389 7.412 202 HD13 LEU 42 HD13 LEU 42 7.430 -2.870 6.546 203 HD21 LEU 42 HD21 LEU 42 9.604 -0.591 8.442 204 HD22 LEU 42 HD22 LEU 42 10.653 -0.108 7.103 205 HD23 LEU 42 HD23 LEU 42 10.772 -1.753 7.781 206 H ARG 43 H ARG 43 8.392 0.128 3.317 207 HA ARG 43 HA ARG 43 5.689 0.468 4.225 208 HB2 ARG 43 HB2 ARG 43 7.323 1.897 2.114 209 HB3 ARG 43 HB3 ARG 43 5.666 2.360 2.570 210 HG2 ARG 43 HG2 ARG 43 6.305 2.707 4.860 211 HG3 ARG 43 HG3 ARG 43 7.927 2.096 4.551 212 HD2 ARG 43 HD2 ARG 43 7.912 4.566 4.696 213 HD3 ARG 43 HD3 ARG 43 8.423 4.004 3.106 214 HE ARG 43 HE ARG 43 5.636 5.013 3.721 215 HH11 ARG 43 HH11 ARG 43 8.344 5.049 1.446 216 HH12 ARG 43 HH12 ARG 43 7.363 5.849 0.238 217 HH21 ARG 43 HH21 ARG 43 4.540 5.913 2.223 218 HH22 ARG 43 HH22 ARG 43 5.178 6.167 0.587 219 H TYR 44 H TYR 44 6.891 -1.025 1.336 220 HA TYR 44 HA TYR 44 4.256 -1.224 0.066 221 HB2 TYR 44 HB2 TYR 44 6.226 -1.269 -1.287 222 HB3 TYR 44 HB3 TYR 44 6.837 -2.703 -0.472 223 HD1 TYR 44 HD1 TYR 44 5.316 -4.836 -0.587 224 HD2 TYR 44 HD2 TYR 44 5.164 -1.540 -3.349 225 HE1 TYR 44 HE1 TYR 44 4.336 -6.334 -2.297 226 HE2 TYR 44 HE2 TYR 44 4.189 -3.055 -5.088 227 HH TYR 44 HH TYR 44 3.528 -6.523 -4.362 228 H LYS 45 H LYS 45 6.142 -3.497 2.181 229 HA LYS 45 HA LYS 45 4.061 -5.480 2.446 230 HB2 LYS 45 HB2 LYS 45 6.316 -5.844 3.343 231 HB3 LYS 45 HB3 LYS 45 6.119 -4.513 4.479 232 HG2 LYS 45 HG2 LYS 45 4.222 -5.751 5.570 233 HG3 LYS 45 HG3 LYS 45 4.553 -7.121 4.497 234 HD2 LYS 45 HD2 LYS 45 6.827 -7.321 5.479 235 HD3 LYS 45 HD3 LYS 45 6.526 -5.875 6.470 236 HE2 LYS 45 HE2 LYS 45 4.585 -7.049 7.534 237 HE3 LYS 45 HE3 LYS 45 4.985 -8.505 6.621 238 HZ1 LYS 45 HZ1 LYS 45 5.910 -8.522 8.896 239 HZ2 LYS 45 HZ2 LYS 45 6.811 -7.195 8.572 240 HZ3 LYS 45 HZ3 LYS 45 7.090 -8.620 7.778 241 H ASN 46 H ASN 46 4.523 -2.366 4.150 242 HA ASN 46 HA ASN 46 2.215 -2.636 5.809 243 HB2 ASN 46 HB2 ASN 46 3.484 -0.044 4.847 244 HB3 ASN 46 HB3 ASN 46 2.451 -0.262 6.242 245 HD21 ASN 46 HD21 ASN 46 4.993 0.947 6.448 246 HD22 ASN 46 HD22 ASN 46 6.077 -0.146 7.254 247 H CYS 47 H CYS 47 2.504 -1.210 2.492 248 HA CYS 47 HA CYS 47 -0.182 -0.355 2.186 249 HB2 CYS 47 2HB CYS 47 1.622 -1.679 0.104 250 HB3 CYS 47 3HB CYS 47 0.154 -0.772 -0.217 251 H ARG 48 H ARG 48 1.299 -3.533 1.500 252 HA ARG 48 HA ARG 48 -1.085 -4.867 0.621 253 HB2 ARG 48 HB2 ARG 48 1.530 -5.876 1.850 254 HB3 ARG 48 HB3 ARG 48 0.298 -6.956 1.221 255 HG2 ARG 48 HG2 ARG 48 1.456 -4.734 -0.517 256 HG3 ARG 48 HG3 ARG 48 2.327 -6.246 -0.298 257 HD2 ARG 48 HD2 ARG 48 -0.560 -6.129 -1.282 258 HD3 ARG 48 HD3 ARG 48 0.857 -6.151 -2.348 259 HE ARG 48 HE ARG 48 0.936 -8.321 -0.417 260 HH11 ARG 48 HH11 ARG 48 -0.831 -7.637 -3.381 261 HH12 ARG 48 HH12 ARG 48 -0.557 -9.269 -3.940 262 HH21 ARG 48 HH21 ARG 48 0.975 -10.355 -1.173 263 HH22 ARG 48 HH22 ARG 48 0.301 -10.706 -2.776 264 H ARG 49 H ARG 49 0.461 -4.932 3.849 265 HA ARG 49 HA ARG 49 -1.522 -6.464 5.201 266 HB2 ARG 49 HB2 ARG 49 0.742 -5.857 6.093 267 HB3 ARG 49 HB3 ARG 49 0.264 -4.162 6.153 268 HG2 ARG 49 HG2 ARG 49 -1.567 -4.890 7.854 269 HG3 ARG 49 HG3 ARG 49 -0.750 -6.455 7.871 270 HD2 ARG 49 HD2 ARG 49 0.089 -5.154 9.722 271 HD3 ARG 49 HD3 ARG 49 1.374 -5.232 8.505 272 HE ARG 49 HE ARG 49 -0.474 -2.892 8.472 273 HH11 ARG 49 HH11 ARG 49 2.770 -3.932 9.470 274 HH12 ARG 49 HH12 ARG 49 3.302 -2.254 9.520 275 HH21 ARG 49 HH21 ARG 49 0.396 -0.874 8.476 276 HH22 ARG 49 HH22 ARG 49 2.062 -0.658 8.980 277 H PHE 50 H PHE 50 -1.398 -2.865 4.795 278 HA PHE 50 HA PHE 50 -3.729 -2.310 6.305 279 HB2 PHE 50 HB2 PHE 50 -2.171 -0.586 5.482 280 HB3 PHE 50 HB3 PHE 50 -2.645 -0.883 3.836 281 HD1 PHE 50 HD2 PHE 50 -4.080 0.157 7.162 282 HD2 PHE 50 HD1 PHE 50 -4.514 0.219 2.876 283 HE1 PHE 50 HE2 PHE 50 -6.048 1.663 7.376 284 HE2 PHE 50 HE1 PHE 50 -6.477 1.717 3.089 285 HZ PHE 50 HZ PHE 50 -7.246 2.441 5.345 286 H TRP 51 H TRP 51 -3.477 -2.596 2.750 287 HA TRP 51 HA TRP 51 -6.327 -2.492 2.424 288 HB2 TRP 51 HB2 TRP 51 -4.110 -3.269 0.519 289 HB3 TRP 51 HB3 TRP 51 -5.804 -3.176 0.066 290 HD1 TRP 51 HD1 TRP 51 -2.808 -0.960 0.345 291 HE1 TRP 51 HE1 TRP 51 -3.445 1.410 -0.290 292 HE3 TRP 51 HE3 TRP 51 -7.909 -1.315 0.832 293 HZ2 TRP 51 HZ2 TRP 51 -5.791 3.073 -0.199 294 HZ3 TRP 51 HZ3 TRP 51 -9.306 0.740 0.656 295 HH2 TRP 51 HH2 TRP 51 -8.258 2.934 0.142 296 H ASN 52 H ASN 52 -4.184 -5.362 2.705 297 HA ASN 52 HA ASN 52 -6.220 -7.338 2.365 298 HB2 ASN 52 HB2 ASN 52 -3.566 -7.154 3.848 299 HB3 ASN 52 HB3 ASN 52 -4.523 -8.562 3.971 300 HD21 ASN 52 HD21 ASN 52 -2.306 -9.279 3.016 301 HD22 ASN 52 HD22 ASN 52 -2.321 -9.461 1.263 302 H SER 53 H SER 53 -5.331 -5.341 5.232 303 HA SER 53 HA SER 53 -7.200 -6.709 6.965 304 HB2 SER 53 HB2 SER 53 -5.924 -3.980 7.325 305 HB3 SER 53 HB3 SER 53 -6.756 -4.945 8.561 306 HG SER 53 HG SER 53 -4.332 -5.463 7.200 307 H ILE 54 H ILE 54 -7.493 -3.805 4.861 308 HA ILE 54 HA ILE 54 -10.193 -3.140 5.638 309 HB ILE 54 HB ILE 54 -8.668 -2.792 3.028 310 HG12 ILE 54 HG12 ILE 54 -7.683 -1.528 4.881 311 HG13 ILE 54 HG13 ILE 54 -8.372 -0.487 3.671 312 HG21 ILE 54 HG21 ILE 54 -10.369 -1.080 2.438 313 HG22 ILE 54 HG22 ILE 54 -10.993 -2.729 2.422 314 HG23 ILE 54 HG23 ILE 54 -11.380 -1.658 3.784 315 HD11 ILE 54 HD11 ILE 54 -9.625 -1.155 6.374 316 HD12 ILE 54 HD12 ILE 54 -8.825 0.356 5.929 317 HD13 ILE 54 HD13 ILE 54 -10.354 -0.083 5.152 318 H VAL 55 H VAL 55 -8.892 -5.396 3.179 319 HA VAL 55 HA VAL 55 -11.378 -6.462 2.294 320 HB VAL 55 HB VAL 55 -8.574 -7.587 2.432 321 HG11 VAL 55 HG11 VAL 55 -9.953 -9.572 2.598 322 HG12 VAL 55 HG12 VAL 55 -10.985 -9.005 1.260 323 HG13 VAL 55 HG13 VAL 55 -9.283 -9.428 0.966 324 HG21 VAL 55 HG21 VAL 55 -8.662 -7.295 0.036 325 HG22 VAL 55 HG22 VAL 55 -10.363 -6.792 0.123 326 HG23 VAL 55 HG23 VAL 55 -9.091 -5.773 0.825 327 H MET 56 H MET 56 -9.338 -7.631 5.078 328 HA MET 56 HA MET 56 -11.209 -9.601 5.950 329 HB2 MET 56 HB2 MET 56 -9.272 -7.901 7.585 330 HB3 MET 56 HB3 MET 56 -10.197 -9.252 8.228 331 HG2 MET 56 HG2 MET 56 -8.093 -9.406 6.067 332 HG3 MET 56 HG3 MET 56 -7.954 -9.924 7.746 333 HE1 MET 56 HE1 MET 56 -7.208 -11.654 5.126 334 HE2 MET 56 HE2 MET 56 -6.952 -12.219 6.793 335 HE3 MET 56 HE3 MET 56 -7.798 -13.256 5.625 336 H GLN 57 H GLN 57 -11.146 -6.106 6.677 337 HA GLN 57 HA GLN 57 -13.293 -6.262 8.626 338 HB2 GLN 57 HB2 GLN 57 -11.947 -3.971 7.159 339 HB3 GLN 57 HB3 GLN 57 -13.259 -3.717 8.305 340 HG2 GLN 57 HG2 GLN 57 -10.688 -5.200 9.028 341 HG3 GLN 57 HG3 GLN 57 -10.915 -3.476 9.249 342 HE21 GLN 57 HE21 GLN 57 -11.095 -6.406 10.881 343 HE22 GLN 57 HE22 GLN 57 -12.155 -5.848 12.177 344 H ARG 58 H ARG 58 -13.280 -5.738 5.110 345 HA ARG 58 HA ARG 58 -16.218 -5.286 5.100 346 HB2 ARG 58 HB2 ARG 58 -14.181 -5.437 2.832 347 HB3 ARG 58 HB3 ARG 58 -15.895 -5.013 2.648 348 HG2 ARG 58 HG2 ARG 58 -15.595 -3.069 4.153 349 HG3 ARG 58 HG3 ARG 58 -13.909 -3.479 4.387 350 HD2 ARG 58 HD2 ARG 58 -13.657 -1.845 2.846 351 HD3 ARG 58 HD3 ARG 58 -13.682 -3.259 1.796 352 HE ARG 58 HE ARG 58 -15.610 -2.445 0.809 353 HH11 ARG 58 HH11 ARG 58 -15.285 -0.700 3.896 354 HH12 ARG 58 HH12 ARG 58 -16.514 0.453 3.418 355 HH21 ARG 58 HH21 ARG 58 -17.146 -0.885 0.342 356 HH22 ARG 58 HH22 ARG 58 -17.707 0.170 1.615 357 H ARG 59 H ARG 59 -14.091 -7.964 4.739 358 HA ARG 59 HA ARG 59 -16.031 -9.782 3.573 359 HB2 ARG 59 HB2 ARG 59 -13.641 -10.100 3.324 360 HB3 ARG 59 HB3 ARG 59 -13.427 -10.292 5.071 361 HG2 ARG 59 HG2 ARG 59 -14.514 -12.414 5.074 362 HG3 ARG 59 HG3 ARG 59 -15.209 -12.158 3.464 363 HD2 ARG 59 HD2 ARG 59 -13.002 -12.242 2.441 364 HD3 ARG 59 HD3 ARG 59 -12.227 -12.440 4.032 365 HE ARG 59 HE ARG 59 -13.971 -14.531 4.015 366 HH11 ARG 59 HH11 ARG 59 -11.536 -13.682 1.607 367 HH12 ARG 59 HH12 ARG 59 -11.516 -15.315 0.989 368 HH21 ARG 59 HH21 ARG 59 -14.009 -16.385 3.129 369 HH22 ARG 59 HH22 ARG 59 -13.131 -16.750 1.654 370 H LYS 60 H LYS 60 -15.726 -8.616 6.813 371 HA LYS 60 HA LYS 60 -16.908 -10.700 8.282 372 HB2 LYS 60 HB2 LYS 60 -17.508 -9.104 9.918 373 HB3 LYS 60 HB3 LYS 60 -15.982 -8.575 9.203 374 HG2 LYS 60 HG2 LYS 60 -17.364 -7.015 7.729 375 HG3 LYS 60 HG3 LYS 60 -18.773 -7.455 8.703 376 HD2 LYS 60 HD2 LYS 60 -17.748 -6.581 10.724 377 HD3 LYS 60 HD3 LYS 60 -16.226 -6.261 9.863 378 HE2 LYS 60 HE2 LYS 60 -17.394 -4.677 8.358 379 HE3 LYS 60 HE3 LYS 60 -18.919 -4.982 9.204 380 HZ1 LYS 60 HZ1 LYS 60 -17.902 -2.980 10.068 381 HZ2 LYS 60 HZ2 LYS 60 -16.488 -3.731 10.373 382 HZ3 LYS 60 HZ3 LYS 60 -17.831 -4.119 11.242 383 H ASN 61 H ASN 61 -18.605 -8.526 6.017 384 HA ASN 61 HA ASN 61 -21.154 -9.934 6.685 385 HB2 ASN 61 HB2 ASN 61 -20.507 -7.387 5.187 386 HB3 ASN 61 HB3 ASN 61 -22.062 -8.180 5.022 387 HD21 ASN 61 HD21 ASN 61 -20.176 -6.169 7.061 388 HD22 ASN 61 HD22 ASN 61 -21.459 -5.934 8.253 389 H GLY 62 H GLY 62 -18.666 -10.441 4.439 390 HA2 GLY 62 HA2 GLY 62 -18.452 -12.152 2.949 391 HA3 GLY 62 HA3 GLY 62 -20.012 -12.721 3.501 392 H VAL 63 H VAL 63 -20.381 -9.696 2.107 393 HA VAL 63 HA VAL 63 -22.142 -11.111 0.211 394 HB VAL 63 HB VAL 63 -23.113 -10.010 2.080 395 HG11 VAL 63 HG11 VAL 63 -21.474 -8.245 2.573 396 HG12 VAL 63 HG12 VAL 63 -21.928 -7.392 1.076 397 HG13 VAL 63 HG13 VAL 63 -23.089 -7.566 2.401 398 HG21 VAL 63 HG21 VAL 63 -24.408 -10.005 -0.039 399 HG22 VAL 63 HG22 VAL 63 -24.836 -8.692 1.070 400 HG23 VAL 63 HG23 VAL 63 -23.838 -8.348 -0.351 401 H LYS 64 H LYS 64 -19.707 -8.646 -0.077 402 HA LYS 64 HA LYS 64 -20.395 -8.080 -2.938 403 HB2 LYS 64 HB2 LYS 64 -19.812 -5.745 -2.435 404 HB3 LYS 64 HB3 LYS 64 -21.111 -6.301 -1.409 405 HG2 LYS 64 HG2 LYS 64 -19.930 -5.995 0.504 406 HG3 LYS 64 HG3 LYS 64 -18.448 -6.672 -0.168 407 HD2 LYS 64 HD2 LYS 64 -18.163 -4.315 0.452 408 HD3 LYS 64 HD3 LYS 64 -17.857 -4.652 -1.244 409 HE2 LYS 64 HE2 LYS 64 -19.003 -2.529 -1.022 410 HE3 LYS 64 HE3 LYS 64 -20.008 -3.679 -1.903 411 HZ1 LYS 64 HZ1 LYS 64 -20.339 -3.074 0.987 412 HZ2 LYS 64 HZ2 LYS 64 -21.346 -3.995 0.068 413 HZ3 LYS 64 HZ3 LYS 64 -21.244 -2.401 -0.230 414 HA PRO 65 HA PRO 65 -15.997 -8.613 -3.722 415 HB2 PRO 65 HB2 PRO 65 -15.177 -6.391 -5.135 416 HB3 PRO 65 HB3 PRO 65 -16.122 -7.750 -5.833 417 HG2 PRO 65 HG2 PRO 65 -17.191 -5.117 -4.769 418 HG3 PRO 65 HG3 PRO 65 -17.541 -5.899 -6.346 419 HD2 PRO 65 HD2 PRO 65 -19.234 -6.207 -4.310 420 HD3 PRO 65 HD3 PRO 65 -18.822 -7.615 -5.308 421 H PHE 66 H PHE 66 -14.706 -8.563 -2.061 422 HA PHE 66 HA PHE 66 -14.814 -6.566 -0.003 423 HB2 PHE 66 HB2 PHE 66 -12.759 -8.763 -0.420 424 HB3 PHE 66 HB3 PHE 66 -13.122 -7.941 1.083 425 HD1 PHE 66 HD1 PHE 66 -16.150 -8.014 1.079 426 HD2 PHE 66 HD2 PHE 66 -13.248 -10.994 -0.066 427 HE1 PHE 66 HE1 PHE 66 -17.804 -9.793 1.516 428 HE2 PHE 66 HE2 PHE 66 -14.895 -12.783 0.439 429 HZ PHE 66 HZ PHE 66 -17.176 -12.191 1.201 430 H MET 67 H MET 67 -12.277 -7.387 -2.351 431 HA MET 67 HA MET 67 -10.473 -5.261 -1.827 432 HB2 MET 67 HB2 MET 67 -11.183 -6.888 -4.269 433 HB3 MET 67 HB3 MET 67 -10.155 -5.465 -4.442 434 HG2 MET 67 HG2 MET 67 -9.578 -7.733 -2.509 435 HG3 MET 67 HG3 MET 67 -8.860 -7.558 -4.116 436 HE1 MET 67 HE1 MET 67 -5.888 -6.698 -1.655 437 HE2 MET 67 HE2 MET 67 -7.146 -7.947 -1.524 438 HE3 MET 67 HE3 MET 67 -6.348 -7.653 -3.088 439 HA PRO 68 HA PRO 68 -13.699 -2.257 -2.438 440 HB2 PRO 68 HB2 PRO 68 -12.363 0.053 -1.722 441 HB3 PRO 68 HB3 PRO 68 -12.916 -1.194 -0.564 442 HG2 PRO 68 HG2 PRO 68 -10.158 -0.868 -1.794 443 HG3 PRO 68 HG3 PRO 68 -10.586 -1.119 -0.070 444 HD2 PRO 68 HD2 PRO 68 -9.807 -3.170 -1.663 445 HD3 PRO 68 HD3 PRO 68 -11.085 -3.383 -0.432 446 H THR 69 H THR 69 -14.466 -0.771 -3.941 447 HA THR 69 HA THR 69 -12.943 -0.373 -6.423 448 HB THR 69 HB THR 69 -14.997 0.642 -7.271 449 HG1 THR 69 HG1 THR 69 -16.070 0.086 -4.706 450 HG21 THR 69 HG21 THR 69 -14.827 -1.821 -7.352 451 HG22 THR 69 HG22 THR 69 -16.503 -1.273 -7.183 452 HG23 THR 69 HG23 THR 69 -15.647 -1.944 -5.782 453 H ALA 70 H ALA 70 -12.997 1.813 -7.427 454 HA ALA 70 HA ALA 70 -11.151 3.332 -6.054 455 HB1 ALA 70 HB1 ALA 70 -12.952 4.206 -8.341 456 HB2 ALA 70 HB2 ALA 70 -11.409 4.963 -7.877 457 HB3 ALA 70 HB3 ALA 70 -11.430 3.296 -8.478 458 H ALA 71 H ALA 71 -14.667 4.016 -6.036 459 HA ALA 71 HA ALA 71 -14.422 6.523 -4.592 460 HB1 ALA 71 HB1 ALA 71 -16.342 5.978 -6.031 461 HB2 ALA 71 HB2 ALA 71 -16.765 4.602 -4.984 462 HB3 ALA 71 HB3 ALA 71 -16.878 6.260 -4.366 463 H GLU 72 H GLU 72 -14.665 3.131 -3.601 464 HA GLU 72 HA GLU 72 -15.237 3.579 -0.803 465 HB2 GLU 72 HB2 GLU 72 -14.230 1.131 -2.285 466 HB3 GLU 72 HB3 GLU 72 -14.781 1.179 -0.611 467 HG2 GLU 72 HG2 GLU 72 -17.035 1.819 -1.355 468 HG3 GLU 72 HG3 GLU 72 -16.510 1.877 -3.032 469 H ARG 73 H ARG 73 -12.391 2.676 -2.814 470 HA ARG 73 HA ARG 73 -10.333 2.881 -0.877 471 HB2 ARG 73 HB2 ARG 73 -10.372 3.587 -3.844 472 HB3 ARG 73 HB3 ARG 73 -8.903 3.520 -2.864 473 HG2 ARG 73 HG2 ARG 73 -9.099 1.180 -2.500 474 HG3 ARG 73 HG3 ARG 73 -10.752 1.120 -3.107 475 HD2 ARG 73 HD2 ARG 73 -9.018 0.194 -4.666 476 HD3 ARG 73 HD3 ARG 73 -10.092 1.412 -5.361 477 HE ARG 73 HE ARG 73 -8.004 2.971 -4.601 478 HH11 ARG 73 HH11 ARG 73 -7.955 0.060 -6.603 479 HH12 ARG 73 HH12 ARG 73 -6.382 0.533 -7.255 480 HH21 ARG 73 HH21 ARG 73 -6.230 3.466 -5.520 481 HH22 ARG 73 HH22 ARG 73 -5.356 2.327 -6.545 482 H ASP 74 H ASP 74 -11.730 5.533 -2.862 483 HA ASP 74 HA ASP 74 -10.147 7.611 -1.791 484 HB2 ASP 74 HB2 ASP 74 -11.504 7.904 -3.773 485 HB3 ASP 74 HB3 ASP 74 -12.987 7.646 -2.864 486 H GLU 75 H GLU 75 -13.483 6.640 -0.664 487 HA GLU 75 HA GLU 75 -13.413 8.476 1.543 488 HB2 GLU 75 HB2 GLU 75 -15.378 7.433 2.356 489 HB3 GLU 75 HB3 GLU 75 -15.493 7.607 0.611 490 HG2 GLU 75 HG2 GLU 75 -14.943 5.242 0.334 491 HG3 GLU 75 HG3 GLU 75 -14.757 5.014 2.072 492 H ILE 76 H ILE 76 -12.202 5.186 1.285 493 HA ILE 76 HA ILE 76 -11.773 4.766 4.117 494 HB ILE 76 HB ILE 76 -10.778 3.421 1.591 495 HG12 ILE 76 HG12 ILE 76 -12.559 2.276 3.788 496 HG13 ILE 76 HG13 ILE 76 -13.238 3.272 2.522 497 HG21 ILE 76 HG21 ILE 76 -9.900 1.592 3.052 498 HG22 ILE 76 HG22 ILE 76 -8.995 3.099 3.205 499 HG23 ILE 76 HG23 ILE 76 -10.159 2.635 4.466 500 HD11 ILE 76 HD11 ILE 76 -13.590 1.068 1.815 501 HD12 ILE 76 HD12 ILE 76 -12.281 1.652 0.798 502 HD13 ILE 76 HD13 ILE 76 -11.916 0.578 2.164 503 H LEU 77 H LEU 77 -9.570 5.822 1.452 504 HA LEU 77 HA LEU 77 -7.310 6.417 3.140 505 HB2 LEU 77 HB2 LEU 77 -8.318 7.434 0.471 506 HB3 LEU 77 HB3 LEU 77 -6.873 8.107 1.212 507 HG LEU 77 HG LEU 77 -7.189 5.127 0.648 508 HD11 LEU 77 HD11 LEU 77 -7.362 6.462 -1.397 509 HD12 LEU 77 HD12 LEU 77 -5.818 5.583 -1.352 510 HD13 LEU 77 HD13 LEU 77 -5.866 7.329 -0.980 511 HD21 LEU 77 HD21 LEU 77 -5.450 5.636 2.327 512 HD22 LEU 77 HD22 LEU 77 -4.763 6.883 1.270 513 HD23 LEU 77 HD23 LEU 77 -4.694 5.169 0.799 514 H ARG 78 H ARG 78 -10.203 8.260 2.351 515 HA ARG 78 HA ARG 78 -9.412 10.660 3.797 516 HB2 ARG 78 HB2 ARG 78 -12.063 9.648 2.760 517 HB3 ARG 78 HB3 ARG 78 -11.928 11.137 3.688 518 HG2 ARG 78 HG2 ARG 78 -10.731 12.277 2.069 519 HG3 ARG 78 HG3 ARG 78 -10.154 10.805 1.291 520 HD2 ARG 78 HD2 ARG 78 -11.834 11.936 -0.095 521 HD3 ARG 78 HD3 ARG 78 -12.329 10.317 0.383 522 HE ARG 78 HE ARG 78 -13.331 12.581 2.026 523 HH11 ARG 78 HH11 ARG 78 -14.143 10.394 -0.648 524 HH12 ARG 78 HH12 ARG 78 -15.854 10.460 -0.188 525 HH21 ARG 78 HH21 ARG 78 -15.586 12.635 2.348 526 HH22 ARG 78 HH22 ARG 78 -16.574 11.647 1.278 527 H ALA 79 H ALA 79 -11.088 7.694 4.780 528 HA ALA 79 HA ALA 79 -11.719 8.642 7.445 529 HB1 ALA 79 HB1 ALA 79 -11.469 5.789 6.399 530 HB2 ALA 79 HB2 ALA 79 -12.291 6.311 7.882 531 HB3 ALA 79 HB3 ALA 79 -12.935 6.790 6.308 532 H VAL 80 H VAL 80 -8.866 6.975 6.069 533 HA VAL 80 HA VAL 80 -7.427 7.005 8.633 534 HB VAL 80 HB VAL 80 -6.309 6.931 5.807 535 HG11 VAL 80 HG11 VAL 80 -4.329 5.950 6.924 536 HG12 VAL 80 HG12 VAL 80 -4.646 7.576 7.530 537 HG13 VAL 80 HG13 VAL 80 -5.110 6.168 8.509 538 HG21 VAL 80 HG21 VAL 80 -6.051 4.495 6.205 539 HG22 VAL 80 HG22 VAL 80 -6.942 4.646 7.736 540 HG23 VAL 80 HG23 VAL 80 -7.752 4.956 6.192 541 H GLY 81 H GLY 81 -7.733 9.166 5.810 542 HA2 GLY 81 HA2 GLY 81 -7.627 11.463 5.656 543 HA3 GLY 81 HA3 GLY 81 -7.249 11.574 7.380 544 H ASN 82 H ASN 82 -5.257 9.316 5.908 545 HA ASN 82 HA ASN 82 -3.096 10.960 5.005 546 HB2 ASN 82 HB2 ASN 82 -3.009 11.407 7.461 547 HB3 ASN 82 HB3 ASN 82 -2.996 9.671 7.786 548 HD21 ASN 82 HD21 ASN 82 -1.149 12.121 5.875 549 HD22 ASN 82 HD22 ASN 82 0.418 11.367 6.195 550 H MET 83 H MET 83 -1.048 9.528 4.765 551 HA MET 83 HA MET 83 -1.674 7.238 3.232 552 HB2 MET 83 HB2 MET 83 0.382 8.948 3.275 553 HB3 MET 83 HB3 MET 83 1.054 7.805 4.423 554 HG2 MET 83 HG2 MET 83 1.953 7.030 2.491 555 HG3 MET 83 HG3 MET 83 0.507 6.032 2.520 556 HE1 MET 83 HE1 MET 83 -1.612 7.335 -0.400 557 HE2 MET 83 HE2 MET 83 -1.443 6.246 0.998 558 HE3 MET 83 HE3 MET 83 -1.898 7.956 1.235 559 HA PRO 84 HA PRO 84 -1.536 4.329 6.741 560 HB2 PRO 84 HB2 PRO 84 -1.990 1.989 5.350 561 HB3 PRO 84 HB3 PRO 84 -3.252 3.124 5.900 562 HG2 PRO 84 HG2 PRO 84 -2.203 2.709 3.129 563 HG3 PRO 84 HG3 PRO 84 -3.805 3.263 3.670 564 HD2 PRO 84 HD2 PRO 84 -1.728 4.945 2.750 565 HD3 PRO 84 HD3 PRO 84 -3.192 5.472 3.626 566 H TYR 85 H TYR 85 0.572 4.752 4.179 567 HA TYR 85 HA TYR 85 2.650 2.970 5.327 568 HB2 TYR 85 HB2 TYR 85 3.593 3.021 2.922 569 HB3 TYR 85 HB3 TYR 85 2.330 1.912 3.383 570 HD1 TYR 85 HD2 TYR 85 -0.034 2.321 2.739 571 HD2 TYR 85 HD1 TYR 85 3.248 4.507 1.051 572 HE1 TYR 85 HE2 TYR 85 -1.466 2.967 0.793 573 HE2 TYR 85 HE1 TYR 85 1.841 5.152 -0.892 574 HH TYR 85 HH TYR 85 -0.213 4.965 -1.902 Start of MODEL 3 1 H ASN 14 H1 ASN 14 -3.039 -3.740 -3.606 2 HA ASN 14 HA ASN 14 -3.202 -1.898 -5.089 3 HB2 ASN 14 HB2 ASN 14 -4.006 -0.247 -3.466 4 HB3 ASN 14 HB3 ASN 14 -2.434 -0.240 -2.653 5 HD21 ASN 14 HD21 ASN 14 -4.053 0.498 -5.823 6 HD22 ASN 14 HD22 ASN 14 -2.825 1.664 -6.286 7 HA PRO 15 HA PRO 15 1.293 -2.612 -5.345 8 HB2 PRO 15 HB2 PRO 15 1.601 -2.282 -8.014 9 HB3 PRO 15 HB3 PRO 15 0.825 -3.742 -7.338 10 HG2 PRO 15 HG2 PRO 15 -0.530 -1.280 -8.492 11 HG3 PRO 15 HG3 PRO 15 -0.889 -2.993 -8.831 12 HD2 PRO 15 HD2 PRO 15 -2.285 -1.489 -6.990 13 HD3 PRO 15 HD3 PRO 15 -2.050 -3.255 -6.828 14 H CYS 16 H CYS 16 2.741 -0.951 -4.824 15 HA CYS 16 HA CYS 16 1.883 1.833 -5.420 16 HB2 CYS 16 2HB CYS 16 3.396 0.464 -3.240 17 HB3 CYS 16 3HB CYS 16 3.743 2.161 -3.577 18 H LEU 17 H LEU 17 2.505 1.971 -7.591 19 HA LEU 17 HA LEU 17 5.095 1.214 -8.535 20 HB2 LEU 17 HB2 LEU 17 2.764 2.762 -9.687 21 HB3 LEU 17 HB3 LEU 17 4.319 2.795 -10.504 22 HG LEU 17 HG LEU 17 4.357 0.309 -10.592 23 HD11 LEU 17 HD11 LEU 17 1.476 0.570 -9.620 24 HD12 LEU 17 HD12 LEU 17 2.806 -0.280 -8.793 25 HD13 LEU 17 HD13 LEU 17 2.190 -0.894 -10.327 26 HD21 LEU 17 HD21 LEU 17 3.609 1.729 -12.485 27 HD22 LEU 17 HD22 LEU 17 1.936 1.623 -11.889 28 HD23 LEU 17 HD23 LEU 17 2.788 0.163 -12.445 29 H SER 18 H SER 18 3.962 4.357 -7.316 30 HA SER 18 HA SER 18 6.290 5.870 -8.218 31 HB2 SER 18 HB2 SER 18 4.479 6.391 -5.856 32 HB3 SER 18 HB3 SER 18 5.536 7.571 -6.654 33 HG SER 18 HG SER 18 3.845 8.011 -7.777 34 H GLU 19 H GLU 19 5.306 4.350 -5.122 35 HA GLU 19 HA GLU 19 7.688 4.960 -3.648 36 HB2 GLU 19 HB2 GLU 19 5.261 3.788 -3.094 37 HB3 GLU 19 HB3 GLU 19 6.263 2.352 -3.173 38 HG2 GLU 19 HG2 GLU 19 6.165 3.061 -0.903 39 HG3 GLU 19 HG3 GLU 19 7.798 3.418 -1.473 40 H SER 20 H SER 20 6.824 2.376 -5.855 41 HA SER 20 HA SER 20 9.248 0.774 -5.566 42 HB2 SER 20 HB2 SER 20 7.441 0.996 -8.006 43 HB3 SER 20 HB3 SER 20 8.654 -0.251 -7.684 44 HG SER 20 HG SER 20 6.305 0.297 -6.176 45 H ASP 21 H ASP 21 8.277 3.330 -7.926 46 HA ASP 21 HA ASP 21 10.720 3.249 -9.401 47 HB2 ASP 21 HB2 ASP 21 8.580 4.251 -10.212 48 HB3 ASP 21 HB3 ASP 21 8.765 5.561 -9.040 49 H ALA 22 H ALA 22 9.728 5.273 -6.606 50 HA ALA 22 HA ALA 22 12.122 6.796 -6.476 51 HB1 ALA 22 HB1 ALA 22 9.881 7.280 -5.418 52 HB2 ALA 22 HB2 ALA 22 10.211 6.023 -4.223 53 HB3 ALA 22 HB3 ALA 22 11.258 7.471 -4.317 54 H SER 23 H SER 23 11.252 3.707 -4.821 55 HA SER 23 HA SER 23 13.767 3.184 -3.587 56 HB2 SER 23 HB2 SER 23 11.611 1.791 -3.462 57 HB3 SER 23 HB3 SER 23 12.114 1.053 -4.986 58 HG SER 23 HG SER 23 12.945 -0.148 -3.254 59 H THR 24 H THR 24 12.702 2.248 -6.932 60 HA THR 24 HA THR 24 15.194 1.177 -7.731 61 HB THR 24 HB THR 24 12.917 2.343 -9.344 62 HG1 THR 24 HG1 THR 24 12.257 0.257 -9.344 63 HG21 THR 24 HG21 THR 24 15.174 0.491 -10.237 64 HG22 THR 24 HG22 THR 24 14.904 2.156 -10.816 65 HG23 THR 24 HG23 THR 24 13.725 0.893 -11.188 66 H ARG 25 H ARG 25 14.072 4.567 -7.894 67 HA ARG 25 HA ARG 25 16.412 5.632 -9.217 68 HB2 ARG 25 HB2 ARG 25 14.630 7.023 -7.171 69 HB3 ARG 25 HB3 ARG 25 15.803 7.774 -8.239 70 HG2 ARG 25 HG2 ARG 25 13.014 6.989 -8.781 71 HG3 ARG 25 HG3 ARG 25 13.946 8.373 -9.283 72 HD2 ARG 25 HD2 ARG 25 15.122 6.992 -10.962 73 HD3 ARG 25 HD3 ARG 25 14.110 5.606 -10.490 74 HE ARG 25 HE ARG 25 12.108 7.023 -11.096 75 HH11 ARG 25 HH11 ARG 25 15.103 7.487 -12.898 76 HH12 ARG 25 HH12 ARG 25 14.276 8.295 -14.194 77 HH21 ARG 25 HH21 ARG 25 11.165 8.163 -12.751 78 HH22 ARG 25 HH22 ARG 25 12.143 8.655 -14.113 79 H CYS 26 H CYS 26 15.653 5.152 -5.725 80 HA CYS 26 HA CYS 26 18.139 6.121 -4.696 81 HB2 CYS 26 2HB CYS 26 16.409 5.728 -3.135 82 HB3 CYS 26 3HB CYS 26 16.107 4.098 -3.705 83 H LEU 27 H LEU 27 17.218 2.842 -5.750 84 HA LEU 27 HA LEU 27 19.731 1.581 -5.255 85 HB2 LEU 27 HB2 LEU 27 17.182 1.057 -6.782 86 HB3 LEU 27 HB3 LEU 27 18.545 -0.010 -7.056 87 HG LEU 27 HG LEU 27 18.658 -0.726 -4.939 88 HD11 LEU 27 HD11 LEU 27 16.793 1.352 -3.789 89 HD12 LEU 27 HD12 LEU 27 18.533 1.175 -3.458 90 HD13 LEU 27 HD13 LEU 27 17.408 -0.062 -2.935 91 HD21 LEU 27 HD21 LEU 27 16.498 -1.735 -4.502 92 HD22 LEU 27 HD22 LEU 27 16.553 -1.405 -6.248 93 HD23 LEU 27 HD23 LEU 27 15.653 -0.325 -5.183 94 H ASP 28 H ASP 28 18.503 3.083 -8.162 95 HA ASP 28 HA ASP 28 20.873 2.726 -9.776 96 HB2 ASP 28 HB2 ASP 28 18.551 3.488 -10.540 97 HB3 ASP 28 HB3 ASP 28 18.979 5.096 -9.961 98 H GLU 29 H GLU 29 19.992 5.267 -7.422 99 HA GLU 29 HA GLU 29 22.255 6.976 -7.778 100 HB2 GLU 29 HB2 GLU 29 19.994 6.698 -5.936 101 HB3 GLU 29 HB3 GLU 29 21.411 7.120 -5.044 102 HG2 GLU 29 HG2 GLU 29 20.943 8.696 -7.580 103 HG3 GLU 29 HG3 GLU 29 19.700 8.837 -6.360 104 H ASN 30 H ASN 30 21.737 4.339 -5.407 105 HA ASN 30 HA ASN 30 24.630 4.391 -4.741 106 HB2 ASN 30 HB2 ASN 30 23.802 3.784 -2.426 107 HB3 ASN 30 HB3 ASN 30 23.527 5.434 -2.973 108 HD21 ASN 30 HD21 ASN 30 21.814 2.327 -3.176 109 HD22 ASN 30 HD22 ASN 30 20.215 3.069 -3.030 110 H ASN 31 H ASN 31 24.576 2.774 -6.607 111 HA ASN 31 HA ASN 31 24.541 0.630 -7.416 112 HB2 ASN 31 HB2 ASN 31 26.755 1.288 -6.479 113 HB3 ASN 31 HB3 ASN 31 26.387 0.342 -5.034 114 HD21 ASN 31 HD21 ASN 31 28.120 -1.183 -5.422 115 HD22 ASN 31 HD22 ASN 31 28.011 -2.312 -6.779 116 H TYR 32 H TYR 32 22.186 0.436 -6.537 117 HA TYR 32 HA TYR 32 20.550 -0.898 -5.950 118 HB2 TYR 32 HB2 TYR 32 22.347 -2.381 -7.388 119 HB3 TYR 32 HB3 TYR 32 22.004 -3.452 -6.054 120 HD1 TYR 32 HD1 TYR 32 19.134 -3.016 -5.480 121 HD2 TYR 32 HD2 TYR 32 21.233 -3.175 -9.253 122 HE1 TYR 32 HE1 TYR 32 17.035 -3.580 -6.626 123 HE2 TYR 32 HE2 TYR 32 19.122 -3.830 -10.387 124 HH TYR 32 HH TYR 32 16.945 -4.369 -10.139 125 H ASP 33 H ASP 33 21.911 0.125 -3.597 126 HA ASP 33 HA ASP 33 21.923 -1.939 -1.637 127 HB2 ASP 33 HB2 ASP 33 23.270 0.242 -1.678 128 HB3 ASP 33 HB3 ASP 33 21.891 0.957 -0.855 129 H ARG 34 H ARG 34 19.886 -2.639 -2.412 130 HA ARG 34 HA ARG 34 17.300 -1.863 -1.686 131 HB2 ARG 34 HB2 ARG 34 16.679 -4.134 -1.974 132 HB3 ARG 34 HB3 ARG 34 18.048 -3.871 -3.051 133 HG2 ARG 34 HG2 ARG 34 19.491 -4.846 -1.087 134 HG3 ARG 34 HG3 ARG 34 17.955 -5.412 -0.427 135 HD2 ARG 34 HD2 ARG 34 19.187 -6.116 -3.116 136 HD3 ARG 34 HD3 ARG 34 19.089 -7.168 -1.713 137 HE ARG 34 HE ARG 34 16.898 -6.385 -3.569 138 HH11 ARG 34 HH11 ARG 34 17.764 -8.459 -0.821 139 HH12 ARG 34 HH12 ARG 34 16.287 -9.391 -1.057 140 HH21 ARG 34 HH21 ARG 34 15.113 -7.745 -3.735 141 HH22 ARG 34 HH22 ARG 34 14.970 -9.044 -2.552 142 H GLU 35 H GLU 35 19.775 -2.810 0.519 143 HA GLU 35 HA GLU 35 17.969 -3.203 2.816 144 HB2 GLU 35 HB2 GLU 35 20.975 -2.916 2.628 145 HB3 GLU 35 HB3 GLU 35 20.096 -3.318 4.101 146 HG2 GLU 35 HG2 GLU 35 19.427 -5.444 3.272 147 HG3 GLU 35 HG3 GLU 35 19.879 -5.065 1.611 148 H ARG 36 H ARG 36 20.381 -0.668 1.832 149 HA ARG 36 HA ARG 36 19.541 1.223 3.844 150 HB2 ARG 36 HB2 ARG 36 21.005 1.524 1.198 151 HB3 ARG 36 HB3 ARG 36 20.642 2.906 2.218 152 HG2 ARG 36 HG2 ARG 36 22.325 0.521 3.085 153 HG3 ARG 36 HG3 ARG 36 22.921 2.098 2.555 154 HD2 ARG 36 HD2 ARG 36 21.437 3.081 4.453 155 HD3 ARG 36 HD3 ARG 36 21.390 1.444 5.101 156 HE ARG 36 HE ARG 36 23.571 3.331 5.254 157 HH11 ARG 36 HH11 ARG 36 23.005 -0.135 5.228 158 HH12 ARG 36 HH12 ARG 36 24.731 -0.456 5.368 159 HH21 ARG 36 HH21 ARG 36 25.570 2.839 5.809 160 HH22 ARG 36 HH22 ARG 36 26.064 1.175 6.131 161 H CYS 37 H CYS 37 18.047 0.463 0.776 162 HA CYS 37 HA CYS 37 15.952 2.475 1.542 163 HB2 CYS 37 2HB CYS 37 16.911 1.595 -1.145 164 HB3 CYS 37 3HB CYS 37 15.254 2.176 -0.960 165 H SER 38 H SER 38 16.204 -0.356 2.617 166 HA SER 38 HA SER 38 14.089 -1.965 1.682 167 HB2 SER 38 HB2 SER 38 15.672 -2.824 3.257 168 HB3 SER 38 HB3 SER 38 15.208 -1.634 4.480 169 HG SER 38 HG SER 38 14.279 -3.919 4.531 170 H THR 39 H THR 39 13.831 0.937 3.745 171 HA THR 39 HA THR 39 11.186 0.492 4.673 172 HB THR 39 HB THR 39 12.770 3.023 4.297 173 HG1 THR 39 HG1 THR 39 13.217 1.349 5.945 174 HG21 THR 39 HG21 THR 39 11.127 4.108 5.814 175 HG22 THR 39 HG22 THR 39 10.025 2.733 5.581 176 HG23 THR 39 HG23 THR 39 10.461 3.786 4.212 177 H TYR 40 H TYR 40 12.229 1.451 1.437 178 HA TYR 40 HA TYR 40 9.605 2.478 0.623 179 HB2 TYR 40 HB2 TYR 40 12.008 1.489 -0.958 180 HB3 TYR 40 HB3 TYR 40 10.525 2.122 -1.659 181 HD1 TYR 40 HD2 TYR 40 13.169 3.154 0.839 182 HD2 TYR 40 HD1 TYR 40 10.439 4.332 -2.276 183 HE1 TYR 40 HE2 TYR 40 14.055 5.486 0.947 184 HE2 TYR 40 HE1 TYR 40 11.366 6.629 -2.223 185 HH TYR 40 HH TYR 40 13.865 7.648 0.137 186 H PHE 41 H PHE 41 11.316 -0.654 0.346 187 HA PHE 41 HA PHE 41 9.130 -2.007 -1.009 188 HB2 PHE 41 HB2 PHE 41 11.440 -3.140 0.610 189 HB3 PHE 41 HB3 PHE 41 10.344 -4.075 -0.400 190 HD1 PHE 41 HD1 PHE 41 10.055 -3.003 -2.912 191 HD2 PHE 41 HD2 PHE 41 13.525 -2.672 -0.374 192 HE1 PHE 41 HE1 PHE 41 11.492 -2.623 -4.913 193 HE2 PHE 41 HE2 PHE 41 14.950 -2.293 -2.370 194 HZ PHE 41 HZ PHE 41 13.936 -2.283 -4.642 195 H LEU 42 H LEU 42 9.975 -1.572 2.408 196 HA LEU 42 HA LEU 42 7.764 -2.995 3.510 197 HB2 LEU 42 HB2 LEU 42 9.458 -2.379 5.046 198 HB3 LEU 42 HB3 LEU 42 9.637 -0.800 4.332 199 HG LEU 42 HG LEU 42 7.525 -0.031 5.411 200 HD11 LEU 42 HD11 LEU 42 6.554 -1.335 7.201 201 HD12 LEU 42 HD12 LEU 42 7.745 -2.633 6.956 202 HD13 LEU 42 HD13 LEU 42 6.494 -2.306 5.732 203 HD21 LEU 42 HD21 LEU 42 9.712 -1.124 7.210 204 HD22 LEU 42 HD22 LEU 42 8.484 0.055 7.697 205 HD23 LEU 42 HD23 LEU 42 9.659 0.472 6.441 206 H ARG 43 H ARG 43 7.939 0.488 2.602 207 HA ARG 43 HA ARG 43 5.175 0.987 3.193 208 HB2 ARG 43 HB2 ARG 43 7.093 2.301 1.244 209 HB3 ARG 43 HB3 ARG 43 5.451 2.899 1.593 210 HG2 ARG 43 HG2 ARG 43 5.951 3.283 3.880 211 HG3 ARG 43 HG3 ARG 43 7.462 2.411 3.798 212 HD2 ARG 43 HD2 ARG 43 7.871 4.862 3.820 213 HD3 ARG 43 HD3 ARG 43 8.475 4.094 2.357 214 HE ARG 43 HE ARG 43 7.089 5.460 1.122 215 HH11 ARG 43 HH11 ARG 43 5.734 5.395 4.332 216 HH12 ARG 43 HH12 ARG 43 4.189 5.987 3.796 217 HH21 ARG 43 HH21 ARG 43 5.206 6.400 0.507 218 HH22 ARG 43 HH22 ARG 43 4.148 7.054 1.755 219 H TYR 44 H TYR 44 6.665 -0.507 0.410 220 HA TYR 44 HA TYR 44 4.184 -0.542 -1.173 221 HB2 TYR 44 HB2 TYR 44 6.371 -0.644 -2.216 222 HB3 TYR 44 HB3 TYR 44 6.726 -2.194 -1.454 223 HD1 TYR 44 HD1 TYR 44 5.032 -4.158 -2.036 224 HD2 TYR 44 HD2 TYR 44 5.501 -0.537 -4.291 225 HE1 TYR 44 HE1 TYR 44 4.080 -5.285 -4.060 226 HE2 TYR 44 HE2 TYR 44 4.587 -1.676 -6.329 227 HH TYR 44 HH TYR 44 3.871 -3.656 -7.231 228 H LYS 45 H LYS 45 5.776 -2.829 1.089 229 HA LYS 45 HA LYS 45 3.737 -4.836 0.953 230 HB2 LYS 45 HB2 LYS 45 6.150 -4.820 2.031 231 HB3 LYS 45 HB3 LYS 45 5.308 -4.284 3.485 232 HG2 LYS 45 HG2 LYS 45 3.830 -6.269 3.370 233 HG3 LYS 45 HG3 LYS 45 4.582 -6.764 1.852 234 HD2 LYS 45 HD2 LYS 45 5.927 -6.627 4.576 235 HD3 LYS 45 HD3 LYS 45 5.441 -8.084 3.720 236 HE2 LYS 45 HE2 LYS 45 7.660 -6.138 2.969 237 HE3 LYS 45 HE3 LYS 45 7.827 -7.798 3.535 238 HZ1 LYS 45 HZ1 LYS 45 6.622 -8.459 1.444 239 HZ2 LYS 45 HZ2 LYS 45 8.126 -7.846 1.243 240 HZ3 LYS 45 HZ3 LYS 45 6.848 -6.899 0.891 241 H ASN 46 H ASN 46 3.950 -1.860 2.896 242 HA ASN 46 HA ASN 46 1.547 -2.267 4.410 243 HB2 ASN 46 HB2 ASN 46 2.761 0.366 3.473 244 HB3 ASN 46 HB3 ASN 46 1.566 0.166 4.741 245 HD21 ASN 46 HD21 ASN 46 3.967 1.532 5.174 246 HD22 ASN 46 HD22 ASN 46 4.984 0.581 6.236 247 H CYS 47 H CYS 47 2.054 -0.968 1.089 248 HA CYS 47 HA CYS 47 -0.680 -0.295 0.651 249 HB2 CYS 47 2HB CYS 47 1.389 -1.212 -1.411 250 HB3 CYS 47 3HB CYS 47 -0.073 -0.313 -1.721 251 H ARG 48 H ARG 48 0.856 -3.392 0.599 252 HA ARG 48 HA ARG 48 -1.637 -4.719 -0.374 253 HB2 ARG 48 HB2 ARG 48 0.880 -5.965 0.858 254 HB3 ARG 48 HB3 ARG 48 -0.414 -6.832 0.056 255 HG2 ARG 48 HG2 ARG 48 1.487 -4.874 -1.329 256 HG3 ARG 48 HG3 ARG 48 1.682 -6.621 -1.249 257 HD2 ARG 48 HD2 ARG 48 -0.577 -6.862 -2.363 258 HD3 ARG 48 HD3 ARG 48 -0.554 -5.099 -2.621 259 HE ARG 48 HE ARG 48 1.829 -6.523 -3.582 260 HH11 ARG 48 HH11 ARG 48 -1.472 -5.877 -4.598 261 HH12 ARG 48 HH12 ARG 48 -0.988 -5.778 -6.287 262 HH21 ARG 48 HH21 ARG 48 2.289 -6.567 -5.750 263 HH22 ARG 48 HH22 ARG 48 1.088 -6.122 -6.907 264 H ARG 49 H ARG 49 0.209 -4.662 2.697 265 HA ARG 49 HA ARG 49 -1.617 -6.195 4.164 266 HB2 ARG 49 HB2 ARG 49 0.633 -5.813 4.912 267 HB3 ARG 49 HB3 ARG 49 0.346 -4.083 5.138 268 HG2 ARG 49 HG2 ARG 49 -1.096 -4.426 7.000 269 HG3 ARG 49 HG3 ARG 49 -1.317 -6.141 6.642 270 HD2 ARG 49 HD2 ARG 49 1.346 -4.929 7.481 271 HD3 ARG 49 HD3 ARG 49 0.184 -5.607 8.621 272 HE ARG 49 HE ARG 49 1.935 -7.064 6.790 273 HH11 ARG 49 HH11 ARG 49 -0.807 -7.493 9.024 274 HH12 ARG 49 HH12 ARG 49 -0.798 -9.214 8.735 275 HH21 ARG 49 HH21 ARG 49 1.804 -9.259 6.537 276 HH22 ARG 49 HH22 ARG 49 0.637 -10.142 7.512 277 H PHE 50 H PHE 50 -1.715 -2.578 3.782 278 HA PHE 50 HA PHE 50 -3.823 -2.234 5.706 279 HB2 PHE 50 HB2 PHE 50 -2.510 -0.388 4.677 280 HB3 PHE 50 HB3 PHE 50 -3.294 -0.658 3.147 281 HD1 PHE 50 HD2 PHE 50 -4.087 0.126 6.753 282 HD2 PHE 50 HD1 PHE 50 -5.407 0.320 2.658 283 HE1 PHE 50 HE2 PHE 50 -6.020 1.526 7.435 284 HE2 PHE 50 HE1 PHE 50 -7.353 1.692 3.342 285 HZ PHE 50 HZ PHE 50 -7.654 2.312 5.737 286 H TRP 51 H TRP 51 -3.932 -2.624 2.169 287 HA TRP 51 HA TRP 51 -6.828 -2.610 2.167 288 HB2 TRP 51 HB2 TRP 51 -4.792 -3.187 0.008 289 HB3 TRP 51 HB3 TRP 51 -6.529 -3.129 -0.255 290 HD1 TRP 51 HD1 TRP 51 -3.545 -0.816 0.108 291 HE1 TRP 51 HE1 TRP 51 -4.254 1.588 -0.246 292 HE3 TRP 51 HE3 TRP 51 -8.597 -1.351 0.802 293 HZ2 TRP 51 HZ2 TRP 51 -6.600 3.152 0.076 294 HZ3 TRP 51 HZ3 TRP 51 -9.987 0.702 1.074 295 HH2 TRP 51 HH2 TRP 51 -8.994 2.949 0.725 296 H ASN 52 H ASN 52 -4.490 -5.284 2.302 297 HA ASN 52 HA ASN 52 -6.411 -7.421 2.145 298 HB2 ASN 52 HB2 ASN 52 -3.599 -7.018 3.209 299 HB3 ASN 52 HB3 ASN 52 -4.501 -8.401 3.766 300 HD21 ASN 52 HD21 ASN 52 -3.383 -6.818 0.770 301 HD22 ASN 52 HD22 ASN 52 -3.454 -8.291 -0.196 302 H SER 53 H SER 53 -5.373 -5.305 4.851 303 HA SER 53 HA SER 53 -6.890 -6.700 6.862 304 HB2 SER 53 HB2 SER 53 -6.063 -3.774 6.870 305 HB3 SER 53 HB3 SER 53 -6.543 -4.759 8.250 306 HG SER 53 HG SER 53 -4.263 -5.155 6.579 307 H ILE 54 H ILE 54 -7.711 -3.948 4.662 308 HA ILE 54 HA ILE 54 -10.392 -3.591 5.641 309 HB ILE 54 HB ILE 54 -9.219 -3.087 2.882 310 HG12 ILE 54 HG12 ILE 54 -8.058 -1.773 4.587 311 HG13 ILE 54 HG13 ILE 54 -9.020 -0.760 3.549 312 HG21 ILE 54 HG21 ILE 54 -11.138 -1.463 2.649 313 HG22 ILE 54 HG22 ILE 54 -11.594 -3.168 2.602 314 HG23 ILE 54 HG23 ILE 54 -11.878 -2.216 4.075 315 HD11 ILE 54 HD11 ILE 54 -10.748 -0.572 5.338 316 HD12 ILE 54 HD12 ILE 54 -9.753 -1.611 6.390 317 HD13 ILE 54 HD13 ILE 54 -9.155 -0.025 5.879 318 H VAL 55 H VAL 55 -9.120 -5.727 3.044 319 HA VAL 55 HA VAL 55 -11.552 -6.966 2.318 320 HB VAL 55 HB VAL 55 -8.690 -7.947 2.365 321 HG11 VAL 55 HG11 VAL 55 -9.991 -10.002 2.488 322 HG12 VAL 55 HG12 VAL 55 -11.052 -9.444 1.177 323 HG13 VAL 55 HG13 VAL 55 -9.347 -9.782 0.861 324 HG21 VAL 55 HG21 VAL 55 -10.491 -7.317 0.015 325 HG22 VAL 55 HG22 VAL 55 -9.442 -6.106 0.772 326 HG23 VAL 55 HG23 VAL 55 -8.736 -7.546 0.032 327 H MET 56 H MET 56 -9.272 -8.049 4.934 328 HA MET 56 HA MET 56 -10.962 -10.151 5.890 329 HB2 MET 56 HB2 MET 56 -8.850 -8.444 7.271 330 HB3 MET 56 HB3 MET 56 -9.655 -9.808 8.049 331 HG2 MET 56 HG2 MET 56 -8.025 -9.988 5.489 332 HG3 MET 56 HG3 MET 56 -7.449 -10.397 7.104 333 HE1 MET 56 HE1 MET 56 -7.199 -12.359 4.622 334 HE2 MET 56 HE2 MET 56 -6.626 -12.728 6.267 335 HE3 MET 56 HE3 MET 56 -7.645 -13.895 5.395 336 H GLN 57 H GLN 57 -10.967 -6.701 6.690 337 HA GLN 57 HA GLN 57 -12.974 -6.916 8.806 338 HB2 GLN 57 HB2 GLN 57 -11.497 -4.719 7.362 339 HB3 GLN 57 HB3 GLN 57 -12.991 -4.292 8.149 340 HG2 GLN 57 HG2 GLN 57 -10.759 -4.003 9.426 341 HG3 GLN 57 HG3 GLN 57 -12.205 -4.557 10.255 342 HE21 GLN 57 HE21 GLN 57 -9.402 -6.116 8.531 343 HE22 GLN 57 HE22 GLN 57 -9.246 -7.378 9.760 344 H ARG 58 H ARG 58 -13.179 -6.656 5.318 345 HA ARG 58 HA ARG 58 -16.130 -6.252 5.436 346 HB2 ARG 58 HB2 ARG 58 -14.100 -6.548 3.182 347 HB3 ARG 58 HB3 ARG 58 -15.853 -6.473 2.917 348 HG2 ARG 58 HG2 ARG 58 -15.993 -4.307 3.982 349 HG3 ARG 58 HG3 ARG 58 -14.263 -4.289 4.335 350 HD2 ARG 58 HD2 ARG 58 -13.667 -4.102 2.066 351 HD3 ARG 58 HD3 ARG 58 -15.265 -4.612 1.492 352 HE ARG 58 HE ARG 58 -14.916 -2.048 3.000 353 HH11 ARG 58 HH11 ARG 58 -16.008 -3.509 -0.099 354 HH12 ARG 58 HH12 ARG 58 -16.814 -1.991 -0.476 355 HH21 ARG 58 HH21 ARG 58 -15.940 -0.357 2.356 356 HH22 ARG 58 HH22 ARG 58 -16.880 -0.370 0.841 357 H ARG 59 H ARG 59 -13.884 -8.879 5.001 358 HA ARG 59 HA ARG 59 -15.854 -10.738 3.996 359 HB2 ARG 59 HB2 ARG 59 -13.486 -10.848 3.464 360 HB3 ARG 59 HB3 ARG 59 -13.097 -11.269 5.138 361 HG2 ARG 59 HG2 ARG 59 -14.187 -13.388 4.950 362 HG3 ARG 59 HG3 ARG 59 -15.001 -12.948 3.438 363 HD2 ARG 59 HD2 ARG 59 -12.970 -12.955 2.207 364 HD3 ARG 59 HD3 ARG 59 -11.982 -13.042 3.685 365 HE ARG 59 HE ARG 59 -13.812 -15.324 3.210 366 HH11 ARG 59 HH11 ARG 59 -10.530 -14.217 2.671 367 HH12 ARG 59 HH12 ARG 59 -9.937 -15.860 2.567 368 HH21 ARG 59 HH21 ARG 59 -13.012 -17.253 3.014 369 HH22 ARG 59 HH22 ARG 59 -11.276 -17.568 2.947 370 H LYS 60 H LYS 60 -15.090 -9.839 7.261 371 HA LYS 60 HA LYS 60 -16.201 -11.967 8.710 372 HB2 LYS 60 HB2 LYS 60 -16.509 -10.438 10.503 373 HB3 LYS 60 HB3 LYS 60 -15.050 -9.949 9.633 374 HG2 LYS 60 HG2 LYS 60 -16.498 -8.212 8.426 375 HG3 LYS 60 HG3 LYS 60 -17.812 -8.659 9.531 376 HD2 LYS 60 HD2 LYS 60 -16.400 -8.044 11.474 377 HD3 LYS 60 HD3 LYS 60 -15.098 -7.594 10.347 378 HE2 LYS 60 HE2 LYS 60 -16.643 -5.938 9.282 379 HE3 LYS 60 HE3 LYS 60 -17.876 -6.327 10.481 380 HZ1 LYS 60 HZ1 LYS 60 -16.411 -4.338 10.939 381 HZ2 LYS 60 HZ2 LYS 60 -15.188 -5.396 11.299 382 HZ3 LYS 60 HZ3 LYS 60 -16.560 -5.409 12.179 383 H ASN 61 H ASN 61 -18.073 -9.597 6.816 384 HA ASN 61 HA ASN 61 -20.567 -10.953 7.720 385 HB2 ASN 61 HB2 ASN 61 -20.062 -8.277 6.413 386 HB3 ASN 61 HB3 ASN 61 -21.649 -9.022 6.472 387 HD21 ASN 61 HD21 ASN 61 -19.459 -7.127 8.184 388 HD22 ASN 61 HD22 ASN 61 -20.296 -7.115 9.730 389 H GLY 62 H GLY 62 -18.367 -11.074 5.101 390 HA2 GLY 62 HA2 GLY 62 -18.307 -12.579 3.389 391 HA3 GLY 62 HA3 GLY 62 -19.774 -13.275 4.057 392 H VAL 63 H VAL 63 -20.270 -10.076 3.123 393 HA VAL 63 HA VAL 63 -22.267 -11.170 1.238 394 HB VAL 63 HB VAL 63 -22.943 -10.413 3.428 395 HG11 VAL 63 HG11 VAL 63 -22.085 -7.607 2.612 396 HG12 VAL 63 HG12 VAL 63 -22.950 -8.058 4.085 397 HG13 VAL 63 HG13 VAL 63 -21.295 -8.618 3.852 398 HG21 VAL 63 HG21 VAL 63 -24.848 -9.098 2.874 399 HG22 VAL 63 HG22 VAL 63 -24.111 -8.514 1.377 400 HG23 VAL 63 HG23 VAL 63 -24.551 -10.235 1.551 401 H LYS 64 H LYS 64 -19.688 -8.965 1.025 402 HA LYS 64 HA LYS 64 -20.825 -7.447 -1.299 403 HB2 LYS 64 HB2 LYS 64 -19.943 -5.433 -0.248 404 HB3 LYS 64 HB3 LYS 64 -20.985 -6.259 0.891 405 HG2 LYS 64 HG2 LYS 64 -19.192 -6.899 2.283 406 HG3 LYS 64 HG3 LYS 64 -17.992 -6.749 0.998 407 HD2 LYS 64 HD2 LYS 64 -17.706 -4.937 2.531 408 HD3 LYS 64 HD3 LYS 64 -18.223 -4.335 0.956 409 HE2 LYS 64 HE2 LYS 64 -20.586 -4.168 1.843 410 HE3 LYS 64 HE3 LYS 64 -20.013 -4.755 3.408 411 HZ1 LYS 64 HZ1 LYS 64 -19.349 -2.164 2.120 412 HZ2 LYS 64 HZ2 LYS 64 -18.560 -2.722 3.473 413 HZ3 LYS 64 HZ3 LYS 64 -20.130 -2.405 3.544 414 HA PRO 65 HA PRO 65 -16.609 -7.680 -3.058 415 HB2 PRO 65 HB2 PRO 65 -16.041 -5.097 -3.790 416 HB3 PRO 65 HB3 PRO 65 -17.113 -6.204 -4.705 417 HG2 PRO 65 HG2 PRO 65 -17.951 -4.098 -2.692 418 HG3 PRO 65 HG3 PRO 65 -18.562 -4.345 -4.363 419 HD2 PRO 65 HD2 PRO 65 -19.898 -5.371 -2.296 420 HD3 PRO 65 HD3 PRO 65 -19.672 -6.358 -3.755 421 H PHE 66 H PHE 66 -15.384 -8.237 -1.408 422 HA PHE 66 HA PHE 66 -14.697 -6.736 0.900 423 HB2 PHE 66 HB2 PHE 66 -13.048 -8.926 -0.391 424 HB3 PHE 66 HB3 PHE 66 -13.055 -8.432 1.280 425 HD1 PHE 66 HD2 PHE 66 -16.133 -8.349 1.691 426 HD2 PHE 66 HD1 PHE 66 -13.512 -11.206 -0.189 427 HE1 PHE 66 HE2 PHE 66 -17.751 -10.143 2.183 428 HE2 PHE 66 HE1 PHE 66 -15.135 -13.021 0.328 429 HZ PHE 66 HZ PHE 66 -17.255 -12.490 1.504 430 H MET 67 H MET 67 -12.857 -7.291 -2.113 431 HA MET 67 HA MET 67 -10.917 -5.190 -1.640 432 HB2 MET 67 HB2 MET 67 -11.857 -6.714 -4.060 433 HB3 MET 67 HB3 MET 67 -10.866 -5.270 -4.262 434 HG2 MET 67 HG2 MET 67 -10.090 -7.618 -2.513 435 HG3 MET 67 HG3 MET 67 -9.560 -7.396 -4.183 436 HE1 MET 67 HE1 MET 67 -6.378 -6.837 -1.935 437 HE2 MET 67 HE2 MET 67 -7.713 -8.008 -1.850 438 HE3 MET 67 HE3 MET 67 -6.969 -7.636 -3.414 439 HA PRO 68 HA PRO 68 -14.255 -2.154 -2.019 440 HB2 PRO 68 HB2 PRO 68 -12.878 0.115 -1.286 441 HB3 PRO 68 HB3 PRO 68 -13.409 -1.142 -0.126 442 HG2 PRO 68 HG2 PRO 68 -10.691 -0.819 -1.431 443 HG3 PRO 68 HG3 PRO 68 -11.076 -1.103 0.300 444 HD2 PRO 68 HD2 PRO 68 -10.342 -3.109 -1.379 445 HD3 PRO 68 HD3 PRO 68 -11.542 -3.347 -0.075 446 H THR 69 H THR 69 -14.991 -0.699 -3.524 447 HA THR 69 HA THR 69 -13.517 -0.390 -6.032 448 HB THR 69 HB THR 69 -15.593 0.676 -6.819 449 HG1 THR 69 HG1 THR 69 -16.485 0.214 -4.158 450 HG21 THR 69 HG21 THR 69 -16.229 -1.847 -5.206 451 HG22 THR 69 HG22 THR 69 -15.525 -1.799 -6.839 452 HG23 THR 69 HG23 THR 69 -17.162 -1.182 -6.555 453 H ALA 70 H ALA 70 -13.560 1.778 -7.117 454 HA ALA 70 HA ALA 70 -11.614 3.282 -5.921 455 HB1 ALA 70 HB1 ALA 70 -13.594 4.203 -8.048 456 HB2 ALA 70 HB2 ALA 70 -12.028 4.967 -7.700 457 HB3 ALA 70 HB3 ALA 70 -12.081 3.306 -8.316 458 H ALA 71 H ALA 71 -15.092 4.278 -5.879 459 HA ALA 71 HA ALA 71 -14.540 6.677 -4.343 460 HB1 ALA 71 HB1 ALA 71 -16.503 6.380 -5.839 461 HB2 ALA 71 HB2 ALA 71 -17.133 5.146 -4.719 462 HB3 ALA 71 HB3 ALA 71 -16.974 6.834 -4.191 463 H GLU 72 H GLU 72 -14.967 3.319 -3.400 464 HA GLU 72 HA GLU 72 -15.571 3.823 -0.609 465 HB2 GLU 72 HB2 GLU 72 -14.660 1.302 -2.006 466 HB3 GLU 72 HB3 GLU 72 -15.172 1.447 -0.324 467 HG2 GLU 72 HG2 GLU 72 -17.387 2.244 -1.075 468 HG3 GLU 72 HG3 GLU 72 -16.907 2.076 -2.757 469 H ARG 73 H ARG 73 -12.710 2.773 -2.563 470 HA ARG 73 HA ARG 73 -10.750 2.980 -0.520 471 HB2 ARG 73 HB2 ARG 73 -10.492 3.657 -3.486 472 HB3 ARG 73 HB3 ARG 73 -9.139 3.529 -2.357 473 HG2 ARG 73 HG2 ARG 73 -9.740 1.160 -1.904 474 HG3 ARG 73 HG3 ARG 73 -11.061 1.282 -3.072 475 HD2 ARG 73 HD2 ARG 73 -9.341 0.275 -4.273 476 HD3 ARG 73 HD3 ARG 73 -9.289 1.950 -4.802 477 HE ARG 73 HE ARG 73 -7.346 0.484 -3.099 478 HH11 ARG 73 HH11 ARG 73 -7.874 3.474 -4.941 479 HH12 ARG 73 HH12 ARG 73 -6.300 4.082 -4.495 480 HH21 ARG 73 HH21 ARG 73 -5.456 1.281 -2.663 481 HH22 ARG 73 HH22 ARG 73 -4.894 2.799 -3.352 482 H ASP 74 H ASP 74 -12.149 5.560 -2.521 483 HA ASP 74 HA ASP 74 -10.590 7.692 -1.448 484 HB2 ASP 74 HB2 ASP 74 -12.007 7.709 -3.527 485 HB3 ASP 74 HB3 ASP 74 -13.435 7.825 -2.513 486 H GLU 75 H GLU 75 -13.975 6.669 -0.364 487 HA GLU 75 HA GLU 75 -13.890 8.520 1.822 488 HB2 GLU 75 HB2 GLU 75 -15.835 7.519 2.666 489 HB3 GLU 75 HB3 GLU 75 -15.989 7.552 0.919 490 HG2 GLU 75 HG2 GLU 75 -15.479 5.191 0.797 491 HG3 GLU 75 HG3 GLU 75 -15.195 5.064 2.520 492 H ILE 76 H ILE 76 -12.579 5.290 1.560 493 HA ILE 76 HA ILE 76 -12.136 4.846 4.399 494 HB ILE 76 HB ILE 76 -11.097 3.527 1.878 495 HG12 ILE 76 HG12 ILE 76 -12.968 2.338 3.969 496 HG13 ILE 76 HG13 ILE 76 -13.600 3.358 2.700 497 HG21 ILE 76 HG21 ILE 76 -10.624 2.734 4.782 498 HG22 ILE 76 HG22 ILE 76 -10.297 1.683 3.390 499 HG23 ILE 76 HG23 ILE 76 -9.394 3.190 3.583 500 HD11 ILE 76 HD11 ILE 76 -12.501 1.801 0.988 501 HD12 ILE 76 HD12 ILE 76 -12.246 0.681 2.347 502 HD13 ILE 76 HD13 ILE 76 -13.887 1.198 1.881 503 H LEU 77 H LEU 77 -9.931 5.814 1.685 504 HA LEU 77 HA LEU 77 -7.634 6.373 3.312 505 HB2 LEU 77 HB2 LEU 77 -8.659 7.439 0.658 506 HB3 LEU 77 HB3 LEU 77 -7.151 7.991 1.366 507 HG LEU 77 HG LEU 77 -7.723 5.058 0.765 508 HD11 LEU 77 HD11 LEU 77 -6.303 5.398 -1.217 509 HD12 LEU 77 HD12 LEU 77 -6.175 7.132 -0.818 510 HD13 LEU 77 HD13 LEU 77 -7.746 6.436 -1.262 511 HD21 LEU 77 HD21 LEU 77 -5.192 6.573 1.513 512 HD22 LEU 77 HD22 LEU 77 -5.202 4.895 0.910 513 HD23 LEU 77 HD23 LEU 77 -5.995 5.295 2.444 514 H ARG 78 H ARG 78 -10.456 8.323 2.501 515 HA ARG 78 HA ARG 78 -9.491 10.684 3.897 516 HB2 ARG 78 HB2 ARG 78 -12.169 9.915 2.714 517 HB3 ARG 78 HB3 ARG 78 -11.894 11.461 3.514 518 HG2 ARG 78 HG2 ARG 78 -10.185 12.119 1.944 519 HG3 ARG 78 HG3 ARG 78 -10.074 10.498 1.265 520 HD2 ARG 78 HD2 ARG 78 -11.235 11.812 -0.312 521 HD3 ARG 78 HD3 ARG 78 -12.394 10.686 0.409 522 HE ARG 78 HE ARG 78 -12.403 13.236 1.796 523 HH11 ARG 78 HH11 ARG 78 -13.455 11.834 -1.281 524 HH12 ARG 78 HH12 ARG 78 -14.742 13.038 -1.411 525 HH21 ARG 78 HH21 ARG 78 -14.254 14.543 1.558 526 HH22 ARG 78 HH22 ARG 78 -15.154 14.436 0.061 527 H ALA 79 H ALA 79 -11.440 7.899 4.900 528 HA ALA 79 HA ALA 79 -12.058 8.963 7.524 529 HB1 ALA 79 HB1 ALA 79 -12.593 6.630 8.083 530 HB2 ALA 79 HB2 ALA 79 -13.345 7.116 6.561 531 HB3 ALA 79 HB3 ALA 79 -11.897 6.080 6.550 532 H VAL 80 H VAL 80 -9.242 7.130 6.255 533 HA VAL 80 HA VAL 80 -7.812 7.074 8.803 534 HB VAL 80 HB VAL 80 -6.779 6.980 5.936 535 HG11 VAL 80 HG11 VAL 80 -5.001 7.624 7.543 536 HG12 VAL 80 HG12 VAL 80 -5.422 6.227 8.558 537 HG13 VAL 80 HG13 VAL 80 -4.750 5.989 6.932 538 HG21 VAL 80 HG21 VAL 80 -6.542 4.561 6.300 539 HG22 VAL 80 HG22 VAL 80 -7.277 4.708 7.913 540 HG23 VAL 80 HG23 VAL 80 -8.238 5.030 6.459 541 H GLY 81 H GLY 81 -7.874 9.189 5.937 542 HA2 GLY 81 HA2 GLY 81 -7.817 11.496 5.839 543 HA3 GLY 81 HA3 GLY 81 -7.332 11.589 7.536 544 H ASN 82 H ASN 82 -5.468 9.312 5.995 545 HA ASN 82 HA ASN 82 -3.428 10.985 4.787 546 HB2 ASN 82 HB2 ASN 82 -2.930 11.335 7.188 547 HB3 ASN 82 HB3 ASN 82 -2.934 9.590 7.470 548 HD21 ASN 82 HD21 ASN 82 -1.351 11.965 5.229 549 HD22 ASN 82 HD22 ASN 82 0.225 11.181 5.341 550 H MET 83 H MET 83 -1.652 9.574 3.928 551 HA MET 83 HA MET 83 -2.623 7.246 2.675 552 HB2 MET 83 HB2 MET 83 -0.806 8.889 1.933 553 HB3 MET 83 HB3 MET 83 0.252 8.154 3.125 554 HG2 MET 83 HG2 MET 83 0.911 6.925 1.373 555 HG3 MET 83 HG3 MET 83 -0.478 5.922 1.772 556 HE1 MET 83 HE1 MET 83 -2.591 5.727 0.377 557 HE2 MET 83 HE2 MET 83 -3.048 7.439 0.564 558 HE3 MET 83 HE3 MET 83 -3.012 6.709 -1.049 559 HA PRO 84 HA PRO 84 -1.892 4.656 6.323 560 HB2 PRO 84 HB2 PRO 84 -2.892 2.282 5.429 561 HB3 PRO 84 HB3 PRO 84 -3.935 3.669 5.855 562 HG2 PRO 84 HG2 PRO 84 -3.086 2.734 3.092 563 HG3 PRO 84 HG3 PRO 84 -4.669 3.338 3.648 564 HD2 PRO 84 HD2 PRO 84 -2.833 4.956 2.375 565 HD3 PRO 84 HD3 PRO 84 -4.044 5.562 3.544 566 H TYR 85 H TYR 85 -0.244 4.692 3.522 567 HA TYR 85 HA TYR 85 1.397 2.274 3.797 568 HB2 TYR 85 HB2 TYR 85 1.825 4.627 1.965 569 HB3 TYR 85 HB3 TYR 85 2.408 2.979 1.754 570 HD1 TYR 85 HD2 TYR 85 -0.518 1.766 2.507 571 HD2 TYR 85 HD1 TYR 85 0.946 4.711 -0.288 572 HE1 TYR 85 HE2 TYR 85 -2.543 1.464 1.108 573 HE2 TYR 85 HE1 TYR 85 -1.047 4.336 -1.722 574 HH TYR 85 HH TYR 85 -3.013 3.215 -1.980 Start of MODEL 4 1 H ASN 14 H1 ASN 14 -5.225 -3.525 -3.600 2 HA ASN 14 HA ASN 14 -3.612 -2.405 -4.774 3 HB2 ASN 14 HB2 ASN 14 -5.506 -0.976 -4.203 4 HB3 ASN 14 HB3 ASN 14 -4.738 -0.528 -2.669 5 HD21 ASN 14 HD21 ASN 14 -4.068 -0.355 -6.277 6 HD22 ASN 14 HD22 ASN 14 -3.213 1.175 -6.091 7 HA PRO 15 HA PRO 15 0.289 -2.270 -2.500 8 HB2 PRO 15 HB2 PRO 15 1.513 -2.273 -5.188 9 HB3 PRO 15 HB3 PRO 15 1.695 -3.462 -3.868 10 HG2 PRO 15 HG2 PRO 15 0.316 -3.997 -6.200 11 HG3 PRO 15 HG3 PRO 15 -0.108 -4.732 -4.622 12 HD2 PRO 15 HD2 PRO 15 -1.344 -2.328 -5.988 13 HD3 PRO 15 HD3 PRO 15 -2.141 -3.727 -5.200 14 H CYS 16 H CYS 16 2.217 -0.674 -2.754 15 HA CYS 16 HA CYS 16 1.076 1.961 -3.454 16 HB2 CYS 16 2HB CYS 16 3.122 1.029 -1.509 17 HB3 CYS 16 3HB CYS 16 3.212 2.671 -2.153 18 H LEU 17 H LEU 17 1.232 1.853 -5.705 19 HA LEU 17 HA LEU 17 3.614 1.258 -7.160 20 HB2 LEU 17 HB2 LEU 17 0.974 2.597 -7.808 21 HB3 LEU 17 HB3 LEU 17 2.277 2.599 -8.985 22 HG LEU 17 HG LEU 17 2.368 0.154 -9.010 23 HD11 LEU 17 HD11 LEU 17 -0.029 0.271 -7.130 24 HD12 LEU 17 HD12 LEU 17 1.562 -0.458 -6.789 25 HD13 LEU 17 HD13 LEU 17 0.511 -1.172 -8.013 26 HD21 LEU 17 HD21 LEU 17 -0.435 1.277 -9.440 27 HD22 LEU 17 HD22 LEU 17 0.230 -0.193 -10.182 28 HD23 LEU 17 HD23 LEU 17 0.919 1.384 -10.588 29 H SER 18 H SER 18 2.580 4.305 -5.713 30 HA SER 18 HA SER 18 4.436 6.043 -7.152 31 HB2 SER 18 HB2 SER 18 3.173 6.205 -4.419 32 HB3 SER 18 HB3 SER 18 3.978 7.569 -5.226 33 HG SER 18 HG SER 18 2.037 6.381 -6.788 34 H GLU 19 H GLU 19 4.532 4.222 -4.083 35 HA GLU 19 HA GLU 19 7.180 5.076 -3.262 36 HB2 GLU 19 HB2 GLU 19 5.189 3.983 -1.911 37 HB3 GLU 19 HB3 GLU 19 5.836 2.459 -2.500 38 HG2 GLU 19 HG2 GLU 19 6.809 2.733 -0.389 39 HG3 GLU 19 HG3 GLU 19 8.100 3.210 -1.494 40 H SER 20 H SER 20 5.828 2.449 -5.196 41 HA SER 20 HA SER 20 8.240 0.914 -5.557 42 HB2 SER 20 HB2 SER 20 5.866 1.220 -7.433 43 HB3 SER 20 HB3 SER 20 7.177 0.058 -7.634 44 HG SER 20 HG SER 20 5.465 -0.904 -6.632 45 H ASP 21 H ASP 21 6.960 3.725 -7.417 46 HA ASP 21 HA ASP 21 9.005 3.686 -9.420 47 HB2 ASP 21 HB2 ASP 21 6.903 4.956 -9.623 48 HB3 ASP 21 HB3 ASP 21 7.405 6.030 -8.315 49 H ALA 22 H ALA 22 8.869 5.477 -6.282 50 HA ALA 22 HA ALA 22 11.459 6.675 -6.675 51 HB1 ALA 22 HB1 ALA 22 11.139 7.477 -4.398 52 HB2 ALA 22 HB2 ALA 22 9.624 7.624 -5.298 53 HB3 ALA 22 HB3 ALA 22 9.824 6.303 -4.126 54 H SER 23 H SER 23 10.444 3.782 -4.798 55 HA SER 23 HA SER 23 12.919 2.755 -3.914 56 HB2 SER 23 HB2 SER 23 10.833 1.597 -3.473 57 HB3 SER 23 HB3 SER 23 10.504 1.402 -5.188 58 HG SER 23 HG SER 23 11.367 -0.482 -4.042 59 H THR 24 H THR 24 11.424 2.448 -7.160 60 HA THR 24 HA THR 24 13.635 1.079 -8.367 61 HB THR 24 HB THR 24 11.480 2.724 -9.744 62 HG1 THR 24 HG1 THR 24 10.488 1.195 -8.601 63 HG21 THR 24 HG21 THR 24 13.233 0.443 -10.750 64 HG22 THR 24 HG22 THR 24 13.338 2.147 -11.259 65 HG23 THR 24 HG23 THR 24 11.891 1.211 -11.636 66 H ARG 25 H ARG 25 12.970 4.615 -8.040 67 HA ARG 25 HA ARG 25 15.238 5.350 -9.697 68 HB2 ARG 25 HB2 ARG 25 13.954 7.048 -7.528 69 HB3 ARG 25 HB3 ARG 25 15.029 7.585 -8.810 70 HG2 ARG 25 HG2 ARG 25 12.139 6.819 -8.975 71 HG3 ARG 25 HG3 ARG 25 12.952 8.236 -9.596 72 HD2 ARG 25 HD2 ARG 25 13.915 6.991 -11.432 73 HD3 ARG 25 HD3 ARG 25 13.340 5.451 -10.765 74 HE ARG 25 HE ARG 25 10.984 6.397 -11.067 75 HH11 ARG 25 HH11 ARG 25 13.578 6.915 -13.467 76 HH12 ARG 25 HH12 ARG 25 12.342 7.088 -14.710 77 HH21 ARG 25 HH21 ARG 25 9.692 6.494 -12.694 78 HH22 ARG 25 HH22 ARG 25 10.301 6.844 -14.338 79 H CYS 26 H CYS 26 15.023 4.728 -6.189 80 HA CYS 26 HA CYS 26 17.806 5.259 -5.661 81 HB2 CYS 26 2HB CYS 26 16.341 4.976 -3.804 82 HB3 CYS 26 3HB CYS 26 15.804 3.386 -4.349 83 H LEU 27 H LEU 27 16.189 2.203 -6.569 84 HA LEU 27 HA LEU 27 18.578 0.610 -6.760 85 HB2 LEU 27 HB2 LEU 27 15.643 0.450 -7.437 86 HB3 LEU 27 HB3 LEU 27 16.703 -0.721 -8.200 87 HG LEU 27 HG LEU 27 17.457 -1.580 -6.281 88 HD11 LEU 27 HD11 LEU 27 16.186 0.487 -4.486 89 HD12 LEU 27 HD12 LEU 27 17.930 0.208 -4.727 90 HD13 LEU 27 HD13 LEU 27 16.960 -1.029 -3.954 91 HD21 LEU 27 HD21 LEU 27 15.038 -2.112 -6.866 92 HD22 LEU 27 HD22 LEU 27 14.537 -0.957 -5.624 93 HD23 LEU 27 HD23 LEU 27 15.419 -2.428 -5.160 94 H ASP 28 H ASP 28 17.015 2.556 -9.058 95 HA ASP 28 HA ASP 28 18.763 1.997 -11.321 96 HB2 ASP 28 HB2 ASP 28 16.599 2.926 -11.729 97 HB3 ASP 28 HB3 ASP 28 16.899 4.273 -10.623 98 H GLU 29 H GLU 29 18.951 4.465 -8.634 99 HA GLU 29 HA GLU 29 21.357 5.689 -9.600 100 HB2 GLU 29 HB2 GLU 29 19.577 5.799 -7.270 101 HB3 GLU 29 HB3 GLU 29 21.233 5.869 -6.748 102 HG2 GLU 29 HG2 GLU 29 20.014 7.606 -8.946 103 HG3 GLU 29 HG3 GLU 29 20.103 8.071 -7.254 104 H ASN 30 H ASN 30 20.912 2.906 -7.389 105 HA ASN 30 HA ASN 30 23.859 2.411 -7.429 106 HB2 ASN 30 HB2 ASN 30 23.487 1.759 -5.001 107 HB3 ASN 30 HB3 ASN 30 23.455 3.483 -5.360 108 HD21 ASN 30 HD21 ASN 30 20.838 1.075 -5.764 109 HD22 ASN 30 HD22 ASN 30 19.759 1.941 -4.709 110 H ASN 31 H ASN 31 24.530 0.267 -6.995 111 HA ASN 31 HA ASN 31 23.192 -1.696 -8.466 112 HB2 ASN 31 HB2 ASN 31 25.657 -1.397 -8.083 113 HB3 ASN 31 HB3 ASN 31 25.448 -2.021 -6.448 114 HD21 ASN 31 HD21 ASN 31 24.899 -2.868 -9.895 115 HD22 ASN 31 HD22 ASN 31 25.177 -4.594 -9.612 116 H TYR 32 H TYR 32 21.076 -1.827 -7.576 117 HA TYR 32 HA TYR 32 19.408 -2.334 -6.244 118 HB2 TYR 32 HB2 TYR 32 20.153 -4.493 -7.449 119 HB3 TYR 32 HB3 TYR 32 20.549 -5.079 -5.841 120 HD1 TYR 32 HD1 TYR 32 17.856 -3.854 -8.081 121 HD2 TYR 32 HD2 TYR 32 18.707 -5.574 -4.223 122 HE1 TYR 32 HE1 TYR 32 15.441 -4.310 -7.748 123 HE2 TYR 32 HE2 TYR 32 16.286 -6.043 -3.898 124 HH TYR 32 HH TYR 32 13.839 -4.964 -6.266 125 H ASP 33 H ASP 33 20.891 -0.771 -4.648 126 HA ASP 33 HA ASP 33 21.417 -2.123 -2.135 127 HB2 ASP 33 HB2 ASP 33 22.755 -0.190 -3.140 128 HB3 ASP 33 HB3 ASP 33 21.518 0.867 -2.451 129 H ARG 34 H ARG 34 18.970 -2.762 -2.485 130 HA ARG 34 HA ARG 34 17.052 -1.107 -1.074 131 HB2 ARG 34 HB2 ARG 34 16.820 -3.242 -2.758 132 HB3 ARG 34 HB3 ARG 34 16.627 -4.068 -1.216 133 HG2 ARG 34 HG2 ARG 34 14.805 -2.352 -0.652 134 HG3 ARG 34 HG3 ARG 34 15.056 -1.657 -2.254 135 HD2 ARG 34 HD2 ARG 34 13.144 -3.058 -2.432 136 HD3 ARG 34 HD3 ARG 34 14.463 -3.891 -3.264 137 HE ARG 34 HE ARG 34 14.086 -4.623 -0.423 138 HH11 ARG 34 HH11 ARG 34 13.167 -5.563 -3.735 139 HH12 ARG 34 HH12 ARG 34 12.799 -7.178 -3.185 140 HH21 ARG 34 HH21 ARG 34 13.505 -6.730 0.095 141 HH22 ARG 34 HH22 ARG 34 12.897 -7.755 -1.186 142 H GLU 35 H GLU 35 19.766 -2.186 0.147 143 HA GLU 35 HA GLU 35 18.781 -2.918 2.869 144 HB2 GLU 35 HB2 GLU 35 21.612 -2.702 1.784 145 HB3 GLU 35 HB3 GLU 35 21.154 -3.213 3.412 146 HG2 GLU 35 HG2 GLU 35 19.909 -5.141 2.469 147 HG3 GLU 35 HG3 GLU 35 20.365 -4.648 0.840 148 H ARG 36 H ARG 36 20.537 -0.282 1.134 149 HA ARG 36 HA ARG 36 20.170 1.625 3.375 150 HB2 ARG 36 HB2 ARG 36 21.142 1.787 0.509 151 HB3 ARG 36 HB3 ARG 36 20.638 3.254 1.335 152 HG2 ARG 36 HG2 ARG 36 23.077 2.859 1.447 153 HG3 ARG 36 HG3 ARG 36 22.305 3.050 3.025 154 HD2 ARG 36 HD2 ARG 36 22.419 0.670 3.457 155 HD3 ARG 36 HD3 ARG 36 22.971 0.342 1.818 156 HE ARG 36 HE ARG 36 24.530 1.651 3.999 157 HH11 ARG 36 HH11 ARG 36 24.658 0.169 0.742 158 HH12 ARG 36 HH12 ARG 36 26.365 -0.180 0.988 159 HH21 ARG 36 HH21 ARG 36 26.773 1.284 3.975 160 HH22 ARG 36 HH22 ARG 36 27.430 0.432 2.581 161 H CYS 37 H CYS 37 18.468 0.822 0.386 162 HA CYS 37 HA CYS 37 16.270 2.679 1.071 163 HB2 CYS 37 2HB CYS 37 16.977 1.163 -1.444 164 HB3 CYS 37 3HB CYS 37 15.516 2.140 -1.271 165 H SER 38 H SER 38 16.473 0.270 2.794 166 HA SER 38 HA SER 38 14.362 -1.585 2.024 167 HB2 SER 38 HB2 SER 38 15.264 -0.895 4.844 168 HB3 SER 38 HB3 SER 38 14.381 -2.326 4.301 169 HG SER 38 HG SER 38 16.488 -2.374 2.838 170 H THR 39 H THR 39 14.433 1.543 3.737 171 HA THR 39 HA THR 39 11.974 1.628 4.924 172 HB THR 39 HB THR 39 13.153 3.931 3.336 173 HG1 THR 39 HG1 THR 39 14.436 4.270 5.071 174 HG21 THR 39 HG21 THR 39 11.645 3.869 5.990 175 HG22 THR 39 HG22 THR 39 10.914 4.307 4.444 176 HG23 THR 39 HG23 THR 39 12.213 5.311 5.109 177 H TYR 40 H TYR 40 12.497 1.978 1.424 178 HA TYR 40 HA TYR 40 9.783 2.744 0.783 179 HB2 TYR 40 HB2 TYR 40 11.892 1.393 -0.949 180 HB3 TYR 40 HB3 TYR 40 10.391 2.138 -1.492 181 HD1 TYR 40 HD1 TYR 40 13.617 2.925 0.272 182 HD2 TYR 40 HD2 TYR 40 10.316 4.423 -2.074 183 HE1 TYR 40 HE1 TYR 40 14.784 5.089 0.027 184 HE2 TYR 40 HE2 TYR 40 11.513 6.583 -2.343 185 HH TYR 40 HH TYR 40 13.363 7.802 -1.866 186 H PHE 41 H PHE 41 11.518 -0.411 0.723 187 HA PHE 41 HA PHE 41 9.267 -2.032 -0.010 188 HB2 PHE 41 HB2 PHE 41 11.439 -2.973 -0.215 189 HB3 PHE 41 HB3 PHE 41 11.876 -2.567 1.437 190 HD1 PHE 41 HD1 PHE 41 9.167 -4.537 -0.324 191 HD2 PHE 41 HD2 PHE 41 11.964 -4.338 2.957 192 HE1 PHE 41 HE1 PHE 41 8.384 -6.747 0.486 193 HE2 PHE 41 HE2 PHE 41 11.152 -6.550 3.764 194 HZ PHE 41 HZ PHE 41 9.372 -7.752 2.528 195 H LEU 42 H LEU 42 10.426 -0.851 3.174 196 HA LEU 42 HA LEU 42 8.434 -2.197 4.695 197 HB2 LEU 42 HB2 LEU 42 10.420 -1.396 5.772 198 HB3 LEU 42 HB3 LEU 42 10.180 0.236 5.171 199 HG LEU 42 HG LEU 42 8.276 0.584 6.653 200 HD11 LEU 42 HD11 LEU 42 7.746 -1.029 8.440 201 HD12 LEU 42 HD12 LEU 42 8.877 -2.204 7.731 202 HD13 LEU 42 HD13 LEU 42 7.408 -1.709 6.850 203 HD21 LEU 42 HD21 LEU 42 10.727 -0.506 8.093 204 HD22 LEU 42 HD22 LEU 42 9.521 0.602 8.776 205 HD23 LEU 42 HD23 LEU 42 10.544 1.135 7.431 206 H ARG 43 H ARG 43 8.351 1.232 3.514 207 HA ARG 43 HA ARG 43 5.620 1.619 4.394 208 HB2 ARG 43 HB2 ARG 43 7.233 3.024 2.246 209 HB3 ARG 43 HB3 ARG 43 5.650 3.570 2.845 210 HG2 ARG 43 HG2 ARG 43 6.544 3.749 5.131 211 HG3 ARG 43 HG3 ARG 43 8.112 3.198 4.596 212 HD2 ARG 43 HD2 ARG 43 6.725 5.841 4.075 213 HD3 ARG 43 HD3 ARG 43 8.290 5.564 4.820 214 HE ARG 43 HE ARG 43 7.681 5.192 1.892 215 HH11 ARG 43 HH11 ARG 43 9.886 6.710 4.236 216 HH12 ARG 43 HH12 ARG 43 11.140 6.779 3.005 217 HH21 ARG 43 HH21 ARG 43 9.247 5.801 0.421 218 HH22 ARG 43 HH22 ARG 43 10.792 6.361 1.022 219 H TYR 44 H TYR 44 6.903 0.014 1.618 220 HA TYR 44 HA TYR 44 4.323 -0.140 0.197 221 HB2 TYR 44 HB2 TYR 44 6.311 -0.201 -1.106 222 HB3 TYR 44 HB3 TYR 44 6.975 -1.545 -0.186 223 HD1 TYR 44 HD1 TYR 44 5.949 -3.837 -0.386 224 HD2 TYR 44 HD2 TYR 44 4.966 -0.583 -3.047 225 HE1 TYR 44 HE1 TYR 44 5.113 -5.466 -2.080 226 HE2 TYR 44 HE2 TYR 44 4.146 -2.213 -4.736 227 HH TYR 44 HH TYR 44 3.902 -4.467 -5.290 228 H LYS 45 H LYS 45 6.189 -2.362 2.343 229 HA LYS 45 HA LYS 45 4.164 -4.409 2.386 230 HB2 LYS 45 HB2 LYS 45 6.543 -4.769 2.906 231 HB3 LYS 45 HB3 LYS 45 6.384 -3.802 4.380 232 HG2 LYS 45 HG2 LYS 45 4.843 -5.421 5.346 233 HG3 LYS 45 HG3 LYS 45 4.740 -6.314 3.814 234 HD2 LYS 45 HD2 LYS 45 7.073 -7.003 3.981 235 HD3 LYS 45 HD3 LYS 45 7.330 -5.937 5.364 236 HE2 LYS 45 HE2 LYS 45 7.129 -8.162 6.220 237 HE3 LYS 45 HE3 LYS 45 5.683 -7.268 6.692 238 HZ1 LYS 45 HZ1 LYS 45 5.839 -9.184 4.411 239 HZ2 LYS 45 HZ2 LYS 45 4.501 -8.366 4.834 240 HZ3 LYS 45 HZ3 LYS 45 5.137 -9.471 5.868 241 H ASN 46 H ASN 46 4.675 -1.556 4.503 242 HA ASN 46 HA ASN 46 2.467 -2.023 6.266 243 HB2 ASN 46 HB2 ASN 46 3.449 0.657 5.140 244 HB3 ASN 46 HB3 ASN 46 2.492 0.443 6.594 245 HD21 ASN 46 HD21 ASN 46 4.801 1.911 6.517 246 HD22 ASN 46 HD22 ASN 46 6.104 1.079 7.374 247 H CYS 47 H CYS 47 2.604 -0.430 3.057 248 HA CYS 47 HA CYS 47 -0.140 0.320 2.892 249 HB2 CYS 47 2HB CYS 47 1.636 1.306 1.624 250 HB3 CYS 47 3HB CYS 47 2.074 -0.210 0.878 251 H ARG 48 H ARG 48 1.562 -2.572 1.613 252 HA ARG 48 HA ARG 48 -0.708 -4.036 0.713 253 HB2 ARG 48 HB2 ARG 48 1.916 -4.969 1.987 254 HB3 ARG 48 HB3 ARG 48 0.785 -6.055 1.213 255 HG2 ARG 48 HG2 ARG 48 1.764 -3.710 -0.417 256 HG3 ARG 48 HG3 ARG 48 2.941 -4.956 -0.026 257 HD2 ARG 48 HD2 ARG 48 0.255 -5.507 -1.340 258 HD3 ARG 48 HD3 ARG 48 1.780 -5.302 -2.219 259 HE ARG 48 HE ARG 48 2.465 -7.270 -0.470 260 HH11 ARG 48 HH11 ARG 48 -0.451 -7.105 -2.498 261 HH12 ARG 48 HH12 ARG 48 -0.351 -8.817 -2.829 262 HH21 ARG 48 HH21 ARG 48 2.349 -9.506 -0.921 263 HH22 ARG 48 HH22 ARG 48 0.876 -10.073 -1.696 264 H ARG 49 H ARG 49 0.832 -4.180 3.957 265 HA ARG 49 HA ARG 49 -0.973 -6.064 5.072 266 HB2 ARG 49 HB2 ARG 49 1.275 -5.515 5.935 267 HB3 ARG 49 HB3 ARG 49 0.707 -3.917 6.442 268 HG2 ARG 49 HG2 ARG 49 -0.832 -4.961 8.066 269 HG3 ARG 49 HG3 ARG 49 -0.361 -6.578 7.494 270 HD2 ARG 49 HD2 ARG 49 1.966 -6.163 8.187 271 HD3 ARG 49 HD3 ARG 49 1.533 -4.534 8.740 272 HE ARG 49 HE ARG 49 -0.140 -5.818 10.295 273 HH11 ARG 49 HH11 ARG 49 3.161 -6.979 9.649 274 HH12 ARG 49 HH12 ARG 49 3.092 -7.963 11.101 275 HH21 ARG 49 HH21 ARG 49 -0.018 -6.992 12.044 276 HH22 ARG 49 HH22 ARG 49 1.419 -7.986 12.381 277 H PHE 50 H PHE 50 -1.110 -2.478 5.271 278 HA PHE 50 HA PHE 50 -3.504 -2.230 6.759 279 HB2 PHE 50 HB2 PHE 50 -2.073 -0.327 6.140 280 HB3 PHE 50 HB3 PHE 50 -2.430 -0.541 4.452 281 HD1 PHE 50 HD1 PHE 50 -4.099 0.194 7.744 282 HD2 PHE 50 HD2 PHE 50 -4.351 0.439 3.446 283 HE1 PHE 50 HE1 PHE 50 -6.194 1.517 7.935 284 HE2 PHE 50 HE2 PHE 50 -6.452 1.740 3.639 285 HZ PHE 50 HZ PHE 50 -7.378 2.275 5.885 286 H TRP 51 H TRP 51 -3.156 -2.166 3.182 287 HA TRP 51 HA TRP 51 -5.992 -2.205 2.814 288 HB2 TRP 51 HB2 TRP 51 -3.700 -2.677 0.905 289 HB3 TRP 51 HB3 TRP 51 -5.377 -2.770 0.415 290 HD1 TRP 51 HD1 TRP 51 -2.680 -0.241 0.746 291 HE1 TRP 51 HE1 TRP 51 -3.575 2.098 0.293 292 HE3 TRP 51 HE3 TRP 51 -7.700 -1.155 1.331 293 HZ2 TRP 51 HZ2 TRP 51 -6.065 3.480 0.511 294 HZ3 TRP 51 HZ3 TRP 51 -9.294 0.761 1.334 295 HH2 TRP 51 HH2 TRP 51 -8.490 3.072 0.948 296 H ASN 52 H ASN 52 -3.764 -4.951 3.156 297 HA ASN 52 HA ASN 52 -5.735 -6.987 2.563 298 HB2 ASN 52 HB2 ASN 52 -2.998 -6.847 3.840 299 HB3 ASN 52 HB3 ASN 52 -3.953 -8.261 4.104 300 HD21 ASN 52 HD21 ASN 52 -2.636 -6.221 1.497 301 HD22 ASN 52 HD22 ASN 52 -2.644 -7.496 0.281 302 H SER 53 H SER 53 -4.917 -5.192 5.590 303 HA SER 53 HA SER 53 -6.789 -6.645 7.236 304 HB2 SER 53 HB2 SER 53 -5.808 -3.779 7.517 305 HB3 SER 53 HB3 SER 53 -6.677 -4.704 8.742 306 HG SER 53 HG SER 53 -4.194 -4.529 8.611 307 H ILE 54 H ILE 54 -7.162 -3.697 5.179 308 HA ILE 54 HA ILE 54 -9.919 -3.249 5.838 309 HB ILE 54 HB ILE 54 -8.279 -2.629 3.355 310 HG12 ILE 54 HG12 ILE 54 -7.511 -1.457 5.369 311 HG13 ILE 54 HG13 ILE 54 -8.177 -0.367 4.180 312 HG21 ILE 54 HG21 ILE 54 -10.530 -2.651 2.568 313 HG22 ILE 54 HG22 ILE 54 -11.116 -1.766 3.996 314 HG23 ILE 54 HG23 ILE 54 -10.076 -0.962 2.802 315 HD11 ILE 54 HD11 ILE 54 -10.286 -0.197 5.518 316 HD12 ILE 54 HD12 ILE 54 -9.583 -1.301 6.724 317 HD13 ILE 54 HD13 ILE 54 -8.857 0.283 6.443 318 H VAL 55 H VAL 55 -8.435 -5.265 3.286 319 HA VAL 55 HA VAL 55 -10.812 -6.397 2.229 320 HB VAL 55 HB VAL 55 -7.985 -7.426 2.515 321 HG11 VAL 55 HG11 VAL 55 -9.271 -9.474 2.447 322 HG12 VAL 55 HG12 VAL 55 -10.271 -8.854 1.117 323 HG13 VAL 55 HG13 VAL 55 -8.554 -9.184 0.861 324 HG21 VAL 55 HG21 VAL 55 -9.629 -6.600 0.105 325 HG22 VAL 55 HG22 VAL 55 -8.514 -5.523 0.966 326 HG23 VAL 55 HG23 VAL 55 -7.896 -6.967 0.157 327 H MET 56 H MET 56 -8.895 -7.640 5.079 328 HA MET 56 HA MET 56 -10.797 -9.709 5.678 329 HB2 MET 56 HB2 MET 56 -8.768 -8.215 7.384 330 HB3 MET 56 HB3 MET 56 -9.787 -9.493 8.041 331 HG2 MET 56 HG2 MET 56 -7.909 -9.819 5.676 332 HG3 MET 56 HG3 MET 56 -7.544 -10.294 7.333 333 HE1 MET 56 HE1 MET 56 -6.842 -12.677 6.355 334 HE2 MET 56 HE2 MET 56 -7.929 -13.708 5.396 335 HE3 MET 56 HE3 MET 56 -7.326 -12.187 4.713 336 H GLN 57 H GLN 57 -10.863 -6.299 6.641 337 HA GLN 57 HA GLN 57 -13.170 -6.695 8.417 338 HB2 GLN 57 HB2 GLN 57 -11.981 -4.103 7.341 339 HB3 GLN 57 HB3 GLN 57 -13.185 -4.253 8.616 340 HG2 GLN 57 HG2 GLN 57 -10.251 -4.991 8.751 341 HG3 GLN 57 HG3 GLN 57 -11.125 -3.824 9.709 342 HE21 GLN 57 HE21 GLN 57 -9.710 -6.839 9.906 343 HE22 GLN 57 HE22 GLN 57 -10.733 -7.525 11.159 344 H ARG 58 H ARG 58 -12.803 -6.048 5.007 345 HA ARG 58 HA ARG 58 -15.695 -5.497 4.655 346 HB2 ARG 58 HB2 ARG 58 -13.375 -5.760 2.697 347 HB3 ARG 58 HB3 ARG 58 -15.044 -5.414 2.217 348 HG2 ARG 58 HG2 ARG 58 -15.059 -3.360 3.564 349 HG3 ARG 58 HG3 ARG 58 -13.450 -3.689 4.165 350 HD2 ARG 58 HD2 ARG 58 -12.958 -2.170 2.532 351 HD3 ARG 58 HD3 ARG 58 -12.697 -3.675 1.668 352 HE ARG 58 HE ARG 58 -14.456 -3.066 0.225 353 HH11 ARG 58 HH11 ARG 58 -14.678 -0.986 3.111 354 HH12 ARG 58 HH12 ARG 58 -16.031 -0.122 2.377 355 HH21 ARG 58 HH21 ARG 58 -16.098 -1.810 -0.528 356 HH22 ARG 58 HH22 ARG 58 -16.801 -0.564 0.534 357 H ARG 59 H ARG 59 -13.523 -8.205 4.314 358 HA ARG 59 HA ARG 59 -15.290 -9.953 2.911 359 HB2 ARG 59 HB2 ARG 59 -12.886 -10.244 2.983 360 HB3 ARG 59 HB3 ARG 59 -12.935 -10.625 4.710 361 HG2 ARG 59 HG2 ARG 59 -14.019 -12.703 4.328 362 HG3 ARG 59 HG3 ARG 59 -14.521 -12.253 2.691 363 HD2 ARG 59 HD2 ARG 59 -12.182 -12.278 1.936 364 HD3 ARG 59 HD3 ARG 59 -11.647 -12.752 3.559 365 HE ARG 59 HE ARG 59 -13.479 -14.711 2.955 366 HH11 ARG 59 HH11 ARG 59 -10.726 -13.543 1.019 367 HH12 ARG 59 HH12 ARG 59 -10.458 -15.159 0.407 368 HH21 ARG 59 HH21 ARG 59 -12.898 -16.700 2.125 369 HH22 ARG 59 HH22 ARG 59 -11.783 -16.756 0.763 370 H LYS 60 H LYS 60 -15.443 -9.060 6.263 371 HA LYS 60 HA LYS 60 -17.028 -11.104 7.327 372 HB2 LYS 60 HB2 LYS 60 -17.808 -9.570 8.874 373 HB3 LYS 60 HB3 LYS 60 -16.235 -8.925 8.394 374 HG2 LYS 60 HG2 LYS 60 -17.347 -7.234 6.971 375 HG3 LYS 60 HG3 LYS 60 -18.938 -7.904 7.398 376 HD2 LYS 60 HD2 LYS 60 -18.463 -7.485 9.795 377 HD3 LYS 60 HD3 LYS 60 -16.941 -6.683 9.323 378 HE2 LYS 60 HE2 LYS 60 -18.210 -5.023 8.027 379 HE3 LYS 60 HE3 LYS 60 -19.732 -5.843 8.408 380 HZ1 LYS 60 HZ1 LYS 60 -19.228 -3.890 9.817 381 HZ2 LYS 60 HZ2 LYS 60 -17.950 -4.674 10.484 382 HZ3 LYS 60 HZ3 LYS 60 -19.470 -5.261 10.706 383 H ASN 61 H ASN 61 -18.009 -8.900 4.790 384 HA ASN 61 HA ASN 61 -20.840 -9.583 4.926 385 HB2 ASN 61 HB2 ASN 61 -19.246 -8.136 2.767 386 HB3 ASN 61 HB3 ASN 61 -20.998 -8.213 2.917 387 HD21 ASN 61 HD21 ASN 61 -18.079 -6.821 4.306 388 HD22 ASN 61 HD22 ASN 61 -18.946 -5.474 5.038 389 H GLY 62 H GLY 62 -18.057 -10.991 3.317 390 HA2 GLY 62 HA2 GLY 62 -17.805 -12.888 2.072 391 HA3 GLY 62 HA3 GLY 62 -19.438 -13.319 2.567 392 H VAL 63 H VAL 63 -19.253 -10.426 0.691 393 HA VAL 63 HA VAL 63 -20.391 -11.873 -1.667 394 HB VAL 63 HB VAL 63 -22.110 -11.294 -0.124 395 HG11 VAL 63 HG11 VAL 63 -21.534 -8.323 -0.363 396 HG12 VAL 63 HG12 VAL 63 -22.634 -9.166 0.723 397 HG13 VAL 63 HG13 VAL 63 -20.895 -9.301 0.981 398 HG21 VAL 63 HG21 VAL 63 -22.589 -11.109 -2.523 399 HG22 VAL 63 HG22 VAL 63 -23.565 -9.980 -1.559 400 HG23 VAL 63 HG23 VAL 63 -22.177 -9.377 -2.480 401 H LYS 64 H LYS 64 -19.629 -8.484 -0.801 402 HA LYS 64 HA LYS 64 -19.293 -7.580 -3.471 403 HB2 LYS 64 HB2 LYS 64 -18.210 -5.593 -2.373 404 HB3 LYS 64 HB3 LYS 64 -19.774 -6.016 -1.699 405 HG2 LYS 64 HG2 LYS 64 -18.850 -6.784 0.328 406 HG3 LYS 64 HG3 LYS 64 -17.266 -7.087 -0.394 407 HD2 LYS 64 HD2 LYS 64 -17.230 -5.133 1.124 408 HD3 LYS 64 HD3 LYS 64 -16.727 -4.806 -0.523 409 HE2 LYS 64 HE2 LYS 64 -18.038 -2.932 0.054 410 HE3 LYS 64 HE3 LYS 64 -19.088 -3.898 -0.970 411 HZ1 LYS 64 HZ1 LYS 64 -19.193 -3.724 2.010 412 HZ2 LYS 64 HZ2 LYS 64 -20.149 -4.735 1.111 413 HZ3 LYS 64 HZ3 LYS 64 -20.274 -3.116 0.960 414 HA PRO 65 HA PRO 65 -14.843 -8.284 -4.286 415 HB2 PRO 65 HB2 PRO 65 -14.074 -5.863 -5.327 416 HB3 PRO 65 HB3 PRO 65 -14.982 -7.091 -6.268 417 HG2 PRO 65 HG2 PRO 65 -16.116 -4.680 -4.808 418 HG3 PRO 65 HG3 PRO 65 -16.423 -5.201 -6.496 419 HD2 PRO 65 HD2 PRO 65 -18.141 -5.856 -4.523 420 HD3 PRO 65 HD3 PRO 65 -17.735 -7.036 -5.794 421 H PHE 66 H PHE 66 -13.641 -8.361 -2.513 422 HA PHE 66 HA PHE 66 -14.041 -6.628 -0.238 423 HB2 PHE 66 HB2 PHE 66 -11.856 -8.676 -0.751 424 HB3 PHE 66 HB3 PHE 66 -12.358 -8.031 0.797 425 HD1 PHE 66 HD1 PHE 66 -15.357 -8.263 0.605 426 HD2 PHE 66 HD2 PHE 66 -12.244 -10.965 -0.649 427 HE1 PHE 66 HE1 PHE 66 -16.938 -10.159 0.772 428 HE2 PHE 66 HE2 PHE 66 -13.829 -12.873 -0.455 429 HZ PHE 66 HZ PHE 66 -16.174 -12.475 0.242 430 H MET 67 H MET 67 -11.384 -7.112 -2.536 431 HA MET 67 HA MET 67 -9.722 -4.913 -1.748 432 HB2 MET 67 HB2 MET 67 -10.157 -6.449 -4.318 433 HB3 MET 67 HB3 MET 67 -9.191 -4.974 -4.331 434 HG2 MET 67 HG2 MET 67 -8.651 -7.308 -2.474 435 HG3 MET 67 HG3 MET 67 -7.844 -7.047 -4.023 436 HE1 MET 67 HE1 MET 67 -5.430 -7.159 -2.742 437 HE2 MET 67 HE2 MET 67 -5.165 -6.281 -1.208 438 HE3 MET 67 HE3 MET 67 -6.422 -7.527 -1.324 439 HA PRO 68 HA PRO 68 -13.101 -2.119 -2.532 440 HB2 PRO 68 HB2 PRO 68 -12.011 0.250 -1.650 441 HB3 PRO 68 HB3 PRO 68 -12.590 -1.056 -0.572 442 HG2 PRO 68 HG2 PRO 68 -9.754 -0.500 -1.501 443 HG3 PRO 68 HG3 PRO 68 -10.342 -0.854 0.161 444 HD2 PRO 68 HD2 PRO 68 -9.259 -2.799 -1.398 445 HD3 PRO 68 HD3 PRO 68 -10.631 -3.126 -0.306 446 H THR 69 H THR 69 -13.842 -0.977 -4.224 447 HA THR 69 HA THR 69 -12.138 -0.433 -6.514 448 HB THR 69 HB THR 69 -14.208 0.366 -7.558 449 HG1 THR 69 HG1 THR 69 -15.425 -0.225 -5.067 450 HG21 THR 69 HG21 THR 69 -15.509 -1.681 -7.520 451 HG22 THR 69 HG22 THR 69 -14.740 -2.210 -6.005 452 HG23 THR 69 HG23 THR 69 -13.786 -2.089 -7.499 453 H ALA 70 H ALA 70 -12.343 1.764 -7.595 454 HA ALA 70 HA ALA 70 -10.625 3.389 -6.257 455 HB1 ALA 70 HB1 ALA 70 -12.591 4.300 -8.395 456 HB2 ALA 70 HB2 ALA 70 -11.050 5.077 -7.982 457 HB3 ALA 70 HB3 ALA 70 -11.058 3.447 -8.675 458 H ALA 71 H ALA 71 -14.176 4.106 -6.277 459 HA ALA 71 HA ALA 71 -13.860 6.451 -4.575 460 HB1 ALA 71 HB1 ALA 71 -16.333 4.886 -5.398 461 HB2 ALA 71 HB2 ALA 71 -16.305 6.514 -4.684 462 HB3 ALA 71 HB3 ALA 71 -15.618 6.251 -6.297 463 H GLU 72 H GLU 72 -14.249 3.048 -3.924 464 HA GLU 72 HA GLU 72 -15.256 3.281 -1.208 465 HB2 GLU 72 HB2 GLU 72 -13.992 0.944 -2.667 466 HB3 GLU 72 HB3 GLU 72 -14.747 0.897 -1.072 467 HG2 GLU 72 HG2 GLU 72 -16.874 1.629 -2.049 468 HG3 GLU 72 HG3 GLU 72 -16.169 1.693 -3.658 469 H ARG 73 H ARG 73 -12.177 2.497 -2.837 470 HA ARG 73 HA ARG 73 -10.339 2.664 -0.690 471 HB2 ARG 73 HB2 ARG 73 -9.984 1.891 -3.091 472 HB3 ARG 73 HB3 ARG 73 -9.994 3.591 -3.568 473 HG2 ARG 73 HG2 ARG 73 -8.003 3.970 -2.089 474 HG3 ARG 73 HG3 ARG 73 -7.973 2.226 -1.753 475 HD2 ARG 73 HD2 ARG 73 -7.610 1.697 -4.092 476 HD3 ARG 73 HD3 ARG 73 -7.834 3.376 -4.573 477 HE ARG 73 HE ARG 73 -5.390 2.175 -3.567 478 HH11 ARG 73 HH11 ARG 73 -7.024 5.275 -3.786 479 HH12 ARG 73 HH12 ARG 73 -5.526 6.148 -3.619 480 HH21 ARG 73 HH21 ARG 73 -3.602 3.277 -3.371 481 HH22 ARG 73 HH22 ARG 73 -3.628 5.023 -3.130 482 H ASP 74 H ASP 74 -11.686 5.293 -2.727 483 HA ASP 74 HA ASP 74 -10.237 7.368 -1.443 484 HB2 ASP 74 HB2 ASP 74 -11.399 7.504 -3.660 485 HB3 ASP 74 HB3 ASP 74 -12.943 7.595 -2.814 486 H GLU 75 H GLU 75 -13.664 6.267 -0.762 487 HA GLU 75 HA GLU 75 -14.000 8.110 1.412 488 HB2 GLU 75 HB2 GLU 75 -15.956 7.025 1.970 489 HB3 GLU 75 HB3 GLU 75 -15.895 7.007 0.219 490 HG2 GLU 75 HG2 GLU 75 -15.396 4.688 0.184 491 HG3 GLU 75 HG3 GLU 75 -15.067 4.589 1.903 492 H ILE 76 H ILE 76 -12.504 4.950 1.267 493 HA ILE 76 HA ILE 76 -12.342 4.510 4.121 494 HB ILE 76 HB ILE 76 -10.908 3.304 1.743 495 HG12 ILE 76 HG12 ILE 76 -12.885 1.897 3.585 496 HG13 ILE 76 HG13 ILE 76 -13.483 2.935 2.317 497 HG21 ILE 76 HG21 ILE 76 -10.719 2.575 4.691 498 HG22 ILE 76 HG22 ILE 76 -10.176 1.515 3.377 499 HG23 ILE 76 HG23 ILE 76 -9.398 3.088 3.617 500 HD11 ILE 76 HD11 ILE 76 -11.981 1.536 0.689 501 HD12 ILE 76 HD12 ILE 76 -12.000 0.339 2.004 502 HD13 ILE 76 HD13 ILE 76 -13.516 0.907 1.245 503 H LEU 77 H LEU 77 -9.965 5.785 1.692 504 HA LEU 77 HA LEU 77 -7.939 6.529 3.586 505 HB2 LEU 77 HB2 LEU 77 -8.798 7.574 0.877 506 HB3 LEU 77 HB3 LEU 77 -7.496 8.346 1.777 507 HG LEU 77 HG LEU 77 -7.470 5.374 1.113 508 HD11 LEU 77 HD11 LEU 77 -7.602 6.701 -0.939 509 HD12 LEU 77 HD12 LEU 77 -5.980 5.993 -0.752 510 HD13 LEU 77 HD13 LEU 77 -6.247 7.715 -0.388 511 HD21 LEU 77 HD21 LEU 77 -5.265 7.331 1.915 512 HD22 LEU 77 HD22 LEU 77 -5.016 5.636 1.455 513 HD23 LEU 77 HD23 LEU 77 -5.913 6.027 2.928 514 H ARG 78 H ARG 78 -10.886 8.183 2.547 515 HA ARG 78 HA ARG 78 -10.476 10.577 4.143 516 HB2 ARG 78 HB2 ARG 78 -12.969 9.376 2.898 517 HB3 ARG 78 HB3 ARG 78 -12.991 10.880 3.818 518 HG2 ARG 78 HG2 ARG 78 -11.546 11.998 2.272 519 HG3 ARG 78 HG3 ARG 78 -11.138 10.494 1.450 520 HD2 ARG 78 HD2 ARG 78 -13.494 10.275 0.671 521 HD3 ARG 78 HD3 ARG 78 -13.872 11.828 1.414 522 HE ARG 78 HE ARG 78 -12.393 11.319 -1.083 523 HH11 ARG 78 HH11 ARG 78 -13.456 13.875 1.120 524 HH12 ARG 78 HH12 ARG 78 -12.617 15.084 0.152 525 HH21 ARG 78 HH21 ARG 78 -11.391 13.064 -2.213 526 HH22 ARG 78 HH22 ARG 78 -11.701 14.678 -1.597 527 H ALA 79 H ALA 79 -12.008 7.449 4.845 528 HA ALA 79 HA ALA 79 -12.890 8.179 7.480 529 HB1 ALA 79 HB1 ALA 79 -12.303 5.423 6.320 530 HB2 ALA 79 HB2 ALA 79 -13.223 5.768 7.789 531 HB3 ALA 79 HB3 ALA 79 -13.849 6.291 6.219 532 H VAL 80 H VAL 80 -9.729 6.940 6.310 533 HA VAL 80 HA VAL 80 -8.636 6.671 9.014 534 HB VAL 80 HB VAL 80 -7.190 6.978 6.351 535 HG11 VAL 80 HG11 VAL 80 -6.233 5.954 9.063 536 HG12 VAL 80 HG12 VAL 80 -5.293 5.934 7.554 537 HG13 VAL 80 HG13 VAL 80 -5.730 7.473 8.288 538 HG21 VAL 80 HG21 VAL 80 -6.860 4.556 6.437 539 HG22 VAL 80 HG22 VAL 80 -7.819 4.442 7.928 540 HG23 VAL 80 HG23 VAL 80 -8.586 4.910 6.402 541 H GLY 81 H GLY 81 -8.570 9.170 6.459 542 HA2 GLY 81 HA2 GLY 81 -8.436 11.479 6.636 543 HA3 GLY 81 HA3 GLY 81 -8.175 11.344 8.380 544 H ASN 82 H ASN 82 -6.084 9.193 7.015 545 HA ASN 82 HA ASN 82 -3.866 11.016 6.494 546 HB2 ASN 82 HB2 ASN 82 -4.050 10.805 9.020 547 HB3 ASN 82 HB3 ASN 82 -3.857 9.058 8.850 548 HD21 ASN 82 HD21 ASN 82 -1.852 8.770 9.863 549 HD22 ASN 82 HD22 ASN 82 -0.398 9.541 9.267 550 H MET 83 H MET 83 -1.804 9.708 6.066 551 HA MET 83 HA MET 83 -2.343 7.645 4.108 552 HB2 MET 83 HB2 MET 83 -0.681 9.564 3.938 553 HB3 MET 83 HB3 MET 83 0.254 8.813 5.218 554 HG2 MET 83 HG2 MET 83 1.400 7.889 3.533 555 HG3 MET 83 HG3 MET 83 0.085 6.721 3.463 556 HE1 MET 83 HE1 MET 83 -2.330 8.548 2.050 557 HE2 MET 83 HE2 MET 83 -2.023 7.902 0.427 558 HE3 MET 83 HE3 MET 83 -1.891 6.836 1.841 559 HA PRO 84 HA PRO 84 -1.692 4.708 7.519 560 HB2 PRO 84 HB2 PRO 84 -2.478 2.378 6.336 561 HB3 PRO 84 HB3 PRO 84 -3.627 3.645 6.857 562 HG2 PRO 84 HG2 PRO 84 -2.661 3.024 4.064 563 HG3 PRO 84 HG3 PRO 84 -4.269 3.562 4.617 564 HD2 PRO 84 HD2 PRO 84 -2.338 5.280 3.552 565 HD3 PRO 84 HD3 PRO 84 -3.714 5.778 4.576 566 H TYR 85 H TYR 85 0.113 5.129 4.855 567 HA TYR 85 HA TYR 85 1.712 2.673 4.782 568 HB2 TYR 85 HB2 TYR 85 2.198 5.276 3.337 569 HB3 TYR 85 HB3 TYR 85 2.747 3.670 2.868 570 HD1 TYR 85 HD1 TYR 85 -0.250 2.486 3.393 571 HD2 TYR 85 HD2 TYR 85 1.431 5.715 1.089 572 HE1 TYR 85 HE1 TYR 85 -2.205 2.425 1.865 573 HE2 TYR 85 HE2 TYR 85 -0.525 5.661 -0.427 574 HH TYR 85 HH TYR 85 -2.544 4.742 -0.856 Start of MODEL 5 1 H ASN 14 H1 ASN 14 -2.225 -3.059 -1.167 2 HA ASN 14 HA ASN 14 -2.619 -3.950 -3.935 3 HB2 ASN 14 HB2 ASN 14 -2.173 -1.077 -2.991 4 HB3 ASN 14 HB3 ASN 14 -2.344 -1.630 -4.655 5 HD21 ASN 14 HD21 ASN 14 -4.092 -0.091 -4.956 6 HD22 ASN 14 HD22 ASN 14 -5.665 -0.419 -4.272 7 HA PRO 15 HA PRO 15 1.977 -3.361 -3.939 8 HB2 PRO 15 HB2 PRO 15 2.356 -2.847 -6.580 9 HB3 PRO 15 HB3 PRO 15 2.036 -4.509 -5.994 10 HG2 PRO 15 HG2 PRO 15 0.027 -2.524 -7.138 11 HG3 PRO 15 HG3 PRO 15 0.285 -4.233 -7.619 12 HD2 PRO 15 HD2 PRO 15 -1.652 -3.490 -5.853 13 HD3 PRO 15 HD3 PRO 15 -0.771 -5.032 -5.674 14 H CYS 16 H CYS 16 3.208 -1.361 -4.144 15 HA CYS 16 HA CYS 16 1.556 1.115 -4.536 16 HB2 CYS 16 2HB CYS 16 3.234 0.232 -2.287 17 HB3 CYS 16 3HB CYS 16 3.609 1.844 -2.875 18 H LEU 17 H LEU 17 1.989 1.905 -6.445 19 HA LEU 17 HA LEU 17 4.419 1.280 -7.854 20 HB2 LEU 17 HB2 LEU 17 1.975 2.971 -8.509 21 HB3 LEU 17 HB3 LEU 17 3.322 2.816 -9.608 22 HG LEU 17 HG LEU 17 1.543 1.375 -10.282 23 HD11 LEU 17 HD11 LEU 17 2.716 -0.710 -10.562 24 HD12 LEU 17 HD12 LEU 17 3.784 -0.371 -9.189 25 HD13 LEU 17 HD13 LEU 17 3.878 0.621 -10.666 26 HD21 LEU 17 HD21 LEU 17 0.711 -0.513 -9.066 27 HD22 LEU 17 HD22 LEU 17 0.496 0.929 -8.065 28 HD23 LEU 17 HD23 LEU 17 1.810 -0.223 -7.709 29 H SER 18 H SER 18 3.485 4.158 -6.035 30 HA SER 18 HA SER 18 5.557 5.890 -7.184 31 HB2 SER 18 HB2 SER 18 4.086 6.059 -4.569 32 HB3 SER 18 HB3 SER 18 5.005 7.375 -5.320 33 HG SER 18 HG SER 18 2.705 7.473 -5.623 34 H GLU 19 H GLU 19 5.194 3.993 -4.137 35 HA GLU 19 HA GLU 19 7.872 4.529 -3.177 36 HB2 GLU 19 HB2 GLU 19 6.279 1.985 -2.689 37 HB3 GLU 19 HB3 GLU 19 7.579 2.636 -1.703 38 HG2 GLU 19 HG2 GLU 19 4.776 3.748 -2.021 39 HG3 GLU 19 HG3 GLU 19 5.422 2.912 -0.622 40 H SER 20 H SER 20 6.490 2.143 -5.388 41 HA SER 20 HA SER 20 8.877 0.516 -5.672 42 HB2 SER 20 HB2 SER 20 6.598 0.888 -7.645 43 HB3 SER 20 HB3 SER 20 7.875 -0.337 -7.751 44 HG SER 20 HG SER 20 5.918 -0.013 -5.729 45 H ASP 21 H ASP 21 7.654 3.230 -7.719 46 HA ASP 21 HA ASP 21 9.826 3.248 -9.564 47 HB2 ASP 21 HB2 ASP 21 7.785 4.403 -10.026 48 HB3 ASP 21 HB3 ASP 21 7.904 5.356 -8.544 49 H ALA 22 H ALA 22 9.414 5.184 -6.525 50 HA ALA 22 HA ALA 22 11.944 6.486 -6.888 51 HB1 ALA 22 HB1 ALA 22 11.488 7.436 -4.679 52 HB2 ALA 22 HB2 ALA 22 10.082 7.519 -5.741 53 HB3 ALA 22 HB3 ALA 22 10.131 6.285 -4.463 54 H SER 23 H SER 23 11.092 3.574 -4.940 55 HA SER 23 HA SER 23 13.790 3.149 -4.006 56 HB2 SER 23 HB2 SER 23 13.165 0.758 -3.765 57 HB3 SER 23 HB3 SER 23 12.134 1.913 -2.936 58 HG SER 23 HG SER 23 10.556 1.647 -4.459 59 H THR 24 H THR 24 12.173 1.943 -7.012 60 HA THR 24 HA THR 24 14.393 0.484 -8.030 61 HB THR 24 HB THR 24 12.383 2.091 -9.666 62 HG1 THR 24 HG1 THR 24 11.327 0.690 -8.328 63 HG21 THR 24 HG21 THR 24 12.764 0.348 -11.379 64 HG22 THR 24 HG22 THR 24 14.023 -0.385 -10.365 65 HG23 THR 24 HG23 THR 24 14.254 1.241 -11.052 66 H ARG 25 H ARG 25 13.566 3.933 -8.414 67 HA ARG 25 HA ARG 25 15.868 4.751 -9.911 68 HB2 ARG 25 HB2 ARG 25 13.928 6.187 -8.073 69 HB3 ARG 25 HB3 ARG 25 15.242 7.031 -8.892 70 HG2 ARG 25 HG2 ARG 25 14.358 6.683 -11.038 71 HG3 ARG 25 HG3 ARG 25 13.341 5.330 -10.532 72 HD2 ARG 25 HD2 ARG 25 12.040 7.410 -10.995 73 HD3 ARG 25 HD3 ARG 25 11.822 6.736 -9.381 74 HE ARG 25 HE ARG 25 13.854 8.878 -9.622 75 HH11 ARG 25 HH11 ARG 25 10.498 8.230 -8.743 76 HH12 ARG 25 HH12 ARG 25 10.486 9.592 -7.635 77 HH21 ARG 25 HH21 ARG 25 13.768 10.448 -8.201 78 HH22 ARG 25 HH22 ARG 25 12.311 10.752 -7.258 79 H CYS 26 H CYS 26 15.375 4.685 -6.330 80 HA CYS 26 HA CYS 26 17.970 5.635 -5.622 81 HB2 CYS 26 2HB CYS 26 16.350 5.443 -3.890 82 HB3 CYS 26 3HB CYS 26 16.041 3.741 -4.240 83 H LEU 27 H LEU 27 16.879 2.267 -6.181 84 HA LEU 27 HA LEU 27 19.465 1.118 -5.623 85 HB2 LEU 27 HB2 LEU 27 16.773 0.213 -6.630 86 HB3 LEU 27 HB3 LEU 27 18.151 -0.829 -6.965 87 HG LEU 27 HG LEU 27 18.750 -1.008 -4.751 88 HD11 LEU 27 HD11 LEU 27 16.542 0.825 -3.816 89 HD12 LEU 27 HD12 LEU 27 18.296 1.112 -3.684 90 HD13 LEU 27 HD13 LEU 27 17.569 -0.198 -2.777 91 HD21 LEU 27 HD21 LEU 27 16.846 -2.436 -5.605 92 HD22 LEU 27 HD22 LEU 27 15.714 -1.308 -4.859 93 HD23 LEU 27 HD23 LEU 27 16.818 -2.255 -3.839 94 H ASP 28 H ASP 28 18.017 2.208 -8.530 95 HA ASP 28 HA ASP 28 20.262 1.574 -10.305 96 HB2 ASP 28 HB2 ASP 28 17.996 1.838 -11.165 97 HB3 ASP 28 HB3 ASP 28 17.933 3.506 -10.588 98 H GLU 29 H GLU 29 19.533 4.399 -8.261 99 HA GLU 29 HA GLU 29 21.547 6.187 -9.299 100 HB2 GLU 29 HB2 GLU 29 19.727 6.001 -6.951 101 HB3 GLU 29 HB3 GLU 29 21.184 6.852 -6.598 102 HG2 GLU 29 HG2 GLU 29 19.498 7.546 -9.038 103 HG3 GLU 29 HG3 GLU 29 19.044 8.093 -7.434 104 H ASN 30 H ASN 30 21.538 4.105 -6.389 105 HA ASN 30 HA ASN 30 24.492 4.441 -6.132 106 HB2 ASN 30 HB2 ASN 30 23.950 4.349 -3.656 107 HB3 ASN 30 HB3 ASN 30 23.435 5.792 -4.523 108 HD21 ASN 30 HD21 ASN 30 22.107 2.557 -3.935 109 HD22 ASN 30 HD22 ASN 30 20.426 3.127 -3.893 110 H ASN 31 H ASN 31 23.817 2.337 -7.667 111 HA ASN 31 HA ASN 31 24.097 0.120 -7.948 112 HB2 ASN 31 HB2 ASN 31 26.324 1.172 -7.583 113 HB3 ASN 31 HB3 ASN 31 26.263 0.655 -5.895 114 HD21 ASN 31 HD21 ASN 31 28.234 -0.583 -6.355 115 HD22 ASN 31 HD22 ASN 31 28.007 -2.189 -7.095 116 H TYR 32 H TYR 32 21.953 -0.175 -6.826 117 HA TYR 32 HA TYR 32 20.576 -1.479 -5.716 118 HB2 TYR 32 HB2 TYR 32 21.764 -3.085 -7.102 119 HB3 TYR 32 HB3 TYR 32 22.876 -3.435 -5.785 120 HD1 TYR 32 HD2 TYR 32 19.122 -3.031 -5.812 121 HD2 TYR 32 HD1 TYR 32 22.451 -5.696 -5.170 122 HE1 TYR 32 HE2 TYR 32 17.634 -4.562 -4.673 123 HE2 TYR 32 HE1 TYR 32 20.910 -7.331 -4.098 124 HH TYR 32 HH TYR 32 17.428 -6.675 -3.611 125 H ASP 33 H ASP 33 21.384 0.330 -3.888 126 HA ASP 33 HA ASP 33 22.292 -0.958 -1.479 127 HB2 ASP 33 HB2 ASP 33 22.819 1.423 -2.361 128 HB3 ASP 33 HB3 ASP 33 21.326 1.899 -1.544 129 H ARG 34 H ARG 34 20.370 -2.365 -1.813 130 HA ARG 34 HA ARG 34 17.719 -1.636 -1.193 131 HB2 ARG 34 HB2 ARG 34 17.181 -3.795 -1.640 132 HB3 ARG 34 HB3 ARG 34 18.728 -3.677 -2.434 133 HG2 ARG 34 HG2 ARG 34 18.127 -5.017 0.229 134 HG3 ARG 34 HG3 ARG 34 18.496 -5.806 -1.283 135 HD2 ARG 34 HD2 ARG 34 20.434 -4.154 0.380 136 HD3 ARG 34 HD3 ARG 34 20.359 -5.911 0.259 137 HE ARG 34 HE ARG 34 20.868 -4.362 -2.226 138 HH11 ARG 34 HH11 ARG 34 22.331 -6.502 0.214 139 HH12 ARG 34 HH12 ARG 34 23.821 -6.520 -0.714 140 HH21 ARG 34 HH21 ARG 34 22.803 -4.300 -3.065 141 HH22 ARG 34 HH22 ARG 34 24.072 -5.386 -2.484 142 H GLU 35 H GLU 35 20.141 -2.029 1.129 143 HA GLU 35 HA GLU 35 18.188 -2.561 3.347 144 HB2 GLU 35 HB2 GLU 35 21.213 -2.316 3.400 145 HB3 GLU 35 HB3 GLU 35 20.196 -2.544 4.809 146 HG2 GLU 35 HG2 GLU 35 19.365 -4.696 3.916 147 HG3 GLU 35 HG3 GLU 35 20.406 -4.515 2.506 148 H ARG 36 H ARG 36 19.836 0.097 1.824 149 HA ARG 36 HA ARG 36 19.170 1.972 4.072 150 HB2 ARG 36 HB2 ARG 36 20.731 2.317 1.483 151 HB3 ARG 36 HB3 ARG 36 20.217 3.663 2.490 152 HG2 ARG 36 HG2 ARG 36 22.504 3.171 2.993 153 HG3 ARG 36 HG3 ARG 36 21.513 2.803 4.402 154 HD2 ARG 36 HD2 ARG 36 21.702 0.428 4.002 155 HD3 ARG 36 HD3 ARG 36 22.426 0.681 2.420 156 HE ARG 36 HE ARG 36 23.703 0.905 5.064 157 HH11 ARG 36 HH11 ARG 36 24.249 1.554 1.606 158 HH12 ARG 36 HH12 ARG 36 25.987 1.527 1.877 159 HH21 ARG 36 HH21 ARG 36 25.878 0.701 5.138 160 HH22 ARG 36 HH22 ARG 36 26.834 1.079 3.694 161 H CYS 37 H CYS 37 18.203 1.136 0.778 162 HA CYS 37 HA CYS 37 15.856 2.960 1.043 163 HB2 CYS 37 2HB CYS 37 17.173 1.627 -1.301 164 HB3 CYS 37 3HB CYS 37 15.535 2.285 -1.424 165 H SER 38 H SER 38 15.973 0.525 2.723 166 HA SER 38 HA SER 38 13.837 -1.181 1.611 167 HB2 SER 38 HB2 SER 38 15.819 -1.799 3.326 168 HB3 SER 38 HB3 SER 38 14.551 -1.405 4.500 169 HG SER 38 HG SER 38 13.281 -3.022 3.669 170 H THR 39 H THR 39 14.016 1.776 3.369 171 HA THR 39 HA THR 39 11.633 1.992 4.827 172 HB THR 39 HB THR 39 11.679 4.397 3.942 173 HG1 THR 39 HG1 THR 39 13.661 4.854 2.777 174 HG21 THR 39 HG21 THR 39 12.904 3.759 5.982 175 HG22 THR 39 HG22 THR 39 13.785 4.981 5.051 176 HG23 THR 39 HG23 THR 39 14.302 3.283 4.988 177 H TYR 40 H TYR 40 12.021 2.665 1.368 178 HA TYR 40 HA TYR 40 9.341 2.924 0.574 179 HB2 TYR 40 HB2 TYR 40 11.608 1.577 -0.925 180 HB3 TYR 40 HB3 TYR 40 10.163 2.269 -1.650 181 HD1 TYR 40 HD1 TYR 40 13.341 3.087 0.150 182 HD2 TYR 40 HD2 TYR 40 10.065 4.601 -2.206 183 HE1 TYR 40 HE1 TYR 40 14.592 5.193 -0.217 184 HE2 TYR 40 HE2 TYR 40 11.326 6.701 -2.575 185 HH TYR 40 HH TYR 40 14.582 7.249 -1.166 186 H PHE 41 H PHE 41 11.291 -0.113 0.702 187 HA PHE 41 HA PHE 41 9.182 -1.798 -0.279 188 HB2 PHE 41 HB2 PHE 41 11.535 -2.353 -0.530 189 HB3 PHE 41 HB3 PHE 41 11.744 -2.416 1.216 190 HD1 PHE 41 HD2 PHE 41 9.227 -3.920 -1.200 191 HD2 PHE 41 HD1 PHE 41 12.123 -4.602 1.926 192 HE1 PHE 41 HE2 PHE 41 8.636 -6.330 -1.173 193 HE2 PHE 41 HE1 PHE 41 11.543 -7.014 1.929 194 HZ PHE 41 HZ PHE 41 9.785 -7.877 0.395 195 H LEU 42 H LEU 42 10.025 -0.663 2.936 196 HA LEU 42 HA LEU 42 8.189 -2.375 4.390 197 HB2 LEU 42 HB2 LEU 42 9.944 -1.471 5.676 198 HB3 LEU 42 HB3 LEU 42 9.796 0.120 4.966 199 HG LEU 42 HG LEU 42 7.725 0.549 6.232 200 HD11 LEU 42 HD11 LEU 42 8.319 -2.130 7.566 201 HD12 LEU 42 HD12 LEU 42 6.943 -1.772 6.504 202 HD13 LEU 42 HD13 LEU 42 7.077 -0.957 8.069 203 HD21 LEU 42 HD21 LEU 42 10.015 -0.410 7.987 204 HD22 LEU 42 HD22 LEU 42 8.781 0.792 8.409 205 HD23 LEU 42 HD23 LEU 42 9.959 1.161 7.141 206 H ARG 43 H ARG 43 7.918 1.033 3.248 207 HA ARG 43 HA ARG 43 5.110 1.270 3.781 208 HB2 ARG 43 HB2 ARG 43 6.837 2.620 1.681 209 HB3 ARG 43 HB3 ARG 43 5.183 3.105 2.109 210 HG2 ARG 43 HG2 ARG 43 5.902 3.407 4.479 211 HG3 ARG 43 HG3 ARG 43 7.538 3.022 4.058 212 HD2 ARG 43 HD2 ARG 43 5.854 5.388 3.147 213 HD3 ARG 43 HD3 ARG 43 7.251 5.452 4.200 214 HE ARG 43 HE ARG 43 7.211 5.153 1.231 215 HH11 ARG 43 HH11 ARG 43 9.280 5.444 4.057 216 HH12 ARG 43 HH12 ARG 43 10.539 6.214 3.127 217 HH21 ARG 43 HH21 ARG 43 8.839 5.780 0.123 218 HH22 ARG 43 HH22 ARG 43 10.342 6.326 0.883 219 H TYR 44 H TYR 44 6.742 -0.351 1.174 220 HA TYR 44 HA TYR 44 4.348 -0.731 -0.452 221 HB2 TYR 44 HB2 TYR 44 6.592 -0.662 -1.398 222 HB3 TYR 44 HB3 TYR 44 7.051 -2.083 -0.475 223 HD1 TYR 44 HD1 TYR 44 6.293 -4.309 -1.075 224 HD2 TYR 44 HD2 TYR 44 5.298 -0.854 -3.442 225 HE1 TYR 44 HE1 TYR 44 5.797 -5.776 -3.004 226 HE2 TYR 44 HE2 TYR 44 4.759 -2.351 -5.392 227 HH TYR 44 HH TYR 44 5.240 -5.893 -5.180 228 H LYS 45 H LYS 45 6.073 -2.863 1.953 229 HA LYS 45 HA LYS 45 3.992 -4.891 1.819 230 HB2 LYS 45 HB2 LYS 45 6.255 -5.365 2.649 231 HB3 LYS 45 HB3 LYS 45 5.972 -4.328 4.059 232 HG2 LYS 45 HG2 LYS 45 4.194 -5.774 4.851 233 HG3 LYS 45 HG3 LYS 45 4.204 -6.729 3.367 234 HD2 LYS 45 HD2 LYS 45 6.623 -6.574 5.205 235 HD3 LYS 45 HD3 LYS 45 5.301 -7.716 5.467 236 HE2 LYS 45 HE2 LYS 45 5.649 -8.764 3.315 237 HE3 LYS 45 HE3 LYS 45 6.880 -7.576 2.864 238 HZ1 LYS 45 HZ1 LYS 45 7.175 -9.358 5.226 239 HZ2 LYS 45 HZ2 LYS 45 8.339 -8.433 4.512 240 HZ3 LYS 45 HZ3 LYS 45 7.750 -9.737 3.733 241 H ASN 46 H ASN 46 4.306 -1.935 3.826 242 HA ASN 46 HA ASN 46 1.919 -2.304 5.342 243 HB2 ASN 46 HB2 ASN 46 2.975 0.337 4.258 244 HB3 ASN 46 HB3 ASN 46 1.918 0.117 5.637 245 HD21 ASN 46 HD21 ASN 46 4.181 1.651 5.805 246 HD22 ASN 46 HD22 ASN 46 5.421 0.817 6.724 247 H CYS 47 H CYS 47 2.364 -1.012 2.032 248 HA CYS 47 HA CYS 47 -0.337 -0.301 1.505 249 HB2 CYS 47 2HB CYS 47 1.784 0.380 0.363 250 HB3 CYS 47 3HB CYS 47 1.857 -1.193 -0.407 251 H ARG 48 H ARG 48 1.301 -3.420 1.226 252 HA ARG 48 HA ARG 48 -1.125 -4.816 0.272 253 HB2 ARG 48 HB2 ARG 48 1.241 -5.956 1.863 254 HB3 ARG 48 HB3 ARG 48 0.067 -6.888 0.975 255 HG2 ARG 48 HG2 ARG 48 2.015 -4.981 -0.405 256 HG3 ARG 48 HG3 ARG 48 2.431 -6.629 0.047 257 HD2 ARG 48 HD2 ARG 48 0.372 -7.390 -1.270 258 HD3 ARG 48 HD3 ARG 48 0.331 -5.743 -1.934 259 HE ARG 48 HE ARG 48 2.931 -7.133 -2.143 260 HH11 ARG 48 HH11 ARG 48 -0.153 -6.905 -3.824 261 HH12 ARG 48 HH12 ARG 48 0.617 -7.151 -5.383 262 HH21 ARG 48 HH21 ARG 48 3.739 -7.640 -4.026 263 HH22 ARG 48 HH22 ARG 48 2.772 -7.695 -5.488 264 H ARG 49 H ARG 49 0.436 -4.713 3.498 265 HA ARG 49 HA ARG 49 -1.516 -6.186 4.820 266 HB2 ARG 49 HB2 ARG 49 0.741 -5.505 5.679 267 HB3 ARG 49 HB3 ARG 49 0.090 -3.898 6.043 268 HG2 ARG 49 HG2 ARG 49 -1.622 -4.973 7.555 269 HG3 ARG 49 HG3 ARG 49 -0.902 -6.548 7.191 270 HD2 ARG 49 HD2 ARG 49 0.390 -4.226 8.666 271 HD3 ARG 49 HD3 ARG 49 -0.168 -5.749 9.347 272 HE ARG 49 HE ARG 49 1.625 -6.935 8.281 273 HH11 ARG 49 HH11 ARG 49 2.050 -3.414 7.868 274 HH12 ARG 49 HH12 ARG 49 3.748 -3.669 7.535 275 HH21 ARG 49 HH21 ARG 49 3.680 -7.064 7.835 276 HH22 ARG 49 HH22 ARG 49 4.643 -5.597 7.539 277 H PHE 50 H PHE 50 -1.555 -2.620 4.429 278 HA PHE 50 HA PHE 50 -3.856 -2.113 6.016 279 HB2 PHE 50 HB2 PHE 50 -2.280 -0.400 5.096 280 HB3 PHE 50 HB3 PHE 50 -2.892 -0.672 3.494 281 HD1 PHE 50 HD1 PHE 50 -3.846 0.584 6.888 282 HD2 PHE 50 HD2 PHE 50 -5.012 0.229 2.754 283 HE1 PHE 50 HE1 PHE 50 -5.774 2.089 7.293 284 HE2 PHE 50 HE2 PHE 50 -6.954 1.706 3.167 285 HZ PHE 50 HZ PHE 50 -7.350 2.626 5.446 286 H TRP 51 H TRP 51 -3.610 -2.558 2.465 287 HA TRP 51 HA TRP 51 -6.513 -2.371 2.203 288 HB2 TRP 51 HB2 TRP 51 -4.292 -2.978 0.260 289 HB3 TRP 51 HB3 TRP 51 -5.967 -3.042 -0.203 290 HD1 TRP 51 HD1 TRP 51 -3.190 -0.568 0.156 291 HE1 TRP 51 HE1 TRP 51 -4.012 1.805 -0.216 292 HE3 TRP 51 HE3 TRP 51 -8.251 -1.324 0.713 293 HZ2 TRP 51 HZ2 TRP 51 -6.437 3.260 0.016 294 HZ3 TRP 51 HZ3 TRP 51 -9.758 0.656 0.842 295 HH2 TRP 51 HH2 TRP 51 -8.871 2.946 0.484 296 H ASN 52 H ASN 52 -4.272 -5.104 2.469 297 HA ASN 52 HA ASN 52 -6.213 -7.185 2.219 298 HB2 ASN 52 HB2 ASN 52 -3.525 -6.846 3.614 299 HB3 ASN 52 HB3 ASN 52 -4.425 -8.324 3.707 300 HD21 ASN 52 HD21 ASN 52 -1.934 -8.490 2.579 301 HD22 ASN 52 HD22 ASN 52 -2.114 -8.732 0.847 302 H SER 53 H SER 53 -5.353 -5.110 5.056 303 HA SER 53 HA SER 53 -7.120 -6.436 6.896 304 HB2 SER 53 HB2 SER 53 -5.452 -4.936 7.768 305 HB3 SER 53 HB3 SER 53 -6.084 -3.582 6.830 306 HG SER 53 HG SER 53 -7.159 -4.836 9.092 307 H ILE 54 H ILE 54 -7.687 -3.635 4.657 308 HA ILE 54 HA ILE 54 -10.429 -3.238 5.376 309 HB ILE 54 HB ILE 54 -9.009 -2.782 2.722 310 HG12 ILE 54 HG12 ILE 54 -7.960 -1.481 4.488 311 HG13 ILE 54 HG13 ILE 54 -8.823 -0.446 3.389 312 HG21 ILE 54 HG21 ILE 54 -10.830 -1.127 2.265 313 HG22 ILE 54 HG22 ILE 54 -11.360 -2.807 2.244 314 HG23 ILE 54 HG23 ILE 54 -11.726 -1.788 3.653 315 HD11 ILE 54 HD11 ILE 54 -9.107 0.303 5.694 316 HD12 ILE 54 HD12 ILE 54 -10.676 -0.239 5.075 317 HD13 ILE 54 HD13 ILE 54 -9.738 -1.277 6.175 318 H VAL 55 H VAL 55 -8.984 -5.425 2.950 319 HA VAL 55 HA VAL 55 -11.391 -6.637 2.035 320 HB VAL 55 HB VAL 55 -8.520 -7.572 2.210 321 HG11 VAL 55 HG11 VAL 55 -9.059 -9.416 0.673 322 HG12 VAL 55 HG12 VAL 55 -9.785 -9.656 2.260 323 HG13 VAL 55 HG13 VAL 55 -10.790 -9.111 0.901 324 HG21 VAL 55 HG21 VAL 55 -9.146 -5.739 0.627 325 HG22 VAL 55 HG22 VAL 55 -8.541 -7.193 -0.172 326 HG23 VAL 55 HG23 VAL 55 -10.286 -6.848 -0.158 327 H MET 56 H MET 56 -9.274 -7.693 4.797 328 HA MET 56 HA MET 56 -10.941 -9.901 5.546 329 HB2 MET 56 HB2 MET 56 -9.021 -8.181 7.175 330 HB3 MET 56 HB3 MET 56 -9.797 -9.634 7.799 331 HG2 MET 56 HG2 MET 56 -8.027 -9.564 5.341 332 HG3 MET 56 HG3 MET 56 -7.456 -9.976 6.946 333 HE1 MET 56 HE1 MET 56 -8.789 -13.482 7.614 334 HE2 MET 56 HE2 MET 56 -7.665 -12.187 8.070 335 HE3 MET 56 HE3 MET 56 -9.419 -11.950 8.254 336 H GLN 57 H GLN 57 -11.110 -6.478 6.568 337 HA GLN 57 HA GLN 57 -13.235 -6.944 8.497 338 HB2 GLN 57 HB2 GLN 57 -12.406 -4.388 7.067 339 HB3 GLN 57 HB3 GLN 57 -13.555 -4.484 8.400 340 HG2 GLN 57 HG2 GLN 57 -10.580 -5.105 8.522 341 HG3 GLN 57 HG3 GLN 57 -11.400 -3.736 9.234 342 HE21 GLN 57 HE21 GLN 57 -9.834 -6.312 10.241 343 HE22 GLN 57 HE22 GLN 57 -10.842 -6.833 11.577 344 H ARG 58 H ARG 58 -13.266 -5.973 5.019 345 HA ARG 58 HA ARG 58 -16.168 -5.891 4.893 346 HB2 ARG 58 HB2 ARG 58 -13.912 -5.869 2.859 347 HB3 ARG 58 HB3 ARG 58 -15.588 -6.035 2.332 348 HG2 ARG 58 HG2 ARG 58 -16.248 -4.009 3.457 349 HG3 ARG 58 HG3 ARG 58 -14.642 -3.787 4.162 350 HD2 ARG 58 HD2 ARG 58 -13.733 -2.960 2.229 351 HD3 ARG 58 HD3 ARG 58 -14.694 -4.017 1.201 352 HE ARG 58 HE ARG 58 -16.177 -2.378 0.854 353 HH11 ARG 58 HH11 ARG 58 -14.749 -1.455 3.986 354 HH12 ARG 58 HH12 ARG 58 -15.399 0.150 3.862 355 HH21 ARG 58 HH21 ARG 58 -17.154 -0.408 0.952 356 HH22 ARG 58 HH22 ARG 58 -16.735 0.725 2.211 357 H ARG 59 H ARG 59 -13.887 -8.483 4.501 358 HA ARG 59 HA ARG 59 -15.681 -10.406 3.345 359 HB2 ARG 59 HB2 ARG 59 -13.202 -10.500 3.289 360 HB3 ARG 59 HB3 ARG 59 -13.175 -10.900 5.013 361 HG2 ARG 59 HG2 ARG 59 -14.367 -12.997 4.550 362 HG3 ARG 59 HG3 ARG 59 -14.598 -12.523 2.865 363 HD2 ARG 59 HD2 ARG 59 -12.819 -13.979 2.690 364 HD3 ARG 59 HD3 ARG 59 -11.996 -12.416 2.732 365 HE ARG 59 HE ARG 59 -12.239 -13.481 5.402 366 HH11 ARG 59 HH11 ARG 59 -10.286 -14.021 2.509 367 HH12 ARG 59 HH12 ARG 59 -9.026 -14.762 3.489 368 HH21 ARG 59 HH21 ARG 59 -10.763 -14.635 6.409 369 HH22 ARG 59 HH22 ARG 59 -9.470 -15.431 5.531 370 H LYS 60 H LYS 60 -15.503 -9.290 6.632 371 HA LYS 60 HA LYS 60 -16.812 -11.269 8.081 372 HB2 LYS 60 HB2 LYS 60 -17.563 -9.622 9.534 373 HB3 LYS 60 HB3 LYS 60 -16.126 -8.903 8.810 374 HG2 LYS 60 HG2 LYS 60 -17.649 -7.630 7.237 375 HG3 LYS 60 HG3 LYS 60 -19.041 -8.297 8.109 376 HD2 LYS 60 HD2 LYS 60 -18.244 -7.263 10.203 377 HD3 LYS 60 HD3 LYS 60 -16.890 -6.531 9.311 378 HE2 LYS 60 HE2 LYS 60 -18.465 -5.321 7.850 379 HE3 LYS 60 HE3 LYS 60 -19.838 -6.113 8.648 380 HZ1 LYS 60 HZ1 LYS 60 -19.141 -5.031 10.720 381 HZ2 LYS 60 HZ2 LYS 60 -19.543 -3.931 9.577 382 HZ3 LYS 60 HZ3 LYS 60 -17.954 -4.219 9.943 383 H ASN 61 H ASN 61 -18.294 -9.282 5.550 384 HA ASN 61 HA ASN 61 -20.982 -10.145 6.154 385 HB2 ASN 61 HB2 ASN 61 -19.961 -8.798 3.637 386 HB3 ASN 61 HB3 ASN 61 -21.626 -8.900 4.218 387 HD21 ASN 61 HD21 ASN 61 -18.513 -7.369 4.706 388 HD22 ASN 61 HD22 ASN 61 -19.192 -5.999 5.580 389 H GLY 62 H GLY 62 -18.428 -11.386 4.100 390 HA2 GLY 62 HA2 GLY 62 -18.179 -13.303 2.896 391 HA3 GLY 62 HA3 GLY 62 -19.684 -13.879 3.601 392 H VAL 63 H VAL 63 -19.953 -10.967 1.750 393 HA VAL 63 HA VAL 63 -21.363 -12.468 -0.403 394 HB VAL 63 HB VAL 63 -22.790 -11.886 1.473 395 HG11 VAL 63 HG11 VAL 63 -23.358 -9.673 2.118 396 HG12 VAL 63 HG12 VAL 63 -21.598 -9.793 2.188 397 HG13 VAL 63 HG13 VAL 63 -22.394 -8.950 0.834 398 HG21 VAL 63 HG21 VAL 63 -23.434 -10.236 -0.991 399 HG22 VAL 63 HG22 VAL 63 -23.714 -11.986 -0.788 400 HG23 VAL 63 HG23 VAL 63 -24.579 -10.826 0.236 401 H LYS 64 H LYS 64 -20.214 -9.182 0.407 402 HA LYS 64 HA LYS 64 -20.499 -8.106 -2.251 403 HB2 LYS 64 HB2 LYS 64 -19.318 -6.132 -1.212 404 HB3 LYS 64 HB3 LYS 64 -20.764 -6.641 -0.362 405 HG2 LYS 64 HG2 LYS 64 -19.572 -7.429 1.491 406 HG3 LYS 64 HG3 LYS 64 -18.104 -7.726 0.570 407 HD2 LYS 64 HD2 LYS 64 -17.914 -5.817 2.169 408 HD3 LYS 64 HD3 LYS 64 -17.500 -5.459 0.501 409 HE2 LYS 64 HE2 LYS 64 -18.677 -3.576 1.192 410 HE3 LYS 64 HE3 LYS 64 -19.841 -4.467 0.224 411 HZ1 LYS 64 HZ1 LYS 64 -20.788 -5.319 2.338 412 HZ2 LYS 64 HZ2 LYS 64 -20.852 -3.691 2.257 413 HZ3 LYS 64 HZ3 LYS 64 -19.718 -4.388 3.199 414 HA PRO 65 HA PRO 65 -16.160 -8.477 -3.665 415 HB2 PRO 65 HB2 PRO 65 -15.673 -6.046 -4.792 416 HB3 PRO 65 HB3 PRO 65 -16.655 -7.316 -5.593 417 HG2 PRO 65 HG2 PRO 65 -17.654 -4.945 -3.981 418 HG3 PRO 65 HG3 PRO 65 -18.196 -5.491 -5.601 419 HD2 PRO 65 HD2 PRO 65 -19.536 -6.181 -3.348 420 HD3 PRO 65 HD3 PRO 65 -19.358 -7.325 -4.705 421 H PHE 66 H PHE 66 -14.504 -8.286 -2.365 422 HA PHE 66 HA PHE 66 -14.691 -6.707 0.110 423 HB2 PHE 66 HB2 PHE 66 -12.542 -8.608 -0.887 424 HB3 PHE 66 HB3 PHE 66 -12.785 -8.052 0.749 425 HD1 PHE 66 HD2 PHE 66 -15.810 -8.485 1.003 426 HD2 PHE 66 HD1 PHE 66 -12.738 -10.926 -0.774 427 HE1 PHE 66 HE2 PHE 66 -17.249 -10.485 1.262 428 HE2 PHE 66 HE1 PHE 66 -14.155 -12.939 -0.453 429 HZ PHE 66 HZ PHE 66 -16.424 -12.723 0.537 430 H MET 67 H MET 67 -12.620 -6.965 -2.710 431 HA MET 67 HA MET 67 -10.888 -4.744 -2.162 432 HB2 MET 67 HB2 MET 67 -11.660 -6.247 -4.669 433 HB3 MET 67 HB3 MET 67 -10.685 -4.781 -4.753 434 HG2 MET 67 HG2 MET 67 -9.975 -7.245 -3.121 435 HG3 MET 67 HG3 MET 67 -9.274 -6.796 -4.680 436 HE1 MET 67 HE1 MET 67 -7.510 -7.483 -2.161 437 HE2 MET 67 HE2 MET 67 -6.731 -6.913 -3.659 438 HE3 MET 67 HE3 MET 67 -6.324 -6.153 -2.098 439 HA PRO 68 HA PRO 68 -14.342 -1.966 -2.362 440 HB2 PRO 68 HB2 PRO 68 -13.124 0.396 -1.639 441 HB3 PRO 68 HB3 PRO 68 -13.428 -0.961 -0.510 442 HG2 PRO 68 HG2 PRO 68 -10.882 -0.316 -2.040 443 HG3 PRO 68 HG3 PRO 68 -11.074 -0.697 -0.294 444 HD2 PRO 68 HD2 PRO 68 -10.337 -2.611 -2.074 445 HD3 PRO 68 HD3 PRO 68 -11.443 -2.971 -0.718 446 H THR 69 H THR 69 -15.334 -0.325 -3.519 447 HA THR 69 HA THR 69 -14.293 0.280 -6.192 448 HB THR 69 HB THR 69 -16.499 1.267 -6.572 449 HG1 THR 69 HG1 THR 69 -17.095 0.464 -3.913 450 HG21 THR 69 HG21 THR 69 -17.883 -0.719 -6.365 451 HG22 THR 69 HG22 THR 69 -16.782 -1.441 -5.178 452 HG23 THR 69 HG23 THR 69 -16.251 -1.192 -6.856 453 H ALA 70 H ALA 70 -14.457 2.491 -7.037 454 HA ALA 70 HA ALA 70 -12.490 3.994 -5.967 455 HB1 ALA 70 HB1 ALA 70 -13.219 5.835 -7.447 456 HB2 ALA 70 HB2 ALA 70 -13.325 4.259 -8.247 457 HB3 ALA 70 HB3 ALA 70 -14.800 5.052 -7.647 458 H ALA 71 H ALA 71 -15.966 4.848 -5.282 459 HA ALA 71 HA ALA 71 -15.168 7.075 -3.613 460 HB1 ALA 71 HB1 ALA 71 -17.851 5.661 -3.806 461 HB2 ALA 71 HB2 ALA 71 -17.546 7.257 -3.101 462 HB3 ALA 71 HB3 ALA 71 -17.313 7.007 -4.836 463 H GLU 72 H GLU 72 -15.619 3.675 -2.907 464 HA GLU 72 HA GLU 72 -15.825 3.888 -0.018 465 HB2 GLU 72 HB2 GLU 72 -15.042 1.553 -1.802 466 HB3 GLU 72 HB3 GLU 72 -15.370 1.480 -0.076 467 HG2 GLU 72 HG2 GLU 72 -17.703 2.201 -0.506 468 HG3 GLU 72 HG3 GLU 72 -17.378 2.267 -2.232 469 H ARG 73 H ARG 73 -13.299 2.961 -2.395 470 HA ARG 73 HA ARG 73 -11.010 2.867 -0.757 471 HB2 ARG 73 HB2 ARG 73 -11.349 2.249 -3.202 472 HB3 ARG 73 HB3 ARG 73 -11.250 3.958 -3.598 473 HG2 ARG 73 HG2 ARG 73 -9.008 2.320 -2.343 474 HG3 ARG 73 HG3 ARG 73 -9.219 2.648 -4.062 475 HD2 ARG 73 HD2 ARG 73 -9.235 5.194 -3.257 476 HD3 ARG 73 HD3 ARG 73 -8.377 4.519 -1.871 477 HE ARG 73 HE ARG 73 -6.680 3.624 -3.399 478 HH11 ARG 73 HH11 ARG 73 -8.780 6.036 -4.980 479 HH12 ARG 73 HH12 ARG 73 -7.482 6.436 -6.094 480 HH21 ARG 73 HH21 ARG 73 -5.311 4.035 -5.046 481 HH22 ARG 73 HH22 ARG 73 -5.742 5.166 -6.300 482 H ASP 74 H ASP 74 -12.447 5.726 -2.338 483 HA ASP 74 HA ASP 74 -10.550 7.618 -1.380 484 HB2 ASP 74 HB2 ASP 74 -12.087 7.992 -3.270 485 HB3 ASP 74 HB3 ASP 74 -13.465 7.968 -2.180 486 H GLU 75 H GLU 75 -13.854 6.801 -0.022 487 HA GLU 75 HA GLU 75 -13.492 8.604 2.188 488 HB2 GLU 75 HB2 GLU 75 -15.449 7.811 3.081 489 HB3 GLU 75 HB3 GLU 75 -15.704 7.834 1.348 490 HG2 GLU 75 HG2 GLU 75 -15.416 5.412 1.261 491 HG3 GLU 75 HG3 GLU 75 -15.055 5.307 2.966 492 H ILE 76 H ILE 76 -12.468 5.308 1.737 493 HA ILE 76 HA ILE 76 -11.804 4.753 4.508 494 HB ILE 76 HB ILE 76 -11.082 3.502 1.843 495 HG12 ILE 76 HG12 ILE 76 -12.723 2.267 4.090 496 HG13 ILE 76 HG13 ILE 76 -13.472 3.396 2.986 497 HG21 ILE 76 HG21 ILE 76 -9.204 3.048 3.295 498 HG22 ILE 76 HG22 ILE 76 -10.285 2.589 4.632 499 HG23 ILE 76 HG23 ILE 76 -10.181 1.578 3.169 500 HD11 ILE 76 HD11 ILE 76 -12.579 1.857 1.072 501 HD12 ILE 76 HD12 ILE 76 -12.415 0.651 2.367 502 HD13 ILE 76 HD13 ILE 76 -13.995 1.404 2.004 503 H LEU 77 H LEU 77 -9.854 5.869 1.660 504 HA LEU 77 HA LEU 77 -7.427 6.322 3.149 505 HB2 LEU 77 HB2 LEU 77 -8.679 7.461 0.639 506 HB3 LEU 77 HB3 LEU 77 -7.211 8.177 1.283 507 HG LEU 77 HG LEU 77 -7.476 5.240 0.535 508 HD11 LEU 77 HD11 LEU 77 -6.194 5.885 -1.460 509 HD12 LEU 77 HD12 LEU 77 -6.183 7.580 -0.916 510 HD13 LEU 77 HD13 LEU 77 -7.715 6.813 -1.354 511 HD21 LEU 77 HD21 LEU 77 -5.078 6.970 1.311 512 HD22 LEU 77 HD22 LEU 77 -4.947 5.345 0.595 513 HD23 LEU 77 HD23 LEU 77 -5.687 5.555 2.188 514 H ARG 78 H ARG 78 -10.311 8.298 2.720 515 HA ARG 78 HA ARG 78 -9.319 10.529 4.300 516 HB2 ARG 78 HB2 ARG 78 -12.145 9.750 3.564 517 HB3 ARG 78 HB3 ARG 78 -11.705 11.247 4.390 518 HG2 ARG 78 HG2 ARG 78 -10.475 12.088 2.529 519 HG3 ARG 78 HG3 ARG 78 -10.477 10.528 1.703 520 HD2 ARG 78 HD2 ARG 78 -12.999 10.657 1.603 521 HD3 ARG 78 HD3 ARG 78 -12.894 12.301 2.217 522 HE ARG 78 HE ARG 78 -11.775 11.291 -0.385 523 HH11 ARG 78 HH11 ARG 78 -12.805 14.216 1.398 524 HH12 ARG 78 HH12 ARG 78 -12.983 15.047 -0.150 525 HH21 ARG 78 HH21 ARG 78 -12.279 12.403 -2.106 526 HH22 ARG 78 HH22 ARG 78 -12.654 14.137 -1.980 527 H ALA 79 H ALA 79 -11.042 7.556 5.207 528 HA ALA 79 HA ALA 79 -11.279 8.220 7.999 529 HB1 ALA 79 HB1 ALA 79 -11.752 5.832 8.273 530 HB2 ALA 79 HB2 ALA 79 -12.635 6.490 6.881 531 HB3 ALA 79 HB3 ALA 79 -11.184 5.498 6.635 532 H VAL 80 H VAL 80 -8.534 6.884 6.127 533 HA VAL 80 HA VAL 80 -6.830 6.544 8.479 534 HB VAL 80 HB VAL 80 -6.057 7.161 5.596 535 HG11 VAL 80 HG11 VAL 80 -3.891 6.197 6.212 536 HG12 VAL 80 HG12 VAL 80 -4.229 7.620 7.192 537 HG13 VAL 80 HG13 VAL 80 -4.443 6.001 7.892 538 HG21 VAL 80 HG21 VAL 80 -5.614 4.764 5.385 539 HG22 VAL 80 HG22 VAL 80 -6.207 4.489 7.041 540 HG23 VAL 80 HG23 VAL 80 -7.312 5.023 5.763 541 H GLY 81 H GLY 81 -7.403 9.163 6.110 542 HA2 GLY 81 HA2 GLY 81 -7.329 11.474 6.397 543 HA3 GLY 81 HA3 GLY 81 -6.828 11.253 8.078 544 H ASN 82 H ASN 82 -4.945 9.364 6.060 545 HA ASN 82 HA ASN 82 -2.975 11.308 5.175 546 HB2 ASN 82 HB2 ASN 82 -2.499 10.986 7.677 547 HB3 ASN 82 HB3 ASN 82 -2.169 9.288 7.329 548 HD21 ASN 82 HD21 ASN 82 0.030 8.972 7.308 549 HD22 ASN 82 HD22 ASN 82 1.117 10.018 6.374 550 H MET 83 H MET 83 -0.865 9.631 4.513 551 HA MET 83 HA MET 83 -2.026 7.580 2.757 552 HB2 MET 83 HB2 MET 83 -0.131 9.219 2.137 553 HB3 MET 83 HB3 MET 83 0.889 8.270 3.211 554 HG2 MET 83 HG2 MET 83 1.358 7.231 1.265 555 HG3 MET 83 HG3 MET 83 -0.012 6.240 1.736 556 HE1 MET 83 HE1 MET 83 -2.731 7.139 -0.868 557 HE2 MET 83 HE2 MET 83 -2.223 6.129 0.500 558 HE3 MET 83 HE3 MET 83 -2.712 7.825 0.767 559 HA PRO 84 HA PRO 84 -1.399 4.846 6.281 560 HB2 PRO 84 HB2 PRO 84 -2.449 2.505 5.325 561 HB3 PRO 84 HB3 PRO 84 -3.455 3.892 5.816 562 HG2 PRO 84 HG2 PRO 84 -2.665 3.025 3.037 563 HG3 PRO 84 HG3 PRO 84 -4.218 3.664 3.599 564 HD2 PRO 84 HD2 PRO 84 -2.284 5.215 2.347 565 HD3 PRO 84 HD3 PRO 84 -3.512 5.882 3.462 566 H TYR 85 H TYR 85 0.243 4.819 3.440 567 HA TYR 85 HA TYR 85 1.806 2.360 3.766 568 HB2 TYR 85 HB2 TYR 85 2.278 4.630 1.842 569 HB3 TYR 85 HB3 TYR 85 2.724 2.939 1.643 570 HD1 TYR 85 HD1 TYR 85 -0.138 1.833 2.451 571 HD2 TYR 85 HD2 TYR 85 1.213 4.924 -0.238 572 HE1 TYR 85 HE1 TYR 85 -2.251 1.649 1.158 573 HE2 TYR 85 HE2 TYR 85 -0.935 4.772 -1.487 574 HH TYR 85 HH TYR 85 -2.993 3.808 -1.606 Start of MODEL 6 1 H ASN 14 H1 ASN 14 -4.966 -2.017 -5.450 2 HA ASN 14 HA ASN 14 -3.073 -2.813 -6.590 3 HB2 ASN 14 HB2 ASN 14 -3.289 0.213 -6.880 4 HB3 ASN 14 HB3 ASN 14 -2.442 -0.854 -7.983 5 HD21 ASN 14 HD21 ASN 14 -3.719 -0.306 -9.798 6 HD22 ASN 14 HD22 ASN 14 -5.434 -0.623 -9.835 7 HA PRO 15 HA PRO 15 0.865 -2.345 -4.673 8 HB2 PRO 15 HB2 PRO 15 2.579 -2.966 -6.738 9 HB3 PRO 15 HB3 PRO 15 1.550 -4.179 -5.916 10 HG2 PRO 15 HG2 PRO 15 0.920 -2.670 -8.493 11 HG3 PRO 15 HG3 PRO 15 0.848 -4.438 -8.204 12 HD2 PRO 15 HD2 PRO 15 -1.316 -2.850 -8.044 13 HD3 PRO 15 HD3 PRO 15 -1.098 -4.207 -6.891 14 H CYS 16 H CYS 16 2.605 -0.900 -4.483 15 HA CYS 16 HA CYS 16 2.013 1.722 -5.695 16 HB2 CYS 16 2HB CYS 16 3.432 0.791 -3.223 17 HB3 CYS 16 3HB CYS 16 3.641 2.445 -3.814 18 H LEU 17 H LEU 17 2.848 0.765 -7.750 19 HA LEU 17 HA LEU 17 5.521 0.383 -8.469 20 HB2 LEU 17 HB2 LEU 17 3.071 1.490 -9.871 21 HB3 LEU 17 HB3 LEU 17 4.613 1.612 -10.681 22 HG LEU 17 HG LEU 17 3.314 -0.327 -11.402 23 HD11 LEU 17 HD11 LEU 17 5.884 -1.162 -10.007 24 HD12 LEU 17 HD12 LEU 17 5.787 -0.309 -11.569 25 HD13 LEU 17 HD13 LEU 17 5.094 -1.926 -11.397 26 HD21 LEU 17 HD21 LEU 17 3.051 -2.302 -10.038 27 HD22 LEU 17 HD22 LEU 17 2.248 -0.929 -9.267 28 HD23 LEU 17 HD23 LEU 17 3.817 -1.514 -8.648 29 H SER 18 H SER 18 3.894 3.481 -7.947 30 HA SER 18 HA SER 18 5.815 5.231 -9.092 31 HB2 SER 18 HB2 SER 18 4.049 5.715 -6.689 32 HB3 SER 18 HB3 SER 18 4.574 6.934 -7.881 33 HG SER 18 HG SER 18 3.296 5.804 -9.450 34 H GLU 19 H GLU 19 5.592 3.892 -5.786 35 HA GLU 19 HA GLU 19 8.035 5.326 -4.944 36 HB2 GLU 19 HB2 GLU 19 5.852 4.672 -3.534 37 HB3 GLU 19 HB3 GLU 19 6.711 3.152 -3.320 38 HG2 GLU 19 HG2 GLU 19 7.182 4.645 -1.456 39 HG3 GLU 19 HG3 GLU 19 8.657 4.432 -2.395 40 H SER 20 H SER 20 7.041 2.222 -6.199 41 HA SER 20 HA SER 20 9.519 0.798 -5.627 42 HB2 SER 20 HB2 SER 20 7.181 -0.080 -6.500 43 HB3 SER 20 HB3 SER 20 7.909 0.187 -8.094 44 HG SER 20 HG SER 20 8.760 -1.698 -7.733 45 H ASP 21 H ASP 21 8.519 2.909 -8.311 46 HA ASP 21 HA ASP 21 10.861 2.838 -9.913 47 HB2 ASP 21 HB2 ASP 21 8.765 3.802 -10.634 48 HB3 ASP 21 HB3 ASP 21 8.767 4.958 -9.316 49 H ALA 22 H ALA 22 10.090 4.970 -7.089 50 HA ALA 22 HA ALA 22 12.582 6.388 -7.180 51 HB1 ALA 22 HB1 ALA 22 10.651 5.974 -4.856 52 HB2 ALA 22 HB2 ALA 22 11.880 7.252 -5.015 53 HB3 ALA 22 HB3 ALA 22 10.501 7.218 -6.118 54 H SER 23 H SER 23 11.568 3.519 -5.283 55 HA SER 23 HA SER 23 14.010 2.859 -4.013 56 HB2 SER 23 HB2 SER 23 11.804 1.703 -3.712 57 HB3 SER 23 HB3 SER 23 12.020 0.930 -5.281 58 HG SER 23 HG SER 23 12.826 -0.528 -3.917 59 H THR 24 H THR 24 12.908 1.832 -7.286 60 HA THR 24 HA THR 24 15.192 0.311 -8.022 61 HB THR 24 HB THR 24 13.276 1.888 -9.797 62 HG1 THR 24 HG1 THR 24 12.162 0.454 -8.564 63 HG21 THR 24 HG21 THR 24 13.766 0.241 -11.530 64 HG22 THR 24 HG22 THR 24 14.961 -0.552 -10.488 65 HG23 THR 24 HG23 THR 24 15.248 1.097 -11.088 66 H ARG 25 H ARG 25 14.515 3.777 -8.532 67 HA ARG 25 HA ARG 25 17.029 4.414 -9.816 68 HB2 ARG 25 HB2 ARG 25 14.833 6.030 -8.474 69 HB3 ARG 25 HB3 ARG 25 16.264 6.798 -9.170 70 HG2 ARG 25 HG2 ARG 25 15.737 6.158 -11.373 71 HG3 ARG 25 HG3 ARG 25 14.662 4.856 -10.865 72 HD2 ARG 25 HD2 ARG 25 13.412 6.743 -11.824 73 HD3 ARG 25 HD3 ARG 25 12.964 6.375 -10.159 74 HE ARG 25 HE ARG 25 14.935 8.578 -10.627 75 HH11 ARG 25 HH11 ARG 25 11.552 7.832 -9.820 76 HH12 ARG 25 HH12 ARG 25 11.431 9.398 -8.990 77 HH21 ARG 25 HH21 ARG 25 14.553 10.460 -9.643 78 HH22 ARG 25 HH22 ARG 25 12.955 10.778 -8.954 79 H CYS 26 H CYS 26 16.053 4.545 -6.351 80 HA CYS 26 HA CYS 26 18.521 5.587 -5.345 81 HB2 CYS 26 2HB CYS 26 16.723 5.412 -3.810 82 HB3 CYS 26 3HB CYS 26 16.425 3.716 -4.194 83 H LEU 27 H LEU 27 17.556 2.205 -5.964 84 HA LEU 27 HA LEU 27 20.017 0.996 -5.186 85 HB2 LEU 27 HB2 LEU 27 17.552 0.287 -6.772 86 HB3 LEU 27 HB3 LEU 27 18.943 -0.779 -6.909 87 HG LEU 27 HG LEU 27 19.003 -1.301 -4.707 88 HD11 LEU 27 HD11 LEU 27 17.040 0.840 -3.901 89 HD12 LEU 27 HD12 LEU 27 18.753 0.689 -3.420 90 HD13 LEU 27 HD13 LEU 27 17.585 -0.508 -2.887 91 HD21 LEU 27 HD21 LEU 27 16.758 -2.277 -4.312 92 HD22 LEU 27 HD22 LEU 27 16.984 -2.167 -6.069 93 HD23 LEU 27 HD23 LEU 27 15.999 -0.965 -5.233 94 H ASP 28 H ASP 28 18.945 1.996 -8.398 95 HA ASP 28 HA ASP 28 21.410 1.439 -9.760 96 HB2 ASP 28 HB2 ASP 28 19.259 1.980 -10.890 97 HB3 ASP 28 HB3 ASP 28 19.441 3.666 -10.395 98 H GLU 29 H GLU 29 20.542 4.364 -7.805 99 HA GLU 29 HA GLU 29 22.947 5.824 -8.355 100 HB2 GLU 29 HB2 GLU 29 20.633 5.958 -6.566 101 HB3 GLU 29 HB3 GLU 29 22.068 6.388 -5.693 102 HG2 GLU 29 HG2 GLU 29 21.216 7.590 -8.371 103 HG3 GLU 29 HG3 GLU 29 20.745 8.241 -6.812 104 H ASN 30 H ASN 30 22.212 3.660 -5.582 105 HA ASN 30 HA ASN 30 25.076 3.832 -4.742 106 HB2 ASN 30 HB2 ASN 30 24.051 3.665 -2.430 107 HB3 ASN 30 HB3 ASN 30 23.800 5.167 -3.312 108 HD21 ASN 30 HD21 ASN 30 22.126 2.010 -3.134 109 HD22 ASN 30 HD22 ASN 30 20.514 2.732 -3.236 110 H ASN 31 H ASN 31 25.283 1.829 -6.193 111 HA ASN 31 HA ASN 31 25.663 -0.417 -6.347 112 HB2 ASN 31 HB2 ASN 31 27.415 0.725 -4.935 113 HB3 ASN 31 HB3 ASN 31 26.602 0.067 -3.510 114 HD21 ASN 31 HD21 ASN 31 28.786 -0.871 -3.199 115 HD22 ASN 31 HD22 ASN 31 29.066 -2.455 -3.959 116 H TYR 32 H TYR 32 23.004 -0.295 -5.928 117 HA TYR 32 HA TYR 32 21.163 -1.289 -5.229 118 HB2 TYR 32 HB2 TYR 32 22.750 -3.139 -6.386 119 HB3 TYR 32 HB3 TYR 32 22.409 -3.964 -4.885 120 HD1 TYR 32 HD1 TYR 32 19.841 -4.153 -4.205 121 HD2 TYR 32 HD2 TYR 32 21.201 -3.020 -8.144 122 HE1 TYR 32 HE1 TYR 32 17.661 -4.784 -5.131 123 HE2 TYR 32 HE2 TYR 32 18.987 -3.675 -9.080 124 HH TYR 32 HH TYR 32 16.371 -4.940 -6.982 125 H ASP 33 H ASP 33 22.358 -0.011 -3.054 126 HA ASP 33 HA ASP 33 22.250 -1.586 -0.689 127 HB2 ASP 33 HB2 ASP 33 23.623 0.490 -1.104 128 HB3 ASP 33 HB3 ASP 33 22.173 1.440 -0.773 129 H ARG 34 H ARG 34 20.138 -2.405 -1.524 130 HA ARG 34 HA ARG 34 17.658 -1.152 -0.795 131 HB2 ARG 34 HB2 ARG 34 16.611 -3.302 -1.083 132 HB3 ARG 34 HB3 ARG 34 17.764 -2.982 -2.360 133 HG2 ARG 34 HG2 ARG 34 18.084 -5.212 -1.924 134 HG3 ARG 34 HG3 ARG 34 19.428 -4.446 -1.094 135 HD2 ARG 34 HD2 ARG 34 18.672 -6.151 0.330 136 HD3 ARG 34 HD3 ARG 34 18.060 -4.693 1.079 137 HE ARG 34 HE ARG 34 16.501 -6.705 -0.515 138 HH11 ARG 34 HH11 ARG 34 16.141 -3.938 1.697 139 HH12 ARG 34 HH12 ARG 34 14.607 -4.575 2.249 140 HH21 ARG 34 HH21 ARG 34 14.508 -7.196 0.121 141 HH22 ARG 34 HH22 ARG 34 13.729 -6.232 1.399 142 H GLU 35 H GLU 35 20.021 -1.865 1.392 143 HA GLU 35 HA GLU 35 18.008 -2.164 3.581 144 HB2 GLU 35 HB2 GLU 35 21.023 -2.194 3.755 145 HB3 GLU 35 HB3 GLU 35 19.877 -2.307 5.108 146 HG2 GLU 35 HG2 GLU 35 18.830 -4.312 3.974 147 HG3 GLU 35 HG3 GLU 35 20.148 -4.286 2.805 148 H ARG 36 H ARG 36 20.343 0.273 2.282 149 HA ARG 36 HA ARG 36 19.319 2.447 3.951 150 HB2 ARG 36 HB2 ARG 36 20.817 2.362 1.323 151 HB3 ARG 36 HB3 ARG 36 20.154 3.855 1.995 152 HG2 ARG 36 HG2 ARG 36 21.369 3.394 4.151 153 HG3 ARG 36 HG3 ARG 36 22.188 2.037 3.349 154 HD2 ARG 36 HD2 ARG 36 23.157 3.553 1.699 155 HD3 ARG 36 HD3 ARG 36 22.159 4.881 2.312 156 HE ARG 36 HE ARG 36 23.616 5.231 4.087 157 HH11 ARG 36 HH11 ARG 36 24.635 2.126 2.679 158 HH12 ARG 36 HH12 ARG 36 26.153 2.255 3.560 159 HH21 ARG 36 HH21 ARG 36 25.455 5.233 5.046 160 HH22 ARG 36 HH22 ARG 36 26.644 3.941 4.783 161 H CYS 37 H CYS 37 18.186 0.970 0.955 162 HA CYS 37 HA CYS 37 15.794 2.761 1.083 163 HB2 CYS 37 2HB CYS 37 17.227 1.508 -1.234 164 HB3 CYS 37 3HB CYS 37 15.572 2.117 -1.392 165 H SER 38 H SER 38 16.010 0.298 2.720 166 HA SER 38 HA SER 38 14.041 -1.613 1.740 167 HB2 SER 38 HB2 SER 38 15.871 -1.827 3.627 168 HB3 SER 38 HB3 SER 38 14.629 -1.109 4.662 169 HG SER 38 HG SER 38 14.585 -3.442 4.568 170 H THR 39 H THR 39 13.888 1.391 3.627 171 HA THR 39 HA THR 39 11.278 1.355 4.622 172 HB THR 39 HB THR 39 12.907 3.075 5.126 173 HG1 THR 39 HG1 THR 39 10.805 3.607 5.515 174 HG21 THR 39 HG21 THR 39 12.368 4.370 2.436 175 HG22 THR 39 HG22 THR 39 13.876 3.521 2.880 176 HG23 THR 39 HG23 THR 39 13.388 4.974 3.749 177 H TYR 40 H TYR 40 12.258 2.163 1.333 178 HA TYR 40 HA TYR 40 9.719 2.921 0.251 179 HB2 TYR 40 HB2 TYR 40 12.027 1.468 -1.124 180 HB3 TYR 40 HB3 TYR 40 10.667 2.242 -1.916 181 HD1 TYR 40 HD2 TYR 40 13.528 3.033 0.406 182 HD2 TYR 40 HD1 TYR 40 10.911 4.420 -2.726 183 HE1 TYR 40 HE2 TYR 40 14.778 5.169 0.315 184 HE2 TYR 40 HE1 TYR 40 12.194 6.517 -2.870 185 HH TYR 40 HH TYR 40 13.759 7.831 -1.801 186 H PHE 41 H PHE 41 11.312 -0.283 0.490 187 HA PHE 41 HA PHE 41 9.237 -1.727 -0.853 188 HB2 PHE 41 HB2 PHE 41 11.682 -2.327 -0.528 189 HB3 PHE 41 HB3 PHE 41 11.282 -2.792 1.115 190 HD1 PHE 41 HD2 PHE 41 8.475 -3.855 -0.858 191 HD2 PHE 41 HD1 PHE 41 12.628 -4.698 -0.096 192 HE1 PHE 41 HE2 PHE 41 8.133 -6.165 -1.636 193 HE2 PHE 41 HE1 PHE 41 12.282 -7.043 -0.907 194 HZ PHE 41 HZ PHE 41 10.030 -7.771 -1.666 195 H LEU 42 H LEU 42 9.840 -1.000 2.623 196 HA LEU 42 HA LEU 42 7.542 -2.423 3.581 197 HB2 LEU 42 HB2 LEU 42 9.232 -1.795 5.159 198 HB3 LEU 42 HB3 LEU 42 9.188 -0.107 4.656 199 HG LEU 42 HG LEU 42 6.965 0.184 5.655 200 HD11 LEU 42 HD11 LEU 42 7.274 -2.687 6.627 201 HD12 LEU 42 HD12 LEU 42 6.046 -2.100 5.481 202 HD13 LEU 42 HD13 LEU 42 6.022 -1.529 7.150 203 HD21 LEU 42 HD21 LEU 42 7.638 0.034 8.002 204 HD22 LEU 42 HD22 LEU 42 8.967 0.607 6.983 205 HD23 LEU 42 HD23 LEU 42 8.963 -1.072 7.566 206 H ARG 43 H ARG 43 7.848 1.060 2.723 207 HA ARG 43 HA ARG 43 5.073 1.688 3.096 208 HB2 ARG 43 HB2 ARG 43 7.177 2.888 1.266 209 HB3 ARG 43 HB3 ARG 43 5.576 3.600 1.573 210 HG2 ARG 43 HG2 ARG 43 6.046 4.077 3.817 211 HG3 ARG 43 HG3 ARG 43 7.390 2.941 3.889 212 HD2 ARG 43 HD2 ARG 43 8.212 5.237 3.956 213 HD3 ARG 43 HD3 ARG 43 8.792 4.376 2.526 214 HE ARG 43 HE ARG 43 6.358 6.030 2.166 215 HH11 ARG 43 HH11 ARG 43 9.849 6.404 2.121 216 HH12 ARG 43 HH12 ARG 43 9.790 7.322 0.620 217 HH21 ARG 43 HH21 ARG 43 6.405 7.321 0.366 218 HH22 ARG 43 HH22 ARG 43 7.939 7.967 -0.183 219 H TYR 44 H TYR 44 6.694 0.089 0.491 220 HA TYR 44 HA TYR 44 4.372 0.035 -1.315 221 HB2 TYR 44 HB2 TYR 44 6.439 0.018 -2.337 222 HB3 TYR 44 HB3 TYR 44 7.091 -1.259 -1.315 223 HD1 TYR 44 HD2 TYR 44 6.017 -3.673 -1.627 224 HD2 TYR 44 HD1 TYR 44 5.831 -0.452 -4.492 225 HE1 TYR 44 HE2 TYR 44 5.654 -5.315 -3.464 226 HE2 TYR 44 HE1 TYR 44 5.511 -2.109 -6.331 227 HH TYR 44 HH TYR 44 5.458 -4.329 -6.899 228 H LYS 45 H LYS 45 5.794 -2.376 1.002 229 HA LYS 45 HA LYS 45 3.760 -4.366 0.577 230 HB2 LYS 45 HB2 LYS 45 5.851 -4.900 1.701 231 HB3 LYS 45 HB3 LYS 45 5.484 -3.781 3.026 232 HG2 LYS 45 HG2 LYS 45 3.579 -5.109 3.728 233 HG3 LYS 45 HG3 LYS 45 3.699 -6.140 2.290 234 HD2 LYS 45 HD2 LYS 45 5.801 -7.085 3.091 235 HD3 LYS 45 HD3 LYS 45 5.803 -5.985 4.495 236 HE2 LYS 45 HE2 LYS 45 3.723 -6.948 5.330 237 HE3 LYS 45 HE3 LYS 45 3.527 -7.925 3.871 238 HZ1 LYS 45 HZ1 LYS 45 5.775 -8.244 5.775 239 HZ2 LYS 45 HZ2 LYS 45 5.440 -9.213 4.496 240 HZ3 LYS 45 HZ3 LYS 45 4.411 -9.154 5.789 241 H ASN 46 H ASN 46 3.819 -1.482 2.668 242 HA ASN 46 HA ASN 46 1.428 -2.016 4.117 243 HB2 ASN 46 HB2 ASN 46 2.601 0.660 3.242 244 HB3 ASN 46 HB3 ASN 46 1.359 0.452 4.471 245 HD21 ASN 46 HD21 ASN 46 3.767 1.748 4.934 246 HD22 ASN 46 HD22 ASN 46 4.810 0.768 5.949 247 H CYS 47 H CYS 47 1.863 -0.760 0.776 248 HA CYS 47 HA CYS 47 -0.856 0.073 0.444 249 HB2 CYS 47 2HB CYS 47 1.182 -0.918 -1.613 250 HB3 CYS 47 3HB CYS 47 -0.301 -0.041 -1.980 251 H ARG 48 H ARG 48 0.677 -3.098 0.240 252 HA ARG 48 HA ARG 48 -1.853 -4.370 -0.680 253 HB2 ARG 48 HB2 ARG 48 0.742 -5.592 0.397 254 HB3 ARG 48 HB3 ARG 48 -0.603 -6.505 -0.250 255 HG2 ARG 48 HG2 ARG 48 0.978 -4.510 -1.939 256 HG3 ARG 48 HG3 ARG 48 1.476 -6.180 -1.682 257 HD2 ARG 48 HD2 ARG 48 -0.931 -6.810 -2.498 258 HD3 ARG 48 HD3 ARG 48 -0.942 -5.189 -3.210 259 HE ARG 48 HE ARG 48 1.464 -6.219 -4.077 260 HH11 ARG 48 HH11 ARG 48 -1.762 -7.635 -4.305 261 HH12 ARG 48 HH12 ARG 48 -1.224 -8.795 -5.496 262 HH21 ARG 48 HH21 ARG 48 1.984 -7.581 -5.720 263 HH22 ARG 48 HH22 ARG 48 0.784 -8.682 -6.345 264 H ARG 49 H ARG 49 0.118 -4.381 2.295 265 HA ARG 49 HA ARG 49 -1.641 -5.933 3.842 266 HB2 ARG 49 HB2 ARG 49 0.665 -5.545 4.419 267 HB3 ARG 49 HB3 ARG 49 0.380 -3.818 4.666 268 HG2 ARG 49 HG2 ARG 49 -0.883 -4.185 6.661 269 HG3 ARG 49 HG3 ARG 49 -1.079 -5.911 6.309 270 HD2 ARG 49 HD2 ARG 49 0.557 -5.555 8.085 271 HD3 ARG 49 HD3 ARG 49 1.276 -6.323 6.656 272 HE ARG 49 HE ARG 49 1.586 -3.376 6.947 273 HH11 ARG 49 HH11 ARG 49 3.046 -6.357 8.018 274 HH12 ARG 49 HH12 ARG 49 4.661 -5.667 7.877 275 HH21 ARG 49 HH21 ARG 49 3.744 -2.662 6.725 276 HH22 ARG 49 HH22 ARG 49 4.989 -3.735 7.376 277 H PHE 50 H PHE 50 -1.799 -2.329 3.474 278 HA PHE 50 HA PHE 50 -3.839 -2.011 5.487 279 HB2 PHE 50 HB2 PHE 50 -2.500 -0.169 4.463 280 HB3 PHE 50 HB3 PHE 50 -3.338 -0.384 2.953 281 HD1 PHE 50 HD1 PHE 50 -3.908 0.446 6.576 282 HD2 PHE 50 HD2 PHE 50 -5.476 0.609 2.563 283 HE1 PHE 50 HE1 PHE 50 -5.805 1.840 7.368 284 HE2 PHE 50 HE2 PHE 50 -7.374 1.986 3.354 285 HZ PHE 50 HZ PHE 50 -7.555 2.590 5.762 286 H TRP 51 H TRP 51 -4.054 -2.267 1.925 287 HA TRP 51 HA TRP 51 -6.946 -2.270 2.029 288 HB2 TRP 51 HB2 TRP 51 -4.970 -2.685 -0.217 289 HB3 TRP 51 HB3 TRP 51 -6.708 -2.728 -0.446 290 HD1 TRP 51 HD1 TRP 51 -3.958 -0.288 -0.613 291 HE1 TRP 51 HE1 TRP 51 -4.892 2.071 -0.880 292 HE3 TRP 51 HE3 TRP 51 -8.729 -1.061 1.134 293 HZ2 TRP 51 HZ2 TRP 51 -7.181 3.528 -0.011 294 HZ3 TRP 51 HZ3 TRP 51 -10.195 0.900 1.579 295 HH2 TRP 51 HH2 TRP 51 -9.423 3.197 1.032 296 H ASN 52 H ASN 52 -4.590 -4.948 1.871 297 HA ASN 52 HA ASN 52 -6.428 -7.113 1.707 298 HB2 ASN 52 HB2 ASN 52 -3.716 -6.695 3.039 299 HB3 ASN 52 HB3 ASN 52 -4.535 -8.228 3.033 300 HD21 ASN 52 HD21 ASN 52 -2.120 -8.268 2.014 301 HD22 ASN 52 HD22 ASN 52 -2.168 -8.395 0.266 302 H SER 53 H SER 53 -5.301 -5.179 4.575 303 HA SER 53 HA SER 53 -6.786 -6.752 6.466 304 HB2 SER 53 HB2 SER 53 -5.999 -3.825 6.715 305 HB3 SER 53 HB3 SER 53 -6.483 -4.922 8.020 306 HG SER 53 HG SER 53 -4.164 -4.996 6.390 307 H ILE 54 H ILE 54 -7.700 -3.823 4.564 308 HA ILE 54 HA ILE 54 -10.366 -3.596 5.648 309 HB ILE 54 HB ILE 54 -9.168 -2.783 2.974 310 HG12 ILE 54 HG12 ILE 54 -8.142 -1.633 4.888 311 HG13 ILE 54 HG13 ILE 54 -9.044 -0.544 3.863 312 HG21 ILE 54 HG21 ILE 54 -11.905 -2.133 4.107 313 HG22 ILE 54 HG22 ILE 54 -11.119 -1.204 2.809 314 HG23 ILE 54 HG23 ILE 54 -11.503 -2.906 2.555 315 HD11 ILE 54 HD11 ILE 54 -9.369 -0.009 6.228 316 HD12 ILE 54 HD12 ILE 54 -10.910 -0.530 5.525 317 HD13 ILE 54 HD13 ILE 54 -9.973 -1.642 6.555 318 H VAL 55 H VAL 55 -9.094 -5.472 2.906 319 HA VAL 55 HA VAL 55 -11.524 -6.681 2.051 320 HB VAL 55 HB VAL 55 -8.625 -7.508 1.934 321 HG11 VAL 55 HG11 VAL 55 -9.720 -9.663 1.976 322 HG12 VAL 55 HG12 VAL 55 -10.913 -9.126 0.776 323 HG13 VAL 55 HG13 VAL 55 -9.205 -9.293 0.334 324 HG21 VAL 55 HG21 VAL 55 -8.794 -6.948 -0.349 325 HG22 VAL 55 HG22 VAL 55 -10.563 -6.858 -0.283 326 HG23 VAL 55 HG23 VAL 55 -9.572 -5.629 0.528 327 H MET 56 H MET 56 -9.176 -7.938 4.528 328 HA MET 56 HA MET 56 -10.798 -10.189 5.237 329 HB2 MET 56 HB2 MET 56 -8.764 -8.626 6.886 330 HB3 MET 56 HB3 MET 56 -9.512 -10.138 7.395 331 HG2 MET 56 HG2 MET 56 -7.685 -9.734 5.016 332 HG3 MET 56 HG3 MET 56 -7.336 -10.580 6.517 333 HE1 MET 56 HE1 MET 56 -7.188 -13.537 4.030 334 HE2 MET 56 HE2 MET 56 -6.587 -11.876 3.816 335 HE3 MET 56 HE3 MET 56 -6.408 -12.693 5.386 336 H GLN 57 H GLN 57 -10.822 -6.855 6.543 337 HA GLN 57 HA GLN 57 -12.797 -7.482 8.565 338 HB2 GLN 57 HB2 GLN 57 -11.973 -4.809 7.359 339 HB3 GLN 57 HB3 GLN 57 -13.063 -4.998 8.733 340 HG2 GLN 57 HG2 GLN 57 -10.112 -5.709 8.645 341 HG3 GLN 57 HG3 GLN 57 -10.870 -4.429 9.566 342 HE21 GLN 57 HE21 GLN 57 -9.142 -6.639 10.553 343 HE22 GLN 57 HE22 GLN 57 -10.158 -7.612 11.608 344 H ARG 58 H ARG 58 -13.128 -6.487 5.180 345 HA ARG 58 HA ARG 58 -16.073 -6.357 5.327 346 HB2 ARG 58 HB2 ARG 58 -13.997 -6.252 3.097 347 HB3 ARG 58 HB3 ARG 58 -15.733 -6.321 2.758 348 HG2 ARG 58 HG2 ARG 58 -16.163 -4.323 4.026 349 HG3 ARG 58 HG3 ARG 58 -14.489 -4.224 4.593 350 HD2 ARG 58 HD2 ARG 58 -13.654 -3.561 2.505 351 HD3 ARG 58 HD3 ARG 58 -15.023 -4.231 1.629 352 HE ARG 58 HE ARG 58 -15.899 -2.136 1.627 353 HH11 ARG 58 HH11 ARG 58 -14.307 -2.228 4.853 354 HH12 ARG 58 HH12 ARG 58 -15.023 -0.708 5.236 355 HH21 ARG 58 HH21 ARG 58 -16.685 -0.376 2.236 356 HH22 ARG 58 HH22 ARG 58 -16.255 0.399 3.773 357 H ARG 59 H ARG 59 -13.755 -8.849 4.680 358 HA ARG 59 HA ARG 59 -15.633 -10.758 3.615 359 HB2 ARG 59 HB2 ARG 59 -13.212 -10.847 3.245 360 HB3 ARG 59 HB3 ARG 59 -12.955 -11.268 4.948 361 HG2 ARG 59 HG2 ARG 59 -14.108 -13.364 4.679 362 HG3 ARG 59 HG3 ARG 59 -14.720 -12.913 3.079 363 HD2 ARG 59 HD2 ARG 59 -12.480 -12.920 2.154 364 HD3 ARG 59 HD3 ARG 59 -11.774 -13.253 3.755 365 HE ARG 59 HE ARG 59 -13.578 -15.336 3.343 366 HH11 ARG 59 HH11 ARG 59 -10.613 -14.254 1.743 367 HH12 ARG 59 HH12 ARG 59 -10.343 -15.870 1.101 368 HH21 ARG 59 HH21 ARG 59 -13.141 -17.290 2.392 369 HH22 ARG 59 HH22 ARG 59 -11.642 -17.462 1.477 370 H LYS 60 H LYS 60 -15.181 -9.685 6.866 371 HA LYS 60 HA LYS 60 -16.116 -11.829 8.371 372 HB2 LYS 60 HB2 LYS 60 -16.694 -10.319 10.049 373 HB3 LYS 60 HB3 LYS 60 -15.390 -9.515 9.171 374 HG2 LYS 60 HG2 LYS 60 -17.179 -8.159 7.975 375 HG3 LYS 60 HG3 LYS 60 -18.379 -8.939 9.033 376 HD2 LYS 60 HD2 LYS 60 -17.173 -8.085 11.037 377 HD3 LYS 60 HD3 LYS 60 -16.036 -7.265 9.961 378 HE2 LYS 60 HE2 LYS 60 -18.052 -6.079 8.930 379 HE3 LYS 60 HE3 LYS 60 -19.028 -6.724 10.254 380 HZ1 LYS 60 HZ1 LYS 60 -16.558 -5.200 10.796 381 HZ2 LYS 60 HZ2 LYS 60 -17.846 -5.430 11.794 382 HZ3 LYS 60 HZ3 LYS 60 -17.989 -4.417 10.512 383 H ASN 61 H ASN 61 -18.120 -9.840 6.215 384 HA ASN 61 HA ASN 61 -20.529 -11.363 7.079 385 HB2 ASN 61 HB2 ASN 61 -20.146 -8.753 5.636 386 HB3 ASN 61 HB3 ASN 61 -21.676 -9.622 5.594 387 HD21 ASN 61 HD21 ASN 61 -19.910 -7.388 7.343 388 HD22 ASN 61 HD22 ASN 61 -20.873 -7.451 8.829 389 H GLY 62 H GLY 62 -18.242 -11.455 4.524 390 HA2 GLY 62 HA2 GLY 62 -17.963 -13.033 2.906 391 HA3 GLY 62 HA3 GLY 62 -19.338 -13.887 3.596 392 H VAL 63 H VAL 63 -19.935 -10.664 2.285 393 HA VAL 63 HA VAL 63 -21.512 -11.968 0.100 394 HB VAL 63 HB VAL 63 -22.892 -11.523 1.967 395 HG11 VAL 63 HG11 VAL 63 -23.321 -9.289 2.895 396 HG12 VAL 63 HG12 VAL 63 -21.661 -9.795 3.188 397 HG13 VAL 63 HG13 VAL 63 -22.017 -8.603 1.914 398 HG21 VAL 63 HG21 VAL 63 -24.598 -10.150 0.986 399 HG22 VAL 63 HG22 VAL 63 -23.427 -9.344 -0.074 400 HG23 VAL 63 HG23 VAL 63 -23.799 -11.072 -0.300 401 H LYS 64 H LYS 64 -19.833 -8.903 0.916 402 HA LYS 64 HA LYS 64 -20.515 -7.820 -1.756 403 HB2 LYS 64 HB2 LYS 64 -19.485 -5.774 -1.017 404 HB3 LYS 64 HB3 LYS 64 -20.594 -6.359 0.210 405 HG2 LYS 64 HG2 LYS 64 -18.827 -6.943 1.672 406 HG3 LYS 64 HG3 LYS 64 -17.611 -6.951 0.402 407 HD2 LYS 64 HD2 LYS 64 -17.539 -4.995 2.003 408 HD3 LYS 64 HD3 LYS 64 -17.522 -4.608 0.280 409 HE2 LYS 64 HE2 LYS 64 -19.921 -4.066 0.338 410 HE3 LYS 64 HE3 LYS 64 -20.024 -4.560 2.038 411 HZ1 LYS 64 HZ1 LYS 64 -18.362 -2.289 1.045 412 HZ2 LYS 64 HZ2 LYS 64 -18.618 -2.710 2.626 413 HZ3 LYS 64 HZ3 LYS 64 -19.849 -2.155 1.735 414 HA PRO 65 HA PRO 65 -16.329 -8.365 -3.567 415 HB2 PRO 65 HB2 PRO 65 -15.880 -5.912 -4.682 416 HB3 PRO 65 HB3 PRO 65 -16.943 -7.146 -5.437 417 HG2 PRO 65 HG2 PRO 65 -17.787 -4.809 -3.697 418 HG3 PRO 65 HG3 PRO 65 -18.431 -5.280 -5.295 419 HD2 PRO 65 HD2 PRO 65 -19.690 -6.057 -3.051 420 HD3 PRO 65 HD3 PRO 65 -19.517 -7.186 -4.403 421 H PHE 66 H PHE 66 -14.932 -8.478 -1.944 422 HA PHE 66 HA PHE 66 -14.958 -6.812 0.368 423 HB2 PHE 66 HB2 PHE 66 -12.801 -8.711 -0.609 424 HB3 PHE 66 HB3 PHE 66 -13.040 -8.160 1.031 425 HD1 PHE 66 HD2 PHE 66 -16.026 -8.567 1.373 426 HD2 PHE 66 HD1 PHE 66 -13.059 -11.006 -0.574 427 HE1 PHE 66 HE2 PHE 66 -17.448 -10.565 1.703 428 HE2 PHE 66 HE1 PHE 66 -14.454 -13.022 -0.173 429 HZ PHE 66 HZ PHE 66 -16.658 -12.803 0.944 430 H MET 67 H MET 67 -12.728 -7.027 -2.365 431 HA MET 67 HA MET 67 -11.011 -4.839 -1.786 432 HB2 MET 67 HB2 MET 67 -11.987 -6.138 -4.330 433 HB3 MET 67 HB3 MET 67 -11.023 -4.665 -4.402 434 HG2 MET 67 HG2 MET 67 -10.154 -7.178 -2.939 435 HG3 MET 67 HG3 MET 67 -9.662 -6.739 -4.575 436 HE1 MET 67 HE1 MET 67 -6.386 -6.207 -2.509 437 HE2 MET 67 HE2 MET 67 -7.640 -7.430 -2.191 438 HE3 MET 67 HE3 MET 67 -7.171 -7.062 -3.859 439 HA PRO 68 HA PRO 68 -14.465 -2.060 -1.523 440 HB2 PRO 68 HB2 PRO 68 -13.165 0.277 -0.773 441 HB3 PRO 68 HB3 PRO 68 -13.487 -1.113 0.309 442 HG2 PRO 68 HG2 PRO 68 -10.956 -0.475 -1.237 443 HG3 PRO 68 HG3 PRO 68 -11.126 -0.959 0.481 444 HD2 PRO 68 HD2 PRO 68 -10.462 -2.740 -1.447 445 HD3 PRO 68 HD3 PRO 68 -11.543 -3.193 -0.095 446 H THR 69 H THR 69 -15.618 -0.625 -2.712 447 HA THR 69 HA THR 69 -14.701 0.143 -5.360 448 HB THR 69 HB THR 69 -16.989 1.050 -5.600 449 HG1 THR 69 HG1 THR 69 -17.382 0.106 -2.949 450 HG21 THR 69 HG21 THR 69 -16.687 -1.343 -6.046 451 HG22 THR 69 HG22 THR 69 -18.276 -1.024 -5.324 452 HG23 THR 69 HG23 THR 69 -16.984 -1.728 -4.337 453 H ALA 70 H ALA 70 -15.245 2.428 -6.134 454 HA ALA 70 HA ALA 70 -13.256 4.031 -5.074 455 HB1 ALA 70 HB1 ALA 70 -15.635 4.875 -6.768 456 HB2 ALA 70 HB2 ALA 70 -14.155 5.832 -6.532 457 HB3 ALA 70 HB3 ALA 70 -14.066 4.266 -7.348 458 H ALA 71 H ALA 71 -16.786 4.465 -4.345 459 HA ALA 71 HA ALA 71 -16.322 6.749 -2.651 460 HB1 ALA 71 HB1 ALA 71 -18.485 6.305 -3.726 461 HB2 ALA 71 HB2 ALA 71 -18.669 4.828 -2.746 462 HB3 ALA 71 HB3 ALA 71 -18.657 6.418 -1.965 463 H GLU 72 H GLU 72 -16.164 3.249 -1.986 464 HA GLU 72 HA GLU 72 -16.103 3.448 0.893 465 HB2 GLU 72 HB2 GLU 72 -15.139 1.293 -1.006 466 HB3 GLU 72 HB3 GLU 72 -15.215 1.162 0.748 467 HG2 GLU 72 HG2 GLU 72 -17.644 1.455 0.677 468 HG3 GLU 72 HG3 GLU 72 -17.610 1.631 -1.078 469 H ARG 73 H ARG 73 -13.612 2.962 -1.688 470 HA ARG 73 HA ARG 73 -11.304 3.211 -0.071 471 HB2 ARG 73 HB2 ARG 73 -11.837 3.963 -2.981 472 HB3 ARG 73 HB3 ARG 73 -10.238 4.114 -2.239 473 HG2 ARG 73 HG2 ARG 73 -10.195 1.737 -1.700 474 HG3 ARG 73 HG3 ARG 73 -11.814 1.515 -2.374 475 HD2 ARG 73 HD2 ARG 73 -11.052 1.389 -4.502 476 HD3 ARG 73 HD3 ARG 73 -10.027 2.802 -4.305 477 HE ARG 73 HE ARG 73 -8.203 1.496 -3.664 478 HH11 ARG 73 HH11 ARG 73 -10.904 -0.737 -4.266 479 HH12 ARG 73 HH12 ARG 73 -9.749 -2.004 -4.666 480 HH21 ARG 73 HH21 ARG 73 -6.964 -0.192 -3.955 481 HH22 ARG 73 HH22 ARG 73 -7.615 -1.779 -4.275 482 H ASP 74 H ASP 74 -13.208 5.777 -1.581 483 HA ASP 74 HA ASP 74 -11.715 8.014 -0.655 484 HB2 ASP 74 HB2 ASP 74 -13.381 8.117 -2.427 485 HB3 ASP 74 HB3 ASP 74 -14.656 7.627 -1.327 486 H GLU 75 H GLU 75 -14.729 6.602 0.893 487 HA GLU 75 HA GLU 75 -14.482 8.406 3.123 488 HB2 GLU 75 HB2 GLU 75 -16.316 7.291 4.092 489 HB3 GLU 75 HB3 GLU 75 -16.610 7.386 2.362 490 HG2 GLU 75 HG2 GLU 75 -15.877 5.014 2.156 491 HG3 GLU 75 HG3 GLU 75 -15.634 4.917 3.884 492 H ILE 76 H ILE 76 -13.052 5.286 2.536 493 HA ILE 76 HA ILE 76 -12.182 4.790 5.273 494 HB ILE 76 HB ILE 76 -11.457 3.602 2.580 495 HG12 ILE 76 HG12 ILE 76 -12.932 2.255 4.887 496 HG13 ILE 76 HG13 ILE 76 -13.798 3.264 3.748 497 HG21 ILE 76 HG21 ILE 76 -10.503 2.786 5.350 498 HG22 ILE 76 HG22 ILE 76 -10.332 1.779 3.894 499 HG23 ILE 76 HG23 ILE 76 -9.507 3.341 3.985 500 HD11 ILE 76 HD11 ILE 76 -14.087 1.163 2.871 501 HD12 ILE 76 HD12 ILE 76 -12.804 1.801 1.863 502 HD13 ILE 76 HD13 ILE 76 -12.404 0.659 3.171 503 H LEU 77 H LEU 77 -10.507 6.025 2.297 504 HA LEU 77 HA LEU 77 -8.016 6.592 3.629 505 HB2 LEU 77 HB2 LEU 77 -9.398 7.615 1.141 506 HB3 LEU 77 HB3 LEU 77 -7.885 8.302 1.671 507 HG LEU 77 HG LEU 77 -8.217 5.315 1.162 508 HD11 LEU 77 HD11 LEU 77 -8.723 6.620 -0.848 509 HD12 LEU 77 HD12 LEU 77 -7.166 5.783 -1.035 510 HD13 LEU 77 HD13 LEU 77 -7.208 7.522 -0.656 511 HD21 LEU 77 HD21 LEU 77 -5.713 5.370 0.907 512 HD22 LEU 77 HD22 LEU 77 -6.236 5.854 2.534 513 HD23 LEU 77 HD23 LEU 77 -5.737 7.087 1.362 514 H ARG 78 H ARG 78 -10.993 8.463 3.242 515 HA ARG 78 HA ARG 78 -10.030 10.855 4.583 516 HB2 ARG 78 HB2 ARG 78 -12.831 9.781 4.117 517 HB3 ARG 78 HB3 ARG 78 -12.511 11.308 4.946 518 HG2 ARG 78 HG2 ARG 78 -11.422 12.250 2.977 519 HG3 ARG 78 HG3 ARG 78 -11.541 10.713 2.120 520 HD2 ARG 78 HD2 ARG 78 -14.085 10.877 2.479 521 HD3 ARG 78 HD3 ARG 78 -13.827 12.555 2.947 522 HE ARG 78 HE ARG 78 -13.623 11.312 0.286 523 HH11 ARG 78 HH11 ARG 78 -13.084 14.382 1.951 524 HH12 ARG 78 HH12 ARG 78 -12.832 15.191 0.411 525 HH21 ARG 78 HH21 ARG 78 -13.263 12.345 -1.454 526 HH22 ARG 78 HH22 ARG 78 -13.120 14.111 -1.491 527 H ALA 79 H ALA 79 -11.616 7.880 5.778 528 HA ALA 79 HA ALA 79 -11.627 8.742 8.528 529 HB1 ALA 79 HB1 ALA 79 -12.086 6.383 9.017 530 HB2 ALA 79 HB2 ALA 79 -13.103 7.009 7.712 531 HB3 ALA 79 HB3 ALA 79 -11.722 5.952 7.332 532 H VAL 80 H VAL 80 -9.032 7.188 6.610 533 HA VAL 80 HA VAL 80 -7.215 6.938 8.887 534 HB VAL 80 HB VAL 80 -6.687 7.186 5.892 535 HG11 VAL 80 HG11 VAL 80 -4.676 7.853 7.163 536 HG12 VAL 80 HG12 VAL 80 -4.804 6.373 8.133 537 HG13 VAL 80 HG13 VAL 80 -4.446 6.282 6.394 538 HG21 VAL 80 HG21 VAL 80 -6.645 4.752 7.730 539 HG22 VAL 80 HG22 VAL 80 -7.897 5.109 6.529 540 HG23 VAL 80 HG23 VAL 80 -6.247 4.776 5.995 541 H GLY 81 H GLY 81 -7.842 9.392 6.381 542 HA2 GLY 81 HA2 GLY 81 -7.761 11.689 6.491 543 HA3 GLY 81 HA3 GLY 81 -7.118 11.613 8.137 544 H ASN 82 H ASN 82 -5.481 9.614 5.989 545 HA ASN 82 HA ASN 82 -3.437 11.434 5.021 546 HB2 ASN 82 HB2 ASN 82 -2.923 11.093 7.511 547 HB3 ASN 82 HB3 ASN 82 -2.752 9.373 7.181 548 HD21 ASN 82 HD21 ASN 82 -0.586 9.617 8.084 549 HD22 ASN 82 HD22 ASN 82 0.688 10.241 7.016 550 H MET 83 H MET 83 -1.526 9.901 4.181 551 HA MET 83 HA MET 83 -2.560 7.820 2.456 552 HB2 MET 83 HB2 MET 83 -0.667 9.575 2.058 553 HB3 MET 83 HB3 MET 83 0.332 8.514 3.036 554 HG2 MET 83 HG2 MET 83 0.847 7.782 0.952 555 HG3 MET 83 HG3 MET 83 -0.473 6.671 1.299 556 HE1 MET 83 HE1 MET 83 -3.258 7.911 0.463 557 HE2 MET 83 HE2 MET 83 -3.142 7.535 -1.267 558 HE3 MET 83 HE3 MET 83 -2.474 6.402 -0.074 559 HA PRO 84 HA PRO 84 -1.822 4.771 5.719 560 HB2 PRO 84 HB2 PRO 84 -2.675 2.496 4.466 561 HB3 PRO 84 HB3 PRO 84 -3.779 3.758 5.082 562 HG2 PRO 84 HG2 PRO 84 -2.926 3.238 2.230 563 HG3 PRO 84 HG3 PRO 84 -4.506 3.767 2.867 564 HD2 PRO 84 HD2 PRO 84 -2.579 5.502 1.813 565 HD3 PRO 84 HD3 PRO 84 -3.883 6.004 2.924 566 H TYR 85 H TYR 85 -0.059 5.231 3.003 567 HA TYR 85 HA TYR 85 1.619 2.861 2.977 568 HB2 TYR 85 HB2 TYR 85 2.170 5.529 1.696 569 HB3 TYR 85 HB3 TYR 85 2.775 3.956 1.202 570 HD1 TYR 85 HD2 TYR 85 -0.579 3.084 1.510 571 HD2 TYR 85 HD1 TYR 85 1.916 5.803 -0.723 572 HE1 TYR 85 HE2 TYR 85 -2.357 3.299 -0.240 573 HE2 TYR 85 HE1 TYR 85 0.250 5.834 -2.539 574 HH TYR 85 HH TYR 85 -2.858 4.097 -2.388 Start of MODEL 7 1 H ASN 14 H1 ASN 14 -4.071 -1.622 -3.840 2 HA ASN 14 HA ASN 14 -2.869 -3.187 -5.219 3 HB2 ASN 14 HB2 ASN 14 -2.378 -0.250 -5.882 4 HB3 ASN 14 HB3 ASN 14 -2.326 -1.556 -7.043 5 HD21 ASN 14 HD21 ASN 14 -3.939 -0.112 -8.119 6 HD22 ASN 14 HD22 ASN 14 -5.622 -0.219 -7.646 7 HA PRO 15 HA PRO 15 1.723 -3.159 -4.779 8 HB2 PRO 15 HB2 PRO 15 2.618 -3.372 -7.375 9 HB3 PRO 15 HB3 PRO 15 1.993 -4.757 -6.422 10 HG2 PRO 15 HG2 PRO 15 0.469 -3.024 -8.403 11 HG3 PRO 15 HG3 PRO 15 0.548 -4.818 -8.330 12 HD2 PRO 15 HD2 PRO 15 -1.497 -3.462 -7.249 13 HD3 PRO 15 HD3 PRO 15 -0.828 -4.876 -6.391 14 H CYS 16 H CYS 16 3.324 -1.620 -4.931 15 HA CYS 16 HA CYS 16 2.327 1.088 -5.663 16 HB2 CYS 16 2HB CYS 16 3.677 -0.093 -3.300 17 HB3 CYS 16 3HB CYS 16 4.121 1.563 -3.708 18 H LEU 17 H LEU 17 3.129 0.979 -7.823 19 HA LEU 17 HA LEU 17 5.891 0.637 -8.492 20 HB2 LEU 17 HB2 LEU 17 3.472 1.809 -9.902 21 HB3 LEU 17 HB3 LEU 17 5.054 1.938 -10.625 22 HG LEU 17 HG LEU 17 3.767 0.105 -11.545 23 HD11 LEU 17 HD11 LEU 17 5.502 -1.587 -11.491 24 HD12 LEU 17 HD12 LEU 17 6.185 -0.904 -10.010 25 HD13 LEU 17 HD13 LEU 17 6.237 0.019 -11.528 26 HD21 LEU 17 HD21 LEU 17 2.502 -0.594 -9.527 27 HD22 LEU 17 HD22 LEU 17 3.995 -1.289 -8.849 28 HD23 LEU 17 HD23 LEU 17 3.301 -1.940 -10.338 29 H SER 18 H SER 18 4.169 3.490 -7.384 30 HA SER 18 HA SER 18 6.141 5.391 -8.387 31 HB2 SER 18 HB2 SER 18 3.828 5.635 -6.481 32 HB3 SER 18 HB3 SER 18 4.772 7.019 -7.084 33 HG SER 18 HG SER 18 3.070 5.266 -8.552 34 H GLU 19 H GLU 19 5.360 4.203 -5.007 35 HA GLU 19 HA GLU 19 7.784 5.420 -3.961 36 HB2 GLU 19 HB2 GLU 19 5.814 4.753 -2.563 37 HB3 GLU 19 HB3 GLU 19 6.196 3.065 -2.888 38 HG2 GLU 19 HG2 GLU 19 7.000 3.609 -0.721 39 HG3 GLU 19 HG3 GLU 19 8.399 3.369 -1.740 40 H SER 20 H SER 20 7.088 2.413 -5.728 41 HA SER 20 HA SER 20 9.743 1.297 -5.319 42 HB2 SER 20 HB2 SER 20 7.982 0.919 -7.757 43 HB3 SER 20 HB3 SER 20 9.436 0.002 -7.341 44 HG SER 20 HG SER 20 7.000 0.156 -5.904 45 H ASP 21 H ASP 21 8.536 3.700 -7.748 46 HA ASP 21 HA ASP 21 11.018 4.042 -9.102 47 HB2 ASP 21 HB2 ASP 21 8.889 4.961 -9.935 48 HB3 ASP 21 HB3 ASP 21 8.828 6.095 -8.591 49 H ALA 22 H ALA 22 9.800 5.693 -6.126 50 HA ALA 22 HA ALA 22 12.124 7.306 -5.741 51 HB1 ALA 22 HB1 ALA 22 9.938 7.679 -4.653 52 HB2 ALA 22 HB2 ALA 22 10.166 6.208 -3.677 53 HB3 ALA 22 HB3 ALA 22 11.260 7.595 -3.476 54 H SER 23 H SER 23 11.451 3.947 -4.680 55 HA SER 23 HA SER 23 13.950 3.528 -3.344 56 HB2 SER 23 HB2 SER 23 13.449 1.308 -3.259 57 HB3 SER 23 HB3 SER 23 11.837 2.008 -3.457 58 HG SER 23 HG SER 23 12.049 1.540 -5.733 59 H THR 24 H THR 24 13.107 3.270 -6.841 60 HA THR 24 HA THR 24 15.721 2.407 -7.679 61 HB THR 24 HB THR 24 13.699 4.009 -9.283 62 HG1 THR 24 HG1 THR 24 12.858 2.121 -9.821 63 HG21 THR 24 HG21 THR 24 15.999 2.175 -10.061 64 HG22 THR 24 HG22 THR 24 15.836 3.899 -10.435 65 HG23 THR 24 HG23 THR 24 14.739 2.731 -11.186 66 H ARG 25 H ARG 25 14.317 5.688 -7.200 67 HA ARG 25 HA ARG 25 16.637 7.167 -8.024 68 HB2 ARG 25 HB2 ARG 25 14.779 7.925 -5.741 69 HB3 ARG 25 HB3 ARG 25 15.835 9.002 -6.636 70 HG2 ARG 25 HG2 ARG 25 13.354 7.607 -7.669 71 HG3 ARG 25 HG3 ARG 25 13.460 9.282 -7.216 72 HD2 ARG 25 HD2 ARG 25 14.763 9.844 -9.079 73 HD3 ARG 25 HD3 ARG 25 15.218 8.158 -9.407 74 HE ARG 25 HE ARG 25 12.445 8.169 -9.627 75 HH11 ARG 25 HH11 ARG 25 14.932 10.048 -11.296 76 HH12 ARG 25 HH12 ARG 25 14.208 9.669 -12.848 77 HH21 ARG 25 HH21 ARG 25 11.578 7.885 -11.589 78 HH22 ARG 25 HH22 ARG 25 12.192 8.827 -12.952 79 H CYS 26 H CYS 26 15.823 5.844 -4.790 80 HA CYS 26 HA CYS 26 18.255 6.515 -3.477 81 HB2 CYS 26 2HB CYS 26 16.524 5.704 -2.096 82 HB3 CYS 26 3HB CYS 26 16.250 4.277 -3.090 83 H LEU 27 H LEU 27 17.495 3.495 -5.249 84 HA LEU 27 HA LEU 27 20.061 2.307 -4.806 85 HB2 LEU 27 HB2 LEU 27 17.674 1.844 -6.577 86 HB3 LEU 27 HB3 LEU 27 19.169 1.024 -7.010 87 HG LEU 27 HG LEU 27 19.319 -0.153 -5.095 88 HD11 LEU 27 HD11 LEU 27 18.900 1.327 -3.245 89 HD12 LEU 27 HD12 LEU 27 17.914 -0.118 -3.101 90 HD13 LEU 27 HD13 LEU 27 17.168 1.394 -3.655 91 HD21 LEU 27 HD21 LEU 27 16.288 0.007 -5.477 92 HD22 LEU 27 HD22 LEU 27 17.221 -1.431 -5.014 93 HD23 LEU 27 HD23 LEU 27 17.359 -0.754 -6.654 94 H ASP 28 H ASP 28 18.871 4.030 -7.648 95 HA ASP 28 HA ASP 28 21.332 4.090 -9.089 96 HB2 ASP 28 HB2 ASP 28 19.117 4.513 -10.057 97 HB3 ASP 28 HB3 ASP 28 18.982 6.010 -9.135 98 H GLU 29 H GLU 29 20.215 6.262 -6.423 99 HA GLU 29 HA GLU 29 22.388 8.134 -6.562 100 HB2 GLU 29 HB2 GLU 29 20.232 7.367 -4.694 101 HB3 GLU 29 HB3 GLU 29 21.669 7.770 -3.824 102 HG2 GLU 29 HG2 GLU 29 20.339 9.514 -5.944 103 HG3 GLU 29 HG3 GLU 29 20.023 9.603 -4.222 104 H ASN 30 H ASN 30 22.008 5.269 -4.449 105 HA ASN 30 HA ASN 30 24.877 5.461 -3.712 106 HB2 ASN 30 HB2 ASN 30 24.084 4.392 -1.577 107 HB3 ASN 30 HB3 ASN 30 23.581 6.049 -1.876 108 HD21 ASN 30 HD21 ASN 30 22.341 2.834 -2.781 109 HD22 ASN 30 HD22 ASN 30 20.654 3.352 -2.595 110 H ASN 31 H ASN 31 24.623 4.206 -6.003 111 HA ASN 31 HA ASN 31 25.469 2.423 -7.093 112 HB2 ASN 31 HB2 ASN 31 26.856 1.864 -4.448 113 HB3 ASN 31 HB3 ASN 31 27.438 1.476 -6.064 114 HD21 ASN 31 HD21 ASN 31 28.164 3.276 -7.458 115 HD22 ASN 31 HD22 ASN 31 28.721 4.738 -6.652 116 H TYR 32 H TYR 32 22.936 1.841 -6.257 117 HA TYR 32 HA TYR 32 21.382 0.319 -5.968 118 HB2 TYR 32 HB2 TYR 32 22.880 -0.510 -7.985 119 HB3 TYR 32 HB3 TYR 32 23.049 -1.933 -6.983 120 HD1 TYR 32 HD2 TYR 32 20.514 -2.537 -5.811 121 HD2 TYR 32 HD1 TYR 32 21.237 -0.603 -9.596 122 HE1 TYR 32 HE2 TYR 32 18.314 -3.316 -6.638 123 HE2 TYR 32 HE1 TYR 32 19.043 -1.412 -10.428 124 HH TYR 32 HH TYR 32 17.208 -2.728 -9.988 125 H ASP 33 H ASP 33 21.155 0.460 -3.778 126 HA ASP 33 HA ASP 33 22.313 -1.709 -2.112 127 HB2 ASP 33 HB2 ASP 33 23.084 0.787 -1.892 128 HB3 ASP 33 HB3 ASP 33 21.626 0.990 -0.955 129 H ARG 34 H ARG 34 20.279 -2.833 -2.914 130 HA ARG 34 HA ARG 34 17.679 -2.148 -1.897 131 HB2 ARG 34 HB2 ARG 34 17.987 -3.515 -3.849 132 HB3 ARG 34 HB3 ARG 34 19.023 -4.640 -2.985 133 HG2 ARG 34 HG2 ARG 34 16.889 -5.622 -3.447 134 HG3 ARG 34 HG3 ARG 34 17.206 -5.510 -1.722 135 HD2 ARG 34 HD2 ARG 34 15.699 -3.440 -1.670 136 HD3 ARG 34 HD3 ARG 34 15.339 -3.740 -3.368 137 HE ARG 34 HE ARG 34 13.862 -5.390 -2.735 138 HH11 ARG 34 HH11 ARG 34 15.956 -4.859 0.083 139 HH12 ARG 34 HH12 ARG 34 15.098 -6.106 0.984 140 HH21 ARG 34 HH21 ARG 34 12.908 -6.960 -1.436 141 HH22 ARG 34 HH22 ARG 34 13.425 -7.083 0.246 142 H GLU 35 H GLU 35 20.430 -3.398 -0.239 143 HA GLU 35 HA GLU 35 18.872 -4.560 1.980 144 HB2 GLU 35 HB2 GLU 35 21.809 -3.871 1.698 145 HB3 GLU 35 HB3 GLU 35 21.085 -4.476 3.190 146 HG2 GLU 35 HG2 GLU 35 20.322 -6.515 2.019 147 HG3 GLU 35 HG3 GLU 35 21.062 -5.938 0.519 148 H ARG 36 H ARG 36 20.426 -1.370 1.324 149 HA ARG 36 HA ARG 36 19.581 -0.228 3.906 150 HB2 ARG 36 HB2 ARG 36 20.757 0.949 1.381 151 HB3 ARG 36 HB3 ARG 36 20.098 1.952 2.676 152 HG2 ARG 36 HG2 ARG 36 21.607 0.756 4.320 153 HG3 ARG 36 HG3 ARG 36 22.397 -0.011 2.925 154 HD2 ARG 36 HD2 ARG 36 22.883 2.232 1.993 155 HD3 ARG 36 HD3 ARG 36 22.078 2.963 3.385 156 HE ARG 36 HE ARG 36 24.506 1.217 3.690 157 HH11 ARG 36 HH11 ARG 36 22.974 4.276 4.535 158 HH12 ARG 36 HH12 ARG 36 24.505 4.962 5.046 159 HH21 ARG 36 HH21 ARG 36 26.162 1.953 4.847 160 HH22 ARG 36 HH22 ARG 36 26.143 3.561 5.543 161 H CYS 37 H CYS 37 18.280 -0.130 0.581 162 HA CYS 37 HA CYS 37 15.981 1.444 1.605 163 HB2 CYS 37 2HB CYS 37 17.193 1.081 -1.089 164 HB3 CYS 37 3HB CYS 37 15.510 1.606 -0.959 165 H SER 38 H SER 38 16.224 -1.432 2.281 166 HA SER 38 HA SER 38 13.947 -2.822 1.202 167 HB2 SER 38 HB2 SER 38 14.097 -4.178 3.202 168 HB3 SER 38 HB3 SER 38 15.723 -3.902 2.551 169 HG SER 38 HG SER 38 15.264 -3.597 4.933 170 H THR 39 H THR 39 14.141 -0.053 3.279 171 HA THR 39 HA THR 39 11.678 -0.090 4.695 172 HB THR 39 HB THR 39 11.964 2.410 4.592 173 HG1 THR 39 HG1 THR 39 13.813 3.169 3.527 174 HG21 THR 39 HG21 THR 39 13.216 1.039 6.275 175 HG22 THR 39 HG22 THR 39 14.076 2.513 5.790 176 HG23 THR 39 HG23 THR 39 14.576 0.943 5.131 177 H TYR 40 H TYR 40 12.450 0.998 1.423 178 HA TYR 40 HA TYR 40 9.799 1.842 0.676 179 HB2 TYR 40 HB2 TYR 40 12.118 0.893 -1.054 180 HB3 TYR 40 HB3 TYR 40 10.649 1.658 -1.639 181 HD1 TYR 40 HD2 TYR 40 13.593 2.292 0.644 182 HD2 TYR 40 HD1 TYR 40 10.545 3.996 -1.879 183 HE1 TYR 40 HE2 TYR 40 14.559 4.545 0.994 184 HE2 TYR 40 HE1 TYR 40 11.528 6.237 -1.553 185 HH TYR 40 HH TYR 40 13.103 7.480 -0.452 186 H PHE 41 H PHE 41 11.468 -1.305 0.342 187 HA PHE 41 HA PHE 41 9.318 -2.691 -0.986 188 HB2 PHE 41 HB2 PHE 41 11.570 -3.527 -1.047 189 HB3 PHE 41 HB3 PHE 41 11.671 -3.594 0.699 190 HD1 PHE 41 HD2 PHE 41 9.594 -5.014 -2.113 191 HD2 PHE 41 HD1 PHE 41 11.383 -5.643 1.761 192 HE1 PHE 41 HE2 PHE 41 8.948 -7.414 -2.199 193 HE2 PHE 41 HE1 PHE 41 10.755 -8.044 1.660 194 HZ PHE 41 HZ PHE 41 9.560 -8.934 -0.336 195 H LEU 42 H LEU 42 10.047 -2.122 2.478 196 HA LEU 42 HA LEU 42 7.773 -3.549 3.471 197 HB2 LEU 42 HB2 LEU 42 9.357 -3.072 5.111 198 HB3 LEU 42 HB3 LEU 42 9.678 -1.467 4.500 199 HG LEU 42 HG LEU 42 7.533 -0.648 5.462 200 HD11 LEU 42 HD11 LEU 42 6.346 -1.973 7.113 201 HD12 LEU 42 HD12 LEU 42 7.438 -3.363 6.852 202 HD13 LEU 42 HD13 LEU 42 6.322 -2.830 5.576 203 HD21 LEU 42 HD21 LEU 42 8.319 -0.665 7.790 204 HD22 LEU 42 HD22 LEU 42 9.656 -0.395 6.662 205 HD23 LEU 42 HD23 LEU 42 9.441 -1.992 7.418 206 H ARG 43 H ARG 43 8.020 -0.048 2.582 207 HA ARG 43 HA ARG 43 5.199 0.387 2.990 208 HB2 ARG 43 HB2 ARG 43 7.156 1.834 1.165 209 HB3 ARG 43 HB3 ARG 43 5.478 2.343 1.458 210 HG2 ARG 43 HG2 ARG 43 5.965 2.356 3.929 211 HG3 ARG 43 HG3 ARG 43 7.644 2.000 3.566 212 HD2 ARG 43 HD2 ARG 43 7.555 4.361 3.877 213 HD3 ARG 43 HD3 ARG 43 7.633 4.148 2.122 214 HE ARG 43 HE ARG 43 5.031 4.519 3.589 215 HH11 ARG 43 HH11 ARG 43 7.135 5.838 1.034 216 HH12 ARG 43 HH12 ARG 43 5.827 6.864 0.494 217 HH21 ARG 43 HH21 ARG 43 3.628 5.876 2.919 218 HH22 ARG 43 HH22 ARG 43 3.954 7.006 1.596 219 H TYR 44 H TYR 44 6.861 -1.102 0.318 220 HA TYR 44 HA TYR 44 4.549 -1.082 -1.467 221 HB2 TYR 44 HB2 TYR 44 6.849 -1.270 -2.267 222 HB3 TYR 44 HB3 TYR 44 7.041 -2.814 -1.455 223 HD1 TYR 44 HD1 TYR 44 5.652 -4.803 -2.222 224 HD2 TYR 44 HD2 TYR 44 6.007 -1.144 -4.441 225 HE1 TYR 44 HE1 TYR 44 5.068 -6.017 -4.324 226 HE2 TYR 44 HE2 TYR 44 5.466 -2.366 -6.566 227 HH TYR 44 HH TYR 44 5.056 -4.426 -7.533 228 H LYS 45 H LYS 45 5.830 -3.503 0.884 229 HA LYS 45 HA LYS 45 3.604 -5.335 0.620 230 HB2 LYS 45 HB2 LYS 45 5.582 -4.783 2.866 231 HB3 LYS 45 HB3 LYS 45 4.251 -5.931 3.037 232 HG2 LYS 45 HG2 LYS 45 5.053 -7.194 1.062 233 HG3 LYS 45 HG3 LYS 45 6.439 -6.089 0.921 234 HD2 LYS 45 HD2 LYS 45 7.208 -6.725 3.163 235 HD3 LYS 45 HD3 LYS 45 5.791 -7.774 3.390 236 HE2 LYS 45 HE2 LYS 45 6.500 -9.199 1.515 237 HE3 LYS 45 HE3 LYS 45 7.867 -8.123 1.195 238 HZ1 LYS 45 HZ1 LYS 45 8.726 -8.660 3.409 239 HZ2 LYS 45 HZ2 LYS 45 8.592 -10.019 2.497 240 HZ3 LYS 45 HZ3 LYS 45 7.503 -9.690 3.701 241 H ASN 46 H ASN 46 3.993 -2.403 2.668 242 HA ASN 46 HA ASN 46 1.575 -2.700 4.135 243 HB2 ASN 46 HB2 ASN 46 2.836 -0.088 3.203 244 HB3 ASN 46 HB3 ASN 46 1.632 -0.263 4.461 245 HD21 ASN 46 HD21 ASN 46 3.896 1.076 5.005 246 HD22 ASN 46 HD22 ASN 46 5.020 0.125 5.965 247 H CYS 47 H CYS 47 2.104 -1.315 0.845 248 HA CYS 47 HA CYS 47 -0.559 -0.454 0.464 249 HB2 CYS 47 2HB CYS 47 1.445 -1.503 -1.604 250 HB3 CYS 47 3HB CYS 47 0.036 -0.499 -1.915 251 H ARG 48 H ARG 48 0.663 -3.694 0.318 252 HA ARG 48 HA ARG 48 -1.938 -4.720 -0.773 253 HB2 ARG 48 HB2 ARG 48 0.456 -6.313 0.261 254 HB3 ARG 48 HB3 ARG 48 -0.919 -6.941 -0.629 255 HG2 ARG 48 HG2 ARG 48 1.265 -5.094 -1.704 256 HG3 ARG 48 HG3 ARG 48 1.123 -6.822 -1.991 257 HD2 ARG 48 HD2 ARG 48 -0.819 -4.691 -2.945 258 HD3 ARG 48 HD3 ARG 48 0.379 -5.519 -3.938 259 HE ARG 48 HE ARG 48 -2.168 -6.619 -2.881 260 HH11 ARG 48 HH11 ARG 48 0.821 -7.580 -4.519 261 HH12 ARG 48 HH12 ARG 48 -0.004 -8.891 -5.341 262 HH21 ARG 48 HH21 ARG 48 -3.090 -8.281 -4.010 263 HH22 ARG 48 HH22 ARG 48 -2.081 -9.347 -4.945 264 H ARG 49 H ARG 49 0.035 -5.001 2.153 265 HA ARG 49 HA ARG 49 -1.709 -6.538 3.713 266 HB2 ARG 49 HB2 ARG 49 0.689 -6.161 4.084 267 HB3 ARG 49 HB3 ARG 49 0.384 -4.482 4.540 268 HG2 ARG 49 HG2 ARG 49 -0.685 -5.124 6.583 269 HG3 ARG 49 HG3 ARG 49 -0.845 -6.805 6.036 270 HD2 ARG 49 HD2 ARG 49 0.922 -6.537 7.739 271 HD3 ARG 49 HD3 ARG 49 1.468 -7.229 6.206 272 HE ARG 49 HE ARG 49 1.864 -4.309 6.539 273 HH11 ARG 49 HH11 ARG 49 3.351 -7.439 7.192 274 HH12 ARG 49 HH12 ARG 49 4.965 -6.819 6.903 275 HH21 ARG 49 HH21 ARG 49 4.046 -3.630 6.197 276 HH22 ARG 49 HH22 ARG 49 5.320 -4.804 6.489 277 H PHE 50 H PHE 50 -1.703 -2.937 3.417 278 HA PHE 50 HA PHE 50 -3.638 -2.457 5.492 279 HB2 PHE 50 HB2 PHE 50 -2.256 -0.718 4.383 280 HB3 PHE 50 HB3 PHE 50 -3.086 -0.969 2.879 281 HD1 PHE 50 HD2 PHE 50 -3.664 0.097 6.436 282 HD2 PHE 50 HD1 PHE 50 -5.139 0.141 2.389 283 HE1 PHE 50 HE2 PHE 50 -5.441 1.707 7.092 284 HE2 PHE 50 HE1 PHE 50 -6.916 1.735 3.042 285 HZ PHE 50 HZ PHE 50 -7.070 2.526 5.400 286 H TRP 51 H TRP 51 -4.046 -2.741 1.954 287 HA TRP 51 HA TRP 51 -6.921 -2.617 2.142 288 HB2 TRP 51 HB2 TRP 51 -5.065 -3.315 -0.146 289 HB3 TRP 51 HB3 TRP 51 -6.809 -3.210 -0.292 290 HD1 TRP 51 HD1 TRP 51 -3.779 -0.997 -0.353 291 HE1 TRP 51 HE1 TRP 51 -4.492 1.361 -0.888 292 HE3 TRP 51 HE3 TRP 51 -8.774 -1.372 0.768 293 HZ2 TRP 51 HZ2 TRP 51 -6.777 3.044 -0.397 294 HZ3 TRP 51 HZ3 TRP 51 -10.157 0.696 0.865 295 HH2 TRP 51 HH2 TRP 51 -9.165 2.905 0.291 296 H ASN 52 H ASN 52 -4.707 -5.439 2.035 297 HA ASN 52 HA ASN 52 -6.713 -7.458 2.007 298 HB2 ASN 52 HB2 ASN 52 -3.880 -7.210 3.101 299 HB3 ASN 52 HB3 ASN 52 -4.818 -8.662 3.315 300 HD21 ASN 52 HD21 ASN 52 -2.670 -9.284 2.073 301 HD22 ASN 52 HD22 ASN 52 -2.902 -9.392 0.320 302 H SER 53 H SER 53 -5.367 -5.533 4.800 303 HA SER 53 HA SER 53 -7.041 -6.819 6.755 304 HB2 SER 53 HB2 SER 53 -5.412 -4.327 6.642 305 HB3 SER 53 HB3 SER 53 -6.759 -4.327 7.793 306 HG SER 53 HG SER 53 -5.880 -5.834 8.927 307 H ILE 54 H ILE 54 -7.689 -3.924 4.694 308 HA ILE 54 HA ILE 54 -10.288 -3.376 5.795 309 HB ILE 54 HB ILE 54 -9.164 -2.918 3.009 310 HG12 ILE 54 HG12 ILE 54 -7.891 -1.729 4.714 311 HG13 ILE 54 HG13 ILE 54 -8.772 -0.623 3.699 312 HG21 ILE 54 HG21 ILE 54 -10.924 -1.203 2.740 313 HG22 ILE 54 HG22 ILE 54 -11.567 -2.839 2.794 314 HG23 ILE 54 HG23 ILE 54 -11.713 -1.797 4.227 315 HD11 ILE 54 HD11 ILE 54 -9.536 -1.445 6.544 316 HD12 ILE 54 HD12 ILE 54 -8.826 0.084 6.036 317 HD13 ILE 54 HD13 ILE 54 -10.469 -0.313 5.514 318 H VAL 55 H VAL 55 -9.309 -5.567 3.146 319 HA VAL 55 HA VAL 55 -11.941 -6.513 2.538 320 HB VAL 55 HB VAL 55 -9.133 -7.630 2.160 321 HG11 VAL 55 HG11 VAL 55 -11.681 -8.938 1.138 322 HG12 VAL 55 HG12 VAL 55 -10.034 -9.312 0.611 323 HG13 VAL 55 HG13 VAL 55 -10.512 -9.649 2.274 324 HG21 VAL 55 HG21 VAL 55 -11.251 -6.610 0.237 325 HG22 VAL 55 HG22 VAL 55 -9.884 -5.651 0.838 326 HG23 VAL 55 HG23 VAL 55 -9.587 -7.074 -0.167 327 H MET 56 H MET 56 -9.539 -7.816 4.927 328 HA MET 56 HA MET 56 -11.297 -9.901 5.853 329 HB2 MET 56 HB2 MET 56 -9.005 -8.406 7.172 330 HB3 MET 56 HB3 MET 56 -9.890 -9.702 7.979 331 HG2 MET 56 HG2 MET 56 -8.456 -9.977 5.310 332 HG3 MET 56 HG3 MET 56 -7.807 -10.481 6.868 333 HE1 MET 56 HE1 MET 56 -8.179 -12.245 4.107 334 HE2 MET 56 HE2 MET 56 -7.308 -12.803 5.553 335 HE3 MET 56 HE3 MET 56 -8.581 -13.815 4.836 336 H GLN 57 H GLN 57 -11.080 -6.485 6.737 337 HA GLN 57 HA GLN 57 -13.187 -6.642 8.740 338 HB2 GLN 57 HB2 GLN 57 -11.822 -4.292 7.372 339 HB3 GLN 57 HB3 GLN 57 -13.048 -4.126 8.627 340 HG2 GLN 57 HG2 GLN 57 -10.359 -5.525 8.975 341 HG3 GLN 57 HG3 GLN 57 -10.795 -3.931 9.579 342 HE21 GLN 57 HE21 GLN 57 -10.489 -7.142 10.592 343 HE22 GLN 57 HE22 GLN 57 -11.748 -7.095 11.848 344 H ARG 58 H ARG 58 -13.309 -6.362 5.248 345 HA ARG 58 HA ARG 58 -16.261 -5.958 5.433 346 HB2 ARG 58 HB2 ARG 58 -14.575 -6.673 2.998 347 HB3 ARG 58 HB3 ARG 58 -16.250 -6.184 3.008 348 HG2 ARG 58 HG2 ARG 58 -13.801 -4.541 3.003 349 HG3 ARG 58 HG3 ARG 58 -15.360 -4.274 2.270 350 HD2 ARG 58 HD2 ARG 58 -16.032 -3.819 4.873 351 HD3 ARG 58 HD3 ARG 58 -14.290 -3.448 4.921 352 HE ARG 58 HE ARG 58 -15.818 -2.201 2.718 353 HH11 ARG 58 HH11 ARG 58 -14.707 -1.532 6.037 354 HH12 ARG 58 HH12 ARG 58 -14.990 0.182 5.781 355 HH21 ARG 58 HH21 ARG 58 -16.326 0.007 2.710 356 HH22 ARG 58 HH22 ARG 58 -15.804 0.950 4.100 357 H ARG 59 H ARG 59 -14.050 -8.618 5.159 358 HA ARG 59 HA ARG 59 -16.021 -10.558 4.337 359 HB2 ARG 59 HB2 ARG 59 -13.676 -10.757 3.780 360 HB3 ARG 59 HB3 ARG 59 -13.245 -10.958 5.484 361 HG2 ARG 59 HG2 ARG 59 -14.204 -13.103 5.612 362 HG3 ARG 59 HG3 ARG 59 -15.213 -12.867 4.173 363 HD2 ARG 59 HD2 ARG 59 -13.331 -12.991 2.697 364 HD3 ARG 59 HD3 ARG 59 -12.174 -12.942 4.048 365 HE ARG 59 HE ARG 59 -14.021 -15.216 4.194 366 HH11 ARG 59 HH11 ARG 59 -11.018 -14.325 2.465 367 HH12 ARG 59 HH12 ARG 59 -10.479 -15.994 2.617 368 HH21 ARG 59 HH21 ARG 59 -13.138 -17.197 4.282 369 HH22 ARG 59 HH22 ARG 59 -11.615 -17.509 3.458 370 H LYS 60 H LYS 60 -14.965 -9.546 7.526 371 HA LYS 60 HA LYS 60 -16.027 -11.589 9.084 372 HB2 LYS 60 HB2 LYS 60 -16.120 -10.004 10.905 373 HB3 LYS 60 HB3 LYS 60 -14.638 -9.809 9.963 374 HG2 LYS 60 HG2 LYS 60 -15.653 -7.854 8.803 375 HG3 LYS 60 HG3 LYS 60 -17.125 -8.064 9.777 376 HD2 LYS 60 HD2 LYS 60 -15.760 -7.724 11.838 377 HD3 LYS 60 HD3 LYS 60 -14.353 -7.370 10.812 378 HE2 LYS 60 HE2 LYS 60 -15.612 -5.515 9.728 379 HE3 LYS 60 HE3 LYS 60 -17.030 -5.888 10.707 380 HZ1 LYS 60 HZ1 LYS 60 -15.789 -4.063 11.645 381 HZ2 LYS 60 HZ2 LYS 60 -14.419 -4.947 11.749 382 HZ3 LYS 60 HZ3 LYS 60 -15.730 -5.347 12.682 383 H ASN 61 H ASN 61 -18.064 -9.029 7.567 384 HA ASN 61 HA ASN 61 -20.446 -10.287 8.824 385 HB2 ASN 61 HB2 ASN 61 -20.068 -7.790 7.157 386 HB3 ASN 61 HB3 ASN 61 -21.646 -8.453 7.562 387 HD21 ASN 61 HD21 ASN 61 -18.844 -6.809 8.819 388 HD22 ASN 61 HD22 ASN 61 -19.491 -6.567 10.447 389 H GLY 62 H GLY 62 -18.669 -10.833 5.937 390 HA2 GLY 62 HA2 GLY 62 -19.045 -12.273 4.197 391 HA3 GLY 62 HA3 GLY 62 -20.405 -12.908 5.109 392 H VAL 63 H VAL 63 -20.339 -9.574 4.047 393 HA VAL 63 HA VAL 63 -23.081 -10.126 3.077 394 HB VAL 63 HB VAL 63 -22.612 -9.007 5.223 395 HG11 VAL 63 HG11 VAL 63 -20.654 -7.611 4.568 396 HG12 VAL 63 HG12 VAL 63 -21.748 -6.592 3.593 397 HG13 VAL 63 HG13 VAL 63 -21.940 -6.689 5.346 398 HG21 VAL 63 HG21 VAL 63 -24.759 -8.719 4.066 399 HG22 VAL 63 HG22 VAL 63 -24.326 -7.355 5.105 400 HG23 VAL 63 HG23 VAL 63 -24.163 -7.206 3.346 401 H LYS 64 H LYS 64 -20.247 -8.606 1.827 402 HA LYS 64 HA LYS 64 -21.641 -7.458 -0.542 403 HB2 LYS 64 HB2 LYS 64 -20.190 -5.455 -0.191 404 HB3 LYS 64 HB3 LYS 64 -21.285 -5.754 1.162 405 HG2 LYS 64 HG2 LYS 64 -19.584 -6.391 2.619 406 HG3 LYS 64 HG3 LYS 64 -18.461 -6.773 1.321 407 HD2 LYS 64 HD2 LYS 64 -17.944 -4.695 2.657 408 HD3 LYS 64 HD3 LYS 64 -17.913 -4.575 0.907 409 HE2 LYS 64 HE2 LYS 64 -18.874 -2.583 1.900 410 HE3 LYS 64 HE3 LYS 64 -20.065 -3.397 0.895 411 HZ1 LYS 64 HZ1 LYS 64 -21.277 -4.037 2.772 412 HZ2 LYS 64 HZ2 LYS 64 -20.793 -2.539 3.123 413 HZ3 LYS 64 HZ3 LYS 64 -20.008 -3.800 3.838 414 HA PRO 65 HA PRO 65 -17.778 -8.666 -2.756 415 HB2 PRO 65 HB2 PRO 65 -17.300 -6.394 -4.229 416 HB3 PRO 65 HB3 PRO 65 -18.517 -7.632 -4.672 417 HG2 PRO 65 HG2 PRO 65 -18.969 -5.019 -3.196 418 HG3 PRO 65 HG3 PRO 65 -19.847 -5.649 -4.626 419 HD2 PRO 65 HD2 PRO 65 -20.838 -5.991 -2.153 420 HD3 PRO 65 HD3 PRO 65 -20.928 -7.318 -3.339 421 H PHE 66 H PHE 66 -16.082 -8.747 -1.387 422 HA PHE 66 HA PHE 66 -15.686 -6.799 0.657 423 HB2 PHE 66 HB2 PHE 66 -13.780 -9.003 -0.193 424 HB3 PHE 66 HB3 PHE 66 -13.816 -8.188 1.358 425 HD1 PHE 66 HD1 PHE 66 -16.804 -8.247 1.905 426 HD2 PHE 66 HD2 PHE 66 -14.083 -11.210 0.410 427 HE1 PHE 66 HE1 PHE 66 -18.287 -10.020 2.786 428 HE2 PHE 66 HE2 PHE 66 -15.549 -13.018 1.352 429 HZ PHE 66 HZ PHE 66 -17.651 -12.412 2.526 430 H MET 67 H MET 67 -13.539 -7.586 -2.111 431 HA MET 67 HA MET 67 -11.650 -5.529 -1.687 432 HB2 MET 67 HB2 MET 67 -12.556 -7.089 -4.077 433 HB3 MET 67 HB3 MET 67 -11.644 -5.610 -4.373 434 HG2 MET 67 HG2 MET 67 -10.716 -7.819 -2.514 435 HG3 MET 67 HG3 MET 67 -10.242 -7.668 -4.209 436 HE1 MET 67 HE1 MET 67 -8.303 -7.922 -1.731 437 HE2 MET 67 HE2 MET 67 -7.708 -7.805 -3.396 438 HE3 MET 67 HE3 MET 67 -7.026 -6.748 -2.136 439 HA PRO 68 HA PRO 68 -14.676 -2.350 -1.764 440 HB2 PRO 68 HB2 PRO 68 -13.110 -0.119 -1.264 441 HB3 PRO 68 HB3 PRO 68 -13.562 -1.350 -0.048 442 HG2 PRO 68 HG2 PRO 68 -11.001 -1.178 -1.672 443 HG3 PRO 68 HG3 PRO 68 -11.190 -1.446 0.093 444 HD2 PRO 68 HD2 PRO 68 -10.793 -3.508 -1.616 445 HD3 PRO 68 HD3 PRO 68 -11.918 -3.662 -0.235 446 H THR 69 H THR 69 -15.679 -0.871 -3.108 447 HA THR 69 HA THR 69 -14.648 -0.613 -5.804 448 HB THR 69 HB THR 69 -16.746 0.320 -6.386 449 HG1 THR 69 HG1 THR 69 -17.565 1.636 -5.092 450 HG21 THR 69 HG21 THR 69 -18.390 -1.290 -5.613 451 HG22 THR 69 HG22 THR 69 -17.396 -1.735 -4.221 452 HG23 THR 69 HG23 THR 69 -16.849 -2.124 -5.868 453 H ALA 70 H ALA 70 -14.736 1.549 -6.898 454 HA ALA 70 HA ALA 70 -12.716 3.140 -5.921 455 HB1 ALA 70 HB1 ALA 70 -13.488 3.094 -8.257 456 HB2 ALA 70 HB2 ALA 70 -14.938 4.025 -7.805 457 HB3 ALA 70 HB3 ALA 70 -13.325 4.755 -7.659 458 H ALA 71 H ALA 71 -16.222 3.829 -5.354 459 HA ALA 71 HA ALA 71 -15.677 6.297 -3.926 460 HB1 ALA 71 HB1 ALA 71 -18.151 4.532 -3.972 461 HB2 ALA 71 HB2 ALA 71 -18.065 6.209 -3.395 462 HB3 ALA 71 HB3 ALA 71 -17.794 5.854 -5.112 463 H GLU 72 H GLU 72 -15.868 2.878 -2.902 464 HA GLU 72 HA GLU 72 -15.985 3.393 -0.054 465 HB2 GLU 72 HB2 GLU 72 -15.070 1.003 -1.690 466 HB3 GLU 72 HB3 GLU 72 -15.192 1.013 0.057 467 HG2 GLU 72 HG2 GLU 72 -17.573 1.609 -1.761 468 HG3 GLU 72 HG3 GLU 72 -17.102 -0.018 -1.312 469 H ARG 73 H ARG 73 -13.398 2.501 -2.406 470 HA ARG 73 HA ARG 73 -11.155 2.889 -0.696 471 HB2 ARG 73 HB2 ARG 73 -11.551 3.170 -3.690 472 HB3 ARG 73 HB3 ARG 73 -9.987 3.473 -2.916 473 HG2 ARG 73 HG2 ARG 73 -9.940 1.168 -2.048 474 HG3 ARG 73 HG3 ARG 73 -11.541 0.862 -2.748 475 HD2 ARG 73 HD2 ARG 73 -9.742 -0.065 -4.167 476 HD3 ARG 73 HD3 ARG 73 -10.696 1.169 -4.982 477 HE ARG 73 HE ARG 73 -8.894 2.610 -5.078 478 HH11 ARG 73 HH11 ARG 73 -7.698 -0.205 -3.258 479 HH12 ARG 73 HH12 ARG 73 -6.107 0.542 -3.208 480 HH21 ARG 73 HH21 ARG 73 -6.970 3.325 -4.957 481 HH22 ARG 73 HH22 ARG 73 -5.676 2.391 -4.173 482 H ASP 74 H ASP 74 -12.979 5.342 -2.559 483 HA ASP 74 HA ASP 74 -11.275 7.546 -1.911 484 HB2 ASP 74 HB2 ASP 74 -12.963 7.760 -3.637 485 HB3 ASP 74 HB3 ASP 74 -14.257 7.438 -2.495 486 H GLU 75 H GLU 75 -14.334 6.473 -0.231 487 HA GLU 75 HA GLU 75 -13.915 8.338 1.895 488 HB2 GLU 75 HB2 GLU 75 -15.694 7.421 3.008 489 HB3 GLU 75 HB3 GLU 75 -16.113 7.450 1.306 490 HG2 GLU 75 HG2 GLU 75 -16.151 5.133 1.133 491 HG3 GLU 75 HG3 GLU 75 -15.072 4.867 2.502 492 H ILE 76 H ILE 76 -12.585 5.147 1.455 493 HA ILE 76 HA ILE 76 -11.749 4.820 4.240 494 HB ILE 76 HB ILE 76 -11.087 3.378 1.664 495 HG12 ILE 76 HG12 ILE 76 -12.582 2.252 4.067 496 HG13 ILE 76 HG13 ILE 76 -13.431 3.258 2.918 497 HG21 ILE 76 HG21 ILE 76 -10.152 2.801 4.504 498 HG22 ILE 76 HG22 ILE 76 -10.045 1.631 3.170 499 HG23 ILE 76 HG23 ILE 76 -9.144 3.155 3.084 500 HD11 ILE 76 HD11 ILE 76 -13.860 1.123 2.138 501 HD12 ILE 76 HD12 ILE 76 -12.587 1.670 1.061 502 HD13 ILE 76 HD13 ILE 76 -12.189 0.567 2.394 503 H LEU 77 H LEU 77 -10.075 5.832 1.197 504 HA LEU 77 HA LEU 77 -7.585 6.541 2.483 505 HB2 LEU 77 HB2 LEU 77 -9.011 7.405 -0.039 506 HB3 LEU 77 HB3 LEU 77 -7.489 8.121 0.446 507 HG LEU 77 HG LEU 77 -7.871 5.120 0.025 508 HD11 LEU 77 HD11 LEU 77 -6.797 5.495 -2.157 509 HD12 LEU 77 HD12 LEU 77 -6.766 7.251 -1.834 510 HD13 LEU 77 HD13 LEU 77 -8.318 6.403 -2.005 511 HD21 LEU 77 HD21 LEU 77 -5.909 5.628 1.428 512 HD22 LEU 77 HD22 LEU 77 -5.348 6.819 0.241 513 HD23 LEU 77 HD23 LEU 77 -5.369 5.091 -0.173 514 H ARG 78 H ARG 78 -10.633 8.258 2.045 515 HA ARG 78 HA ARG 78 -9.778 10.754 3.262 516 HB2 ARG 78 HB2 ARG 78 -12.544 9.556 2.918 517 HB3 ARG 78 HB3 ARG 78 -12.261 11.125 3.660 518 HG2 ARG 78 HG2 ARG 78 -11.212 11.976 1.626 519 HG3 ARG 78 HG3 ARG 78 -11.368 10.430 0.843 520 HD2 ARG 78 HD2 ARG 78 -13.837 10.577 0.993 521 HD3 ARG 78 HD3 ARG 78 -13.693 12.156 1.776 522 HE ARG 78 HE ARG 78 -13.209 11.477 -1.065 523 HH11 ARG 78 HH11 ARG 78 -12.591 14.020 1.348 524 HH12 ARG 78 HH12 ARG 78 -12.519 15.227 0.078 525 HH21 ARG 78 HH21 ARG 78 -13.082 13.141 -2.524 526 HH22 ARG 78 HH22 ARG 78 -12.674 14.758 -1.958 527 H ALA 79 H ALA 79 -11.187 7.775 4.600 528 HA ALA 79 HA ALA 79 -11.353 8.726 7.300 529 HB1 ALA 79 HB1 ALA 79 -12.581 6.776 6.494 530 HB2 ALA 79 HB2 ALA 79 -11.063 5.882 6.241 531 HB3 ALA 79 HB3 ALA 79 -11.549 6.349 7.873 532 H VAL 80 H VAL 80 -8.644 7.234 5.508 533 HA VAL 80 HA VAL 80 -6.809 7.329 7.796 534 HB VAL 80 HB VAL 80 -6.285 7.217 4.795 535 HG11 VAL 80 HG11 VAL 80 -4.052 6.396 5.409 536 HG12 VAL 80 HG12 VAL 80 -4.294 8.027 6.032 537 HG13 VAL 80 HG13 VAL 80 -4.415 6.636 7.133 538 HG21 VAL 80 HG21 VAL 80 -7.508 5.218 5.678 539 HG22 VAL 80 HG22 VAL 80 -5.877 4.834 5.153 540 HG23 VAL 80 HG23 VAL 80 -6.236 4.994 6.889 541 H GLY 81 H GLY 81 -7.561 9.440 5.015 542 HA2 GLY 81 HA2 GLY 81 -7.633 11.743 4.875 543 HA3 GLY 81 HA3 GLY 81 -6.945 11.889 6.495 544 H ASN 82 H ASN 82 -5.180 9.711 4.738 545 HA ASN 82 HA ASN 82 -3.150 11.426 3.562 546 HB2 ASN 82 HB2 ASN 82 -2.758 11.615 6.034 547 HB3 ASN 82 HB3 ASN 82 -2.713 9.863 6.160 548 HD21 ASN 82 HD21 ASN 82 -0.648 9.870 7.080 549 HD22 ASN 82 HD22 ASN 82 0.768 10.167 6.094 550 H MET 83 H MET 83 -1.114 9.643 3.228 551 HA MET 83 HA MET 83 -2.203 7.473 1.633 552 HB2 MET 83 HB2 MET 83 -0.130 9.066 1.223 553 HB3 MET 83 HB3 MET 83 0.707 7.958 2.298 554 HG2 MET 83 HG2 MET 83 1.179 7.095 0.223 555 HG3 MET 83 HG3 MET 83 -0.197 6.097 0.671 556 HE1 MET 83 HE1 MET 83 -2.939 7.340 -0.307 557 HE2 MET 83 HE2 MET 83 -2.795 6.815 -1.991 558 HE3 MET 83 HE3 MET 83 -2.167 5.778 -0.689 559 HA PRO 84 HA PRO 84 -1.959 4.854 5.294 560 HB2 PRO 84 HB2 PRO 84 -2.821 2.456 4.243 561 HB3 PRO 84 HB3 PRO 84 -3.900 3.815 4.642 562 HG2 PRO 84 HG2 PRO 84 -2.909 2.937 1.933 563 HG3 PRO 84 HG3 PRO 84 -4.484 3.631 2.396 564 HD2 PRO 84 HD2 PRO 84 -2.391 5.109 1.275 565 HD3 PRO 84 HD3 PRO 84 -3.718 5.823 2.233 566 H TYR 85 H TYR 85 -0.002 4.720 2.608 567 HA TYR 85 HA TYR 85 1.367 2.196 3.001 568 HB2 TYR 85 HB2 TYR 85 2.397 4.647 1.598 569 HB3 TYR 85 HB3 TYR 85 2.848 2.979 1.277 570 HD1 TYR 85 HD1 TYR 85 -0.536 2.462 1.254 571 HD2 TYR 85 HD2 TYR 85 2.402 4.855 -0.807 572 HE1 TYR 85 HE1 TYR 85 -2.079 2.686 -0.703 573 HE2 TYR 85 HE2 TYR 85 0.906 4.985 -2.787 574 HH TYR 85 HH TYR 85 -2.204 3.256 -2.946 Start of MODEL 8 1 H ASN 14 H1 ASN 14 -3.602 -3.778 -2.240 2 HA ASN 14 HA ASN 14 -3.289 -2.893 -5.024 3 HB2 ASN 14 HB2 ASN 14 -3.529 -1.265 -2.465 4 HB3 ASN 14 HB3 ASN 14 -3.158 -0.602 -4.056 5 HD21 ASN 14 HD21 ASN 14 -4.803 -0.776 -5.778 6 HD22 ASN 14 HD22 ASN 14 -6.489 -0.994 -5.337 7 HA PRO 15 HA PRO 15 1.191 -2.936 -4.055 8 HB2 PRO 15 HB2 PRO 15 2.016 -2.333 -6.576 9 HB3 PRO 15 HB3 PRO 15 1.423 -3.967 -6.142 10 HG2 PRO 15 HG2 PRO 15 -0.191 -1.714 -7.394 11 HG3 PRO 15 HG3 PRO 15 0.019 -3.391 -8.008 12 HD2 PRO 15 HD2 PRO 15 -2.098 -2.715 -6.504 13 HD3 PRO 15 HD3 PRO 15 -1.281 -4.275 -6.247 14 H CYS 16 H CYS 16 2.862 -1.170 -4.453 15 HA CYS 16 HA CYS 16 1.704 1.568 -4.846 16 HB2 CYS 16 2HB CYS 16 3.537 0.510 -2.705 17 HB3 CYS 16 3HB CYS 16 3.703 2.178 -3.254 18 H LEU 17 H LEU 17 2.165 1.636 -7.014 19 HA LEU 17 HA LEU 17 4.561 0.656 -8.234 20 HB2 LEU 17 HB2 LEU 17 2.358 2.553 -9.162 21 HB3 LEU 17 HB3 LEU 17 3.724 2.154 -10.174 22 HG LEU 17 HG LEU 17 1.840 0.880 -10.847 23 HD11 LEU 17 HD11 LEU 17 3.781 -1.026 -9.482 24 HD12 LEU 17 HD12 LEU 17 4.087 -0.175 -11.017 25 HD13 LEU 17 HD13 LEU 17 2.756 -1.332 -10.895 26 HD21 LEU 17 HD21 LEU 17 1.797 -0.477 -8.130 27 HD22 LEU 17 HD22 LEU 17 0.740 -0.792 -9.519 28 HD23 LEU 17 HD23 LEU 17 0.629 0.757 -8.677 29 H SER 18 H SER 18 3.669 3.924 -7.116 30 HA SER 18 HA SER 18 6.010 5.218 -8.283 31 HB2 SER 18 HB2 SER 18 4.011 5.962 -6.177 32 HB3 SER 18 HB3 SER 18 5.362 7.039 -6.608 33 HG SER 18 HG SER 18 4.399 7.655 -8.271 34 H GLU 19 H GLU 19 5.212 4.266 -4.846 35 HA GLU 19 HA GLU 19 7.816 4.934 -3.883 36 HB2 GLU 19 HB2 GLU 19 5.551 4.201 -2.646 37 HB3 GLU 19 HB3 GLU 19 6.268 2.597 -2.736 38 HG2 GLU 19 HG2 GLU 19 6.819 3.591 -0.614 39 HG3 GLU 19 HG3 GLU 19 8.300 3.536 -1.558 40 H SER 20 H SER 20 6.582 2.098 -5.557 41 HA SER 20 HA SER 20 8.980 0.477 -5.279 42 HB2 SER 20 HB2 SER 20 6.836 -0.482 -6.008 43 HB3 SER 20 HB3 SER 20 6.941 0.434 -7.524 44 HG SER 20 HG SER 20 7.869 -1.406 -8.076 45 H ASP 21 H ASP 21 7.950 2.755 -7.910 46 HA ASP 21 HA ASP 21 10.375 2.575 -9.412 47 HB2 ASP 21 HB2 ASP 21 8.252 3.370 -10.307 48 HB3 ASP 21 HB3 ASP 21 8.269 4.755 -9.213 49 H ALA 22 H ALA 22 9.481 4.761 -6.710 50 HA ALA 22 HA ALA 22 11.824 6.397 -6.835 51 HB1 ALA 22 HB1 ALA 22 11.119 7.087 -4.607 52 HB2 ALA 22 HB2 ALA 22 9.718 6.988 -5.681 53 HB3 ALA 22 HB3 ALA 22 10.009 5.703 -4.487 54 H SER 23 H SER 23 11.151 3.344 -5.036 55 HA SER 23 HA SER 23 13.806 3.065 -3.984 56 HB2 SER 23 HB2 SER 23 13.260 0.901 -3.383 57 HB3 SER 23 HB3 SER 23 11.707 1.748 -3.350 58 HG SER 23 HG SER 23 11.303 0.882 -5.453 59 H THR 24 H THR 24 12.421 1.989 -7.135 60 HA THR 24 HA THR 24 14.682 0.638 -8.180 61 HB THR 24 HB THR 24 12.594 2.324 -9.640 62 HG1 THR 24 HG1 THR 24 11.506 0.367 -9.791 63 HG21 THR 24 HG21 THR 24 14.470 1.774 -11.157 64 HG22 THR 24 HG22 THR 24 12.989 0.911 -11.575 65 HG23 THR 24 HG23 THR 24 14.289 0.057 -10.729 66 H ARG 25 H ARG 25 13.832 4.082 -8.306 67 HA ARG 25 HA ARG 25 16.186 4.989 -9.701 68 HB2 ARG 25 HB2 ARG 25 14.043 6.346 -8.039 69 HB3 ARG 25 HB3 ARG 25 15.337 7.238 -8.847 70 HG2 ARG 25 HG2 ARG 25 14.633 6.574 -11.021 71 HG3 ARG 25 HG3 ARG 25 13.578 5.298 -10.405 72 HD2 ARG 25 HD2 ARG 25 12.101 6.905 -9.364 73 HD3 ARG 25 HD3 ARG 25 13.135 8.258 -9.861 74 HE ARG 25 HE ARG 25 11.208 6.758 -11.469 75 HH11 ARG 25 HH11 ARG 25 14.069 8.871 -11.755 76 HH12 ARG 25 HH12 ARG 25 13.515 9.452 -13.308 77 HH21 ARG 25 HH21 ARG 25 10.835 7.364 -13.585 78 HH22 ARG 25 HH22 ARG 25 11.828 8.634 -14.289 79 H CYS 26 H CYS 26 15.447 4.765 -6.208 80 HA CYS 26 HA CYS 26 17.903 5.886 -5.228 81 HB2 CYS 26 2HB CYS 26 16.262 5.475 -3.595 82 HB3 CYS 26 3HB CYS 26 15.920 3.852 -4.182 83 H LEU 27 H LEU 27 17.048 2.499 -5.997 84 HA LEU 27 HA LEU 27 19.595 1.338 -5.553 85 HB2 LEU 27 HB2 LEU 27 17.044 0.685 -7.014 86 HB3 LEU 27 HB3 LEU 27 18.455 -0.268 -7.413 87 HG LEU 27 HG LEU 27 18.744 -1.060 -5.293 88 HD11 LEU 27 HD11 LEU 27 16.722 0.796 -4.064 89 HD12 LEU 27 HD12 LEU 27 18.481 0.762 -3.773 90 HD13 LEU 27 HD13 LEU 27 17.494 -0.598 -3.273 91 HD21 LEU 27 HD21 LEU 27 15.703 -0.911 -5.528 92 HD22 LEU 27 HD22 LEU 27 16.659 -2.257 -4.856 93 HD23 LEU 27 HD23 LEU 27 16.697 -1.903 -6.597 94 H ASP 28 H ASP 28 18.238 2.579 -8.553 95 HA ASP 28 HA ASP 28 20.542 2.341 -10.223 96 HB2 ASP 28 HB2 ASP 28 18.357 2.669 -11.147 97 HB3 ASP 28 HB3 ASP 28 18.111 4.142 -10.217 98 H GLU 29 H GLU 29 19.725 5.005 -7.902 99 HA GLU 29 HA GLU 29 21.917 6.690 -8.615 100 HB2 GLU 29 HB2 GLU 29 19.829 6.500 -6.564 101 HB3 GLU 29 HB3 GLU 29 21.332 6.971 -5.828 102 HG2 GLU 29 HG2 GLU 29 20.013 8.279 -8.250 103 HG3 GLU 29 HG3 GLU 29 19.859 8.829 -6.590 104 H ASN 30 H ASN 30 21.671 4.168 -6.066 105 HA ASN 30 HA ASN 30 24.560 4.626 -5.438 106 HB2 ASN 30 HB2 ASN 30 23.764 4.281 -3.066 107 HB3 ASN 30 HB3 ASN 30 23.219 5.749 -3.866 108 HD21 ASN 30 HD21 ASN 30 22.010 2.407 -3.922 109 HD22 ASN 30 HD22 ASN 30 20.306 2.918 -3.761 110 H ASN 31 H ASN 31 24.510 2.618 -7.149 111 HA ASN 31 HA ASN 31 24.967 0.407 -7.477 112 HB2 ASN 31 HB2 ASN 31 26.989 1.448 -6.335 113 HB3 ASN 31 HB3 ASN 31 26.469 0.669 -4.851 114 HD21 ASN 31 HD21 ASN 31 28.762 -0.307 -5.148 115 HD22 ASN 31 HD22 ASN 31 28.835 -1.741 -6.164 116 H TYR 32 H TYR 32 22.450 0.353 -6.685 117 HA TYR 32 HA TYR 32 20.776 -0.842 -5.818 118 HB2 TYR 32 HB2 TYR 32 22.027 -2.498 -7.211 119 HB3 TYR 32 HB3 TYR 32 22.722 -3.150 -5.740 120 HD1 TYR 32 HD2 TYR 32 19.439 -2.373 -7.374 121 HD2 TYR 32 HD1 TYR 32 21.528 -4.844 -4.520 122 HE1 TYR 32 HE2 TYR 32 17.497 -3.912 -7.282 123 HE2 TYR 32 HE1 TYR 32 19.577 -6.386 -4.431 124 HH TYR 32 HH TYR 32 16.606 -5.799 -6.361 125 H ASP 33 H ASP 33 21.159 0.638 -3.801 126 HA ASP 33 HA ASP 33 22.033 -0.830 -1.448 127 HB2 ASP 33 HB2 ASP 33 22.618 1.582 -1.922 128 HB3 ASP 33 HB3 ASP 33 20.991 1.986 -1.343 129 H ARG 34 H ARG 34 20.191 -2.332 -2.096 130 HA ARG 34 HA ARG 34 17.493 -1.943 -1.394 131 HB2 ARG 34 HB2 ARG 34 18.524 -3.761 -2.773 132 HB3 ARG 34 HB3 ARG 34 19.206 -4.474 -1.310 133 HG2 ARG 34 HG2 ARG 34 16.937 -4.827 -0.427 134 HG3 ARG 34 HG3 ARG 34 16.255 -4.010 -1.848 135 HD2 ARG 34 HD2 ARG 34 15.963 -6.351 -2.151 136 HD3 ARG 34 HD3 ARG 34 17.253 -5.861 -3.257 137 HE ARG 34 HE ARG 34 18.514 -6.679 -0.859 138 HH11 ARG 34 HH11 ARG 34 16.254 -8.364 -3.025 139 HH12 ARG 34 HH12 ARG 34 17.036 -9.887 -2.643 140 HH21 ARG 34 HH21 ARG 34 19.428 -8.741 -0.607 141 HH22 ARG 34 HH22 ARG 34 18.601 -10.082 -1.389 142 H GLU 35 H GLU 35 20.157 -2.157 0.776 143 HA GLU 35 HA GLU 35 18.507 -2.737 3.151 144 HB2 GLU 35 HB2 GLU 35 21.391 -1.810 2.914 145 HB3 GLU 35 HB3 GLU 35 20.559 -2.200 4.424 146 HG2 GLU 35 HG2 GLU 35 20.143 -4.502 3.633 147 HG3 GLU 35 HG3 GLU 35 20.983 -4.164 2.127 148 H ARG 36 H ARG 36 20.276 0.270 2.004 149 HA ARG 36 HA ARG 36 18.987 1.933 4.009 150 HB2 ARG 36 HB2 ARG 36 20.499 2.518 1.463 151 HB3 ARG 36 HB3 ARG 36 19.545 3.789 2.190 152 HG2 ARG 36 HG2 ARG 36 21.856 3.922 2.913 153 HG3 ARG 36 HG3 ARG 36 20.743 3.712 4.264 154 HD2 ARG 36 HD2 ARG 36 21.366 1.407 4.553 155 HD3 ARG 36 HD3 ARG 36 22.275 1.387 3.043 156 HE ARG 36 HE ARG 36 23.176 2.380 5.626 157 HH11 ARG 36 HH11 ARG 36 23.828 2.508 2.151 158 HH12 ARG 36 HH12 ARG 36 25.413 3.228 2.450 159 HH21 ARG 36 HH21 ARG 36 25.200 3.443 5.787 160 HH22 ARG 36 HH22 ARG 36 26.152 3.559 4.312 161 H CYS 37 H CYS 37 18.012 1.062 0.731 162 HA CYS 37 HA CYS 37 15.495 2.583 1.119 163 HB2 CYS 37 2HB CYS 37 16.808 1.393 -1.316 164 HB3 CYS 37 3HB CYS 37 15.153 2.031 -1.329 165 H SER 38 H SER 38 16.216 -0.105 2.520 166 HA SER 38 HA SER 38 14.148 -1.927 1.695 167 HB2 SER 38 HB2 SER 38 16.181 -2.321 3.264 168 HB3 SER 38 HB3 SER 38 15.122 -1.718 4.542 169 HG SER 38 HG SER 38 15.145 -4.035 4.160 170 H THR 39 H THR 39 14.065 1.022 3.628 171 HA THR 39 HA THR 39 11.571 0.899 4.910 172 HB THR 39 HB THR 39 11.452 3.375 4.482 173 HG1 THR 39 HG1 THR 39 12.980 4.327 3.270 174 HG21 THR 39 HG21 THR 39 13.462 3.988 5.702 175 HG22 THR 39 HG22 THR 39 14.229 2.448 5.267 176 HG23 THR 39 HG23 THR 39 12.827 2.464 6.364 177 H TYR 40 H TYR 40 12.237 1.760 1.537 178 HA TYR 40 HA TYR 40 9.571 2.339 0.726 179 HB2 TYR 40 HB2 TYR 40 11.869 1.195 -0.914 180 HB3 TYR 40 HB3 TYR 40 10.376 1.839 -1.562 181 HD1 TYR 40 HD1 TYR 40 13.298 2.922 0.593 182 HD2 TYR 40 HD2 TYR 40 10.302 4.055 -2.286 183 HE1 TYR 40 HE1 TYR 40 14.367 5.149 0.351 184 HE2 TYR 40 HE2 TYR 40 11.351 6.271 -2.507 185 HH TYR 40 HH TYR 40 14.346 7.158 -0.751 186 H PHE 41 H PHE 41 11.369 -0.781 0.598 187 HA PHE 41 HA PHE 41 9.164 -2.258 -0.534 188 HB2 PHE 41 HB2 PHE 41 11.660 -3.185 0.932 189 HB3 PHE 41 HB3 PHE 41 10.519 -4.250 0.117 190 HD1 PHE 41 HD1 PHE 41 9.947 -3.623 -2.403 191 HD2 PHE 41 HD2 PHE 41 13.519 -2.389 -0.331 192 HE1 PHE 41 HE1 PHE 41 11.089 -3.253 -4.580 193 HE2 PHE 41 HE2 PHE 41 14.654 -2.013 -2.506 194 HZ PHE 41 HZ PHE 41 13.441 -2.448 -4.635 195 H LEU 42 H LEU 42 10.241 -1.790 2.866 196 HA LEU 42 HA LEU 42 8.135 -3.341 4.019 197 HB2 LEU 42 HB2 LEU 42 9.960 -2.688 5.432 198 HB3 LEU 42 HB3 LEU 42 9.833 -1.001 4.953 199 HG LEU 42 HG LEU 42 7.755 -0.734 6.238 200 HD11 LEU 42 HD11 LEU 42 6.860 -3.044 6.181 201 HD12 LEU 42 HD12 LEU 42 7.013 -2.448 7.822 202 HD13 LEU 42 HD13 LEU 42 8.217 -3.596 7.187 203 HD21 LEU 42 HD21 LEU 42 9.988 -1.962 7.889 204 HD22 LEU 42 HD22 LEU 42 8.746 -0.822 8.448 205 HD23 LEU 42 HD23 LEU 42 9.957 -0.294 7.272 206 H ARG 43 H ARG 43 8.157 0.149 3.160 207 HA ARG 43 HA ARG 43 5.399 0.434 3.984 208 HB2 ARG 43 HB2 ARG 43 7.155 2.179 2.240 209 HB3 ARG 43 HB3 ARG 43 5.496 2.576 2.772 210 HG2 ARG 43 HG2 ARG 43 6.140 2.359 5.111 211 HG3 ARG 43 HG3 ARG 43 7.772 1.889 4.670 212 HD2 ARG 43 HD2 ARG 43 7.611 4.256 5.402 213 HD3 ARG 43 HD3 ARG 43 8.238 4.095 3.758 214 HE ARG 43 HE ARG 43 5.418 4.887 4.493 215 HH11 ARG 43 HH11 ARG 43 8.029 5.194 2.116 216 HH12 ARG 43 HH12 ARG 43 6.881 5.790 0.928 217 HH21 ARG 43 HH21 ARG 43 4.209 5.905 2.998 218 HH22 ARG 43 HH22 ARG 43 4.896 6.323 1.444 219 H TYR 44 H TYR 44 6.798 -0.786 1.096 220 HA TYR 44 HA TYR 44 4.284 -0.727 -0.444 221 HB2 TYR 44 HB2 TYR 44 6.314 -0.872 -1.682 222 HB3 TYR 44 HB3 TYR 44 6.847 -2.308 -0.818 223 HD1 TYR 44 HD2 TYR 44 5.409 -4.450 -1.034 224 HD2 TYR 44 HD1 TYR 44 5.235 -1.117 -3.760 225 HE1 TYR 44 HE2 TYR 44 4.329 -5.908 -2.737 226 HE2 TYR 44 HE1 TYR 44 4.223 -2.604 -5.500 227 HH TYR 44 HH TYR 44 3.564 -4.755 -6.024 228 H LYS 45 H LYS 45 5.910 -3.180 1.661 229 HA LYS 45 HA LYS 45 3.713 -5.052 1.623 230 HB2 LYS 45 HB2 LYS 45 5.825 -4.532 3.761 231 HB3 LYS 45 HB3 LYS 45 4.630 -5.817 3.814 232 HG2 LYS 45 HG2 LYS 45 5.524 -6.673 1.603 233 HG3 LYS 45 HG3 LYS 45 6.851 -5.506 1.767 234 HD2 LYS 45 HD2 LYS 45 7.375 -6.535 4.027 235 HD3 LYS 45 HD3 LYS 45 6.121 -7.749 3.703 236 HE2 LYS 45 HE2 LYS 45 7.403 -8.331 1.565 237 HE3 LYS 45 HE3 LYS 45 8.701 -7.273 2.149 238 HZ1 LYS 45 HZ1 LYS 45 9.210 -9.462 2.872 239 HZ2 LYS 45 HZ2 LYS 45 7.680 -9.750 3.417 240 HZ3 LYS 45 HZ3 LYS 45 8.654 -8.719 4.222 241 H ASN 46 H ASN 46 4.198 -2.091 3.532 242 HA ASN 46 HA ASN 46 1.826 -2.441 5.135 243 HB2 ASN 46 HB2 ASN 46 3.252 0.148 4.434 244 HB3 ASN 46 HB3 ASN 46 2.056 -0.072 5.694 245 HD21 ASN 46 HD21 ASN 46 4.604 0.993 6.286 246 HD22 ASN 46 HD22 ASN 46 5.502 -0.191 7.183 247 H CYS 47 H CYS 47 2.288 -0.658 1.956 248 HA CYS 47 HA CYS 47 -0.366 0.136 1.563 249 HB2 CYS 47 2HB CYS 47 1.425 -1.162 -0.553 250 HB3 CYS 47 3HB CYS 47 0.039 -0.131 -0.834 251 H ARG 48 H ARG 48 1.093 -3.025 0.803 252 HA ARG 48 HA ARG 48 -1.335 -4.278 -0.104 253 HB2 ARG 48 HB2 ARG 48 1.248 -5.467 1.021 254 HB3 ARG 48 HB3 ARG 48 0.013 -6.405 0.200 255 HG2 ARG 48 HG2 ARG 48 1.379 -4.045 -1.180 256 HG3 ARG 48 HG3 ARG 48 2.146 -5.621 -1.106 257 HD2 ARG 48 HD2 ARG 48 -0.627 -5.166 -2.271 258 HD3 ARG 48 HD3 ARG 48 0.857 -5.147 -3.228 259 HE ARG 48 HE ARG 48 -0.437 -7.495 -1.960 260 HH11 ARG 48 HH11 ARG 48 2.279 -6.512 -4.077 261 HH12 ARG 48 HH12 ARG 48 2.780 -8.185 -4.147 262 HH21 ARG 48 HH21 ARG 48 0.477 -9.437 -2.054 263 HH22 ARG 48 HH22 ARG 48 1.850 -9.711 -3.109 264 H ARG 49 H ARG 49 0.283 -4.478 3.098 265 HA ARG 49 HA ARG 49 -1.660 -6.137 4.357 266 HB2 ARG 49 HB2 ARG 49 0.531 -5.799 5.332 267 HB3 ARG 49 HB3 ARG 49 0.249 -4.060 5.498 268 HG2 ARG 49 HG2 ARG 49 -1.493 -4.440 7.161 269 HG3 ARG 49 HG3 ARG 49 -1.372 -6.193 6.969 270 HD2 ARG 49 HD2 ARG 49 1.074 -4.570 7.730 271 HD3 ARG 49 HD3 ARG 49 -0.187 -4.889 8.933 272 HE ARG 49 HE ARG 49 0.759 -7.294 7.534 273 HH11 ARG 49 HH11 ARG 49 1.490 -5.254 10.295 274 HH12 ARG 49 HH12 ARG 49 1.880 -6.642 11.303 275 HH21 ARG 49 HH21 ARG 49 1.442 -8.876 8.688 276 HH22 ARG 49 HH22 ARG 49 2.079 -8.667 10.321 277 H PHE 50 H PHE 50 -1.622 -2.520 4.169 278 HA PHE 50 HA PHE 50 -3.891 -2.128 5.833 279 HB2 PHE 50 HB2 PHE 50 -2.444 -0.307 4.983 280 HB3 PHE 50 HB3 PHE 50 -3.017 -0.561 3.359 281 HD1 PHE 50 HD2 PHE 50 -4.280 0.248 6.819 282 HD2 PHE 50 HD1 PHE 50 -4.973 0.529 2.577 283 HE1 PHE 50 HE2 PHE 50 -6.319 1.608 7.235 284 HE2 PHE 50 HE1 PHE 50 -7.009 1.881 2.992 285 HZ PHE 50 HZ PHE 50 -7.693 2.408 5.325 286 H TRP 51 H TRP 51 -3.802 -2.297 2.257 287 HA TRP 51 HA TRP 51 -6.679 -2.339 2.103 288 HB2 TRP 51 HB2 TRP 51 -4.542 -2.871 0.033 289 HB3 TRP 51 HB3 TRP 51 -6.262 -2.874 -0.316 290 HD1 TRP 51 HD1 TRP 51 -3.401 -0.500 -0.125 291 HE1 TRP 51 HE1 TRP 51 -4.205 1.881 -0.541 292 HE3 TRP 51 HE3 TRP 51 -8.433 -1.144 0.744 293 HZ2 TRP 51 HZ2 TRP 51 -6.592 3.390 -0.178 294 HZ3 TRP 51 HZ3 TRP 51 -9.908 0.857 0.866 295 HH2 TRP 51 HH2 TRP 51 -9.002 3.127 0.403 296 H ASN 52 H ASN 52 -4.354 -5.071 2.216 297 HA ASN 52 HA ASN 52 -6.301 -7.147 1.867 298 HB2 ASN 52 HB2 ASN 52 -3.581 -6.913 3.218 299 HB3 ASN 52 HB3 ASN 52 -4.495 -8.385 3.234 300 HD21 ASN 52 HD21 ASN 52 -1.859 -7.928 1.966 301 HD22 ASN 52 HD22 ASN 52 -2.135 -8.310 0.264 302 H SER 53 H SER 53 -5.335 -5.237 4.766 303 HA SER 53 HA SER 53 -6.975 -6.730 6.594 304 HB2 SER 53 HB2 SER 53 -5.132 -5.369 7.378 305 HB3 SER 53 HB3 SER 53 -5.902 -3.895 6.769 306 HG SER 53 HG SER 53 -6.180 -4.597 9.125 307 H ILE 54 H ILE 54 -7.673 -3.797 4.582 308 HA ILE 54 HA ILE 54 -10.391 -3.474 5.485 309 HB ILE 54 HB ILE 54 -9.104 -2.843 2.801 310 HG12 ILE 54 HG12 ILE 54 -8.052 -1.609 4.650 311 HG13 ILE 54 HG13 ILE 54 -8.911 -0.561 3.553 312 HG21 ILE 54 HG21 ILE 54 -11.012 -1.220 2.527 313 HG22 ILE 54 HG22 ILE 54 -11.462 -2.922 2.399 314 HG23 ILE 54 HG23 ILE 54 -11.822 -2.023 3.888 315 HD11 ILE 54 HD11 ILE 54 -9.217 0.116 5.892 316 HD12 ILE 54 HD12 ILE 54 -10.770 -0.352 5.188 317 HD13 ILE 54 HD13 ILE 54 -9.915 -1.460 6.293 318 H VAL 55 H VAL 55 -9.013 -5.418 2.813 319 HA VAL 55 HA VAL 55 -11.387 -6.682 1.935 320 HB VAL 55 HB VAL 55 -8.493 -7.541 1.988 321 HG11 VAL 55 HG11 VAL 55 -9.715 -9.661 1.986 322 HG12 VAL 55 HG12 VAL 55 -10.738 -9.085 0.650 323 HG13 VAL 55 HG13 VAL 55 -9.004 -9.328 0.410 324 HG21 VAL 55 HG21 VAL 55 -8.530 -7.030 -0.331 325 HG22 VAL 55 HG22 VAL 55 -10.297 -6.853 -0.347 326 HG23 VAL 55 HG23 VAL 55 -9.289 -5.660 0.488 327 H MET 56 H MET 56 -9.192 -7.776 4.627 328 HA MET 56 HA MET 56 -10.897 -9.963 5.369 329 HB2 MET 56 HB2 MET 56 -8.766 -8.408 6.854 330 HB3 MET 56 HB3 MET 56 -9.672 -9.715 7.620 331 HG2 MET 56 HG2 MET 56 -8.079 -10.007 5.047 332 HG3 MET 56 HG3 MET 56 -7.511 -10.457 6.654 333 HE1 MET 56 HE1 MET 56 -7.645 -12.326 3.964 334 HE2 MET 56 HE2 MET 56 -6.863 -12.779 5.496 335 HE3 MET 56 HE3 MET 56 -8.045 -13.874 4.742 336 H GLN 57 H GLN 57 -10.980 -6.567 6.373 337 HA GLN 57 HA GLN 57 -13.078 -6.958 8.356 338 HB2 GLN 57 HB2 GLN 57 -11.929 -4.444 7.066 339 HB3 GLN 57 HB3 GLN 57 -13.211 -4.421 8.271 340 HG2 GLN 57 HG2 GLN 57 -10.372 -5.390 8.679 341 HG3 GLN 57 HG3 GLN 57 -11.137 -3.986 9.405 342 HE21 GLN 57 HE21 GLN 57 -9.996 -6.834 10.313 343 HE22 GLN 57 HE22 GLN 57 -11.255 -7.379 11.434 344 H ARG 58 H ARG 58 -13.134 -6.617 4.927 345 HA ARG 58 HA ARG 58 -16.114 -6.412 5.001 346 HB2 ARG 58 HB2 ARG 58 -14.059 -6.456 2.779 347 HB3 ARG 58 HB3 ARG 58 -15.819 -6.389 2.512 348 HG2 ARG 58 HG2 ARG 58 -15.981 -4.269 3.700 349 HG3 ARG 58 HG3 ARG 58 -14.278 -4.306 4.150 350 HD2 ARG 58 HD2 ARG 58 -13.526 -3.988 1.956 351 HD3 ARG 58 HD3 ARG 58 -15.086 -4.429 1.245 352 HE ARG 58 HE ARG 58 -14.732 -1.944 2.901 353 HH11 ARG 58 HH11 ARG 58 -15.976 -3.341 -0.168 354 HH12 ARG 58 HH12 ARG 58 -16.771 -1.801 -0.491 355 HH21 ARG 58 HH21 ARG 58 -15.706 -0.209 2.301 356 HH22 ARG 58 HH22 ARG 58 -16.632 -0.137 0.793 357 H ARG 59 H ARG 59 -13.641 -8.775 4.307 358 HA ARG 59 HA ARG 59 -15.370 -10.837 3.302 359 HB2 ARG 59 HB2 ARG 59 -13.021 -10.826 2.800 360 HB3 ARG 59 HB3 ARG 59 -12.598 -10.991 4.510 361 HG2 ARG 59 HG2 ARG 59 -13.374 -13.201 4.635 362 HG3 ARG 59 HG3 ARG 59 -14.275 -13.102 3.109 363 HD2 ARG 59 HD2 ARG 59 -12.346 -13.148 1.798 364 HD3 ARG 59 HD3 ARG 59 -11.274 -12.737 3.161 365 HE ARG 59 HE ARG 59 -12.585 -15.223 3.715 366 HH11 ARG 59 HH11 ARG 59 -9.977 -13.954 1.694 367 HH12 ARG 59 HH12 ARG 59 -9.187 -15.527 1.664 368 HH21 ARG 59 HH21 ARG 59 -11.601 -17.237 3.202 369 HH22 ARG 59 HH22 ARG 59 -9.993 -17.191 2.509 370 H LYS 60 H LYS 60 -14.551 -10.011 6.611 371 HA LYS 60 HA LYS 60 -15.619 -12.178 8.012 372 HB2 LYS 60 HB2 LYS 60 -16.023 -10.673 9.807 373 HB3 LYS 60 HB3 LYS 60 -14.570 -10.119 8.959 374 HG2 LYS 60 HG2 LYS 60 -16.043 -8.380 7.817 375 HG3 LYS 60 HG3 LYS 60 -17.347 -8.912 8.914 376 HD2 LYS 60 HD2 LYS 60 -15.855 -8.484 10.854 377 HD3 LYS 60 HD3 LYS 60 -14.631 -7.835 9.752 378 HE2 LYS 60 HE2 LYS 60 -16.347 -6.116 9.006 379 HE3 LYS 60 HE3 LYS 60 -17.426 -6.725 10.265 380 HZ1 LYS 60 HZ1 LYS 60 -16.110 -4.807 11.007 381 HZ2 LYS 60 HZ2 LYS 60 -14.704 -5.654 10.802 382 HZ3 LYS 60 HZ3 LYS 60 -15.808 -6.120 11.916 383 H ASN 61 H ASN 61 -17.470 -9.855 6.099 384 HA ASN 61 HA ASN 61 -20.007 -10.898 7.154 385 HB2 ASN 61 HB2 ASN 61 -19.334 -8.524 5.437 386 HB3 ASN 61 HB3 ASN 61 -20.981 -9.062 5.801 387 HD21 ASN 61 HD21 ASN 61 -18.577 -7.101 6.881 388 HD22 ASN 61 HD22 ASN 61 -19.201 -6.850 8.512 389 H GLY 62 H GLY 62 -17.993 -11.663 4.451 390 HA2 GLY 62 HA2 GLY 62 -18.292 -13.107 2.687 391 HA3 GLY 62 HA3 GLY 62 -19.624 -13.762 3.630 392 H VAL 63 H VAL 63 -19.828 -10.482 2.441 393 HA VAL 63 HA VAL 63 -22.137 -11.292 0.735 394 HB VAL 63 HB VAL 63 -22.670 -10.707 3.045 395 HG11 VAL 63 HG11 VAL 63 -22.447 -8.497 3.953 396 HG12 VAL 63 HG12 VAL 63 -20.832 -9.011 3.440 397 HG13 VAL 63 HG13 VAL 63 -21.764 -7.857 2.459 398 HG21 VAL 63 HG21 VAL 63 -24.453 -9.187 2.638 399 HG22 VAL 63 HG22 VAL 63 -23.691 -8.568 1.163 400 HG23 VAL 63 HG23 VAL 63 -24.285 -10.249 1.240 401 H LYS 64 H LYS 64 -19.683 -8.752 1.067 402 HA LYS 64 HA LYS 64 -20.794 -7.311 -1.327 403 HB2 LYS 64 HB2 LYS 64 -19.935 -5.297 -0.238 404 HB3 LYS 64 HB3 LYS 64 -21.070 -6.121 0.809 405 HG2 LYS 64 HG2 LYS 64 -19.409 -6.727 2.356 406 HG3 LYS 64 HG3 LYS 64 -18.119 -6.737 1.150 407 HD2 LYS 64 HD2 LYS 64 -17.805 -4.869 2.592 408 HD3 LYS 64 HD3 LYS 64 -18.177 -4.328 0.953 409 HE2 LYS 64 HE2 LYS 64 -20.660 -4.176 1.762 410 HE3 LYS 64 HE3 LYS 64 -20.043 -4.399 3.400 411 HZ1 LYS 64 HZ1 LYS 64 -20.385 -2.076 2.902 412 HZ2 LYS 64 HZ2 LYS 64 -19.448 -2.140 1.570 413 HZ3 LYS 64 HZ3 LYS 64 -18.778 -2.311 3.084 414 HA PRO 65 HA PRO 65 -16.676 -7.406 -3.214 415 HB2 PRO 65 HB2 PRO 65 -16.170 -4.752 -3.786 416 HB3 PRO 65 HB3 PRO 65 -17.212 -5.839 -4.770 417 HG2 PRO 65 HG2 PRO 65 -18.077 -3.870 -2.635 418 HG3 PRO 65 HG3 PRO 65 -18.710 -4.061 -4.308 419 HD2 PRO 65 HD2 PRO 65 -19.982 -5.219 -2.298 420 HD3 PRO 65 HD3 PRO 65 -19.707 -6.156 -3.783 421 H PHE 66 H PHE 66 -15.445 -8.067 -1.611 422 HA PHE 66 HA PHE 66 -14.588 -6.688 0.688 423 HB2 PHE 66 HB2 PHE 66 -12.942 -8.722 -0.828 424 HB3 PHE 66 HB3 PHE 66 -12.839 -8.314 0.869 425 HD1 PHE 66 HD2 PHE 66 -16.125 -8.449 1.099 426 HD2 PHE 66 HD1 PHE 66 -12.966 -11.019 -0.330 427 HE1 PHE 66 HE2 PHE 66 -17.544 -10.443 1.509 428 HE2 PHE 66 HE1 PHE 66 -14.378 -13.023 0.139 429 HZ PHE 66 HZ PHE 66 -16.641 -12.739 1.073 430 H MET 67 H MET 67 -12.909 -7.037 -2.455 431 HA MET 67 HA MET 67 -11.066 -4.864 -1.937 432 HB2 MET 67 HB2 MET 67 -11.970 -6.342 -4.403 433 HB3 MET 67 HB3 MET 67 -11.095 -4.819 -4.568 434 HG2 MET 67 HG2 MET 67 -10.099 -7.173 -2.934 435 HG3 MET 67 HG3 MET 67 -9.600 -6.812 -4.586 436 HE1 MET 67 HE1 MET 67 -6.983 -6.772 -3.909 437 HE2 MET 67 HE2 MET 67 -6.479 -6.047 -2.358 438 HE3 MET 67 HE3 MET 67 -7.680 -7.365 -2.385 439 HA PRO 68 HA PRO 68 -14.507 -1.900 -2.071 440 HB2 PRO 68 HB2 PRO 68 -13.042 0.376 -1.474 441 HB3 PRO 68 HB3 PRO 68 -13.585 -0.814 -0.256 442 HG2 PRO 68 HG2 PRO 68 -10.892 -0.701 -1.659 443 HG3 PRO 68 HG3 PRO 68 -11.225 -0.827 0.103 444 HD2 PRO 68 HD2 PRO 68 -10.629 -2.955 -1.387 445 HD3 PRO 68 HD3 PRO 68 -11.914 -3.052 -0.140 446 H THR 69 H THR 69 -15.289 -0.387 -3.524 447 HA THR 69 HA THR 69 -13.831 -0.089 -6.041 448 HB THR 69 HB THR 69 -15.898 0.916 -6.886 449 HG1 THR 69 HG1 THR 69 -16.936 0.330 -4.297 450 HG21 THR 69 HG21 THR 69 -17.205 -1.036 -6.946 451 HG22 THR 69 HG22 THR 69 -16.629 -1.622 -5.365 452 HG23 THR 69 HG23 THR 69 -15.546 -1.616 -6.779 453 H ALA 70 H ALA 70 -13.851 2.043 -7.138 454 HA ALA 70 HA ALA 70 -11.935 3.526 -5.926 455 HB1 ALA 70 HB1 ALA 70 -12.259 5.198 -7.705 456 HB2 ALA 70 HB2 ALA 70 -12.436 3.548 -8.329 457 HB3 ALA 70 HB3 ALA 70 -13.877 4.549 -8.036 458 H ALA 71 H ALA 71 -15.377 4.600 -5.851 459 HA ALA 71 HA ALA 71 -14.843 6.952 -4.275 460 HB1 ALA 71 HB1 ALA 71 -17.293 7.042 -4.071 461 HB2 ALA 71 HB2 ALA 71 -16.809 6.670 -5.736 462 HB3 ALA 71 HB3 ALA 71 -17.422 5.378 -4.681 463 H GLU 72 H GLU 72 -15.383 3.576 -3.357 464 HA GLU 72 HA GLU 72 -15.876 4.040 -0.539 465 HB2 GLU 72 HB2 GLU 72 -14.918 1.541 -1.955 466 HB3 GLU 72 HB3 GLU 72 -15.461 1.670 -0.292 467 HG2 GLU 72 HG2 GLU 72 -17.721 2.328 -1.077 468 HG3 GLU 72 HG3 GLU 72 -17.179 2.212 -2.755 469 H ARG 73 H ARG 73 -13.066 3.084 -2.601 470 HA ARG 73 HA ARG 73 -11.069 3.189 -0.566 471 HB2 ARG 73 HB2 ARG 73 -10.839 3.741 -3.562 472 HB3 ARG 73 HB3 ARG 73 -9.462 3.588 -2.456 473 HG2 ARG 73 HG2 ARG 73 -10.300 1.336 -1.792 474 HG3 ARG 73 HG3 ARG 73 -11.558 1.459 -3.028 475 HD2 ARG 73 HD2 ARG 73 -9.918 0.146 -4.017 476 HD3 ARG 73 HD3 ARG 73 -9.680 1.728 -4.735 477 HE ARG 73 HE ARG 73 -7.983 0.366 -2.690 478 HH11 ARG 73 HH11 ARG 73 -8.194 3.027 -5.020 479 HH12 ARG 73 HH12 ARG 73 -6.517 3.439 -4.778 480 HH21 ARG 73 HH21 ARG 73 -5.876 0.980 -2.487 481 HH22 ARG 73 HH22 ARG 73 -5.223 2.178 -3.588 482 H ASP 74 H ASP 74 -12.355 5.840 -2.554 483 HA ASP 74 HA ASP 74 -10.681 7.895 -1.511 484 HB2 ASP 74 HB2 ASP 74 -12.044 8.207 -3.482 485 HB3 ASP 74 HB3 ASP 74 -13.521 7.954 -2.576 486 H GLU 75 H GLU 75 -14.021 6.932 -0.354 487 HA GLU 75 HA GLU 75 -13.861 8.730 1.883 488 HB2 GLU 75 HB2 GLU 75 -15.827 7.844 2.694 489 HB3 GLU 75 HB3 GLU 75 -15.995 7.879 0.947 490 HG2 GLU 75 HG2 GLU 75 -15.653 5.502 0.809 491 HG3 GLU 75 HG3 GLU 75 -15.279 5.340 2.514 492 H ILE 76 H ILE 76 -12.697 5.446 1.518 493 HA ILE 76 HA ILE 76 -12.164 4.956 4.325 494 HB ILE 76 HB ILE 76 -11.251 3.676 1.737 495 HG12 ILE 76 HG12 ILE 76 -12.995 2.442 3.909 496 HG13 ILE 76 HG13 ILE 76 -13.700 3.523 2.729 497 HG21 ILE 76 HG21 ILE 76 -10.384 1.791 3.162 498 HG22 ILE 76 HG22 ILE 76 -9.449 3.286 3.296 499 HG23 ILE 76 HG23 ILE 76 -10.586 2.838 4.586 500 HD11 ILE 76 HD11 ILE 76 -12.457 0.825 2.197 501 HD12 ILE 76 HD12 ILE 76 -14.087 1.446 1.810 502 HD13 ILE 76 HD13 ILE 76 -12.703 2.009 0.893 503 H LEU 77 H LEU 77 -10.071 6.065 1.592 504 HA LEU 77 HA LEU 77 -7.727 6.542 3.186 505 HB2 LEU 77 HB2 LEU 77 -8.846 7.645 0.599 506 HB3 LEU 77 HB3 LEU 77 -7.351 8.287 1.273 507 HG LEU 77 HG LEU 77 -7.734 5.303 0.782 508 HD11 LEU 77 HD11 LEU 77 -6.550 5.658 -1.358 509 HD12 LEU 77 HD12 LEU 77 -6.602 7.416 -1.075 510 HD13 LEU 77 HD13 LEU 77 -8.107 6.514 -1.309 511 HD21 LEU 77 HD21 LEU 77 -5.249 5.330 0.720 512 HD22 LEU 77 HD22 LEU 77 -5.863 5.935 2.272 513 HD23 LEU 77 HD23 LEU 77 -5.265 7.077 1.053 514 H ARG 78 H ARG 78 -10.598 8.506 2.567 515 HA ARG 78 HA ARG 78 -9.761 10.804 4.137 516 HB2 ARG 78 HB2 ARG 78 -12.416 9.756 3.166 517 HB3 ARG 78 HB3 ARG 78 -12.328 11.140 4.255 518 HG2 ARG 78 HG2 ARG 78 -11.311 12.525 2.718 519 HG3 ARG 78 HG3 ARG 78 -10.656 11.211 1.752 520 HD2 ARG 78 HD2 ARG 78 -12.612 12.561 0.750 521 HD3 ARG 78 HD3 ARG 78 -12.665 10.798 0.648 522 HE ARG 78 HE ARG 78 -14.042 11.824 3.014 523 HH11 ARG 78 HH11 ARG 78 -14.598 11.008 -0.410 524 HH12 ARG 78 HH12 ARG 78 -16.303 10.734 -0.036 525 HH21 ARG 78 HH21 ARG 78 -16.084 11.328 3.286 526 HH22 ARG 78 HH22 ARG 78 -17.107 10.914 1.895 527 H ALA 79 H ALA 79 -11.420 7.766 4.984 528 HA ALA 79 HA ALA 79 -11.851 8.477 7.738 529 HB1 ALA 79 HB1 ALA 79 -12.412 6.141 8.050 530 HB2 ALA 79 HB2 ALA 79 -13.117 6.703 6.527 531 HB3 ALA 79 HB3 ALA 79 -11.652 5.699 6.515 532 H VAL 80 H VAL 80 -8.984 7.100 6.091 533 HA VAL 80 HA VAL 80 -7.509 6.715 8.606 534 HB VAL 80 HB VAL 80 -6.522 6.979 5.733 535 HG11 VAL 80 HG11 VAL 80 -5.120 5.913 8.225 536 HG12 VAL 80 HG12 VAL 80 -4.482 5.866 6.566 537 HG13 VAL 80 HG13 VAL 80 -4.711 7.416 7.364 538 HG21 VAL 80 HG21 VAL 80 -7.006 4.489 7.429 539 HG22 VAL 80 HG22 VAL 80 -7.975 4.991 6.031 540 HG23 VAL 80 HG23 VAL 80 -6.289 4.533 5.799 541 H GLY 81 H GLY 81 -7.773 9.250 6.095 542 HA2 GLY 81 HA2 GLY 81 -7.629 11.547 6.320 543 HA3 GLY 81 HA3 GLY 81 -7.311 11.365 8.046 544 H ASN 82 H ASN 82 -5.303 9.457 6.149 545 HA ASN 82 HA ASN 82 -3.201 11.285 5.444 546 HB2 ASN 82 HB2 ASN 82 -2.776 11.115 7.892 547 HB3 ASN 82 HB3 ASN 82 -2.824 9.357 7.801 548 HD21 ASN 82 HD21 ASN 82 -1.040 12.087 6.211 549 HD22 ASN 82 HD22 ASN 82 0.510 11.267 6.271 550 H MET 83 H MET 83 -1.337 9.902 4.436 551 HA MET 83 HA MET 83 -2.282 7.777 2.787 552 HB2 MET 83 HB2 MET 83 -0.256 9.396 2.534 553 HB3 MET 83 HB3 MET 83 0.589 8.296 3.604 554 HG2 MET 83 HG2 MET 83 1.251 7.530 1.569 555 HG3 MET 83 HG3 MET 83 -0.120 6.464 1.823 556 HE1 MET 83 HE1 MET 83 -2.007 6.245 0.294 557 HE2 MET 83 HE2 MET 83 -2.793 7.772 0.763 558 HE3 MET 83 HE3 MET 83 -2.559 7.385 -0.953 559 HA PRO 84 HA PRO 84 -2.188 4.784 6.151 560 HB2 PRO 84 HB2 PRO 84 -2.809 2.477 4.773 561 HB3 PRO 84 HB3 PRO 84 -3.992 3.717 5.270 562 HG2 PRO 84 HG2 PRO 84 -2.825 3.222 2.545 563 HG3 PRO 84 HG3 PRO 84 -4.445 3.814 2.997 564 HD2 PRO 84 HD2 PRO 84 -2.328 5.447 2.165 565 HD3 PRO 84 HD3 PRO 84 -3.730 6.033 3.105 566 H TYR 85 H TYR 85 0.011 5.071 3.679 567 HA TYR 85 HA TYR 85 1.922 3.170 4.944 568 HB2 TYR 85 HB2 TYR 85 3.001 3.047 2.634 569 HB3 TYR 85 HB3 TYR 85 1.562 2.110 2.953 570 HD1 TYR 85 HD2 TYR 85 -0.621 2.713 2.007 571 HD2 TYR 85 HD1 TYR 85 2.987 4.764 0.881 572 HE1 TYR 85 HE2 TYR 85 -1.736 3.521 -0.060 573 HE2 TYR 85 HE1 TYR 85 1.886 5.555 -1.206 574 HH TYR 85 HH TYR 85 -1.520 4.841 -2.000 Start of MODEL 9 1 H ASN 14 H1 ASN 14 -5.308 -3.222 -2.453 2 HA ASN 14 HA ASN 14 -3.788 -3.007 -4.250 3 HB2 ASN 14 HB2 ASN 14 -3.759 -0.625 -2.343 4 HB3 ASN 14 HB3 ASN 14 -3.236 -0.581 -4.029 5 HD21 ASN 14 HD21 ASN 14 -4.827 0.084 -5.488 6 HD22 ASN 14 HD22 ASN 14 -6.534 -0.269 -5.244 7 HA PRO 15 HA PRO 15 0.582 -3.590 -3.194 8 HB2 PRO 15 HB2 PRO 15 1.511 -3.504 -5.762 9 HB3 PRO 15 HB3 PRO 15 0.740 -4.960 -5.060 10 HG2 PRO 15 HG2 PRO 15 -0.545 -2.823 -6.803 11 HG3 PRO 15 HG3 PRO 15 -0.646 -4.604 -6.975 12 HD2 PRO 15 HD2 PRO 15 -2.547 -3.092 -5.761 13 HD3 PRO 15 HD3 PRO 15 -2.173 -4.751 -5.187 14 H CYS 16 H CYS 16 2.363 -2.119 -3.228 15 HA CYS 16 HA CYS 16 1.399 0.662 -3.402 16 HB2 CYS 16 2HB CYS 16 2.734 -0.845 -1.444 17 HB3 CYS 16 3HB CYS 16 3.891 0.381 -1.963 18 H LEU 17 H LEU 17 1.609 0.572 -5.766 19 HA LEU 17 HA LEU 17 4.102 0.349 -7.077 20 HB2 LEU 17 HB2 LEU 17 1.428 1.553 -7.831 21 HB3 LEU 17 HB3 LEU 17 2.807 1.784 -8.882 22 HG LEU 17 HG LEU 17 1.415 -0.043 -9.636 23 HD11 LEU 17 HD11 LEU 17 3.132 -1.687 -10.052 24 HD12 LEU 17 HD12 LEU 17 4.104 -1.121 -8.689 25 HD13 LEU 17 HD13 LEU 17 3.860 -0.075 -10.106 26 HD21 LEU 17 HD21 LEU 17 0.618 -0.862 -7.436 27 HD22 LEU 17 HD22 LEU 17 2.232 -1.568 -7.135 28 HD23 LEU 17 HD23 LEU 17 1.239 -2.151 -8.481 29 H SER 18 H SER 18 2.619 3.315 -5.706 30 HA SER 18 HA SER 18 4.546 5.123 -6.909 31 HB2 SER 18 HB2 SER 18 2.892 5.416 -4.406 32 HB3 SER 18 HB3 SER 18 3.706 6.745 -5.250 33 HG SER 18 HG SER 18 1.292 6.026 -5.655 34 H GLU 19 H GLU 19 4.248 3.620 -3.655 35 HA GLU 19 HA GLU 19 6.686 4.665 -2.581 36 HB2 GLU 19 HB2 GLU 19 4.623 3.284 -1.524 37 HB3 GLU 19 HB3 GLU 19 5.673 1.917 -1.855 38 HG2 GLU 19 HG2 GLU 19 6.132 2.493 0.366 39 HG3 GLU 19 HG3 GLU 19 7.495 3.166 -0.527 40 H SER 20 H SER 20 5.971 1.943 -4.678 41 HA SER 20 HA SER 20 8.692 0.836 -4.684 42 HB2 SER 20 HB2 SER 20 6.445 0.340 -6.654 43 HB3 SER 20 HB3 SER 20 7.942 -0.600 -6.489 44 HG SER 20 HG SER 20 5.824 -0.256 -4.640 45 H ASP 21 H ASP 21 6.996 3.228 -6.728 46 HA ASP 21 HA ASP 21 9.180 3.503 -8.624 47 HB2 ASP 21 HB2 ASP 21 6.565 4.791 -8.086 48 HB3 ASP 21 HB3 ASP 21 7.788 5.889 -8.682 49 H ALA 22 H ALA 22 8.441 5.037 -5.459 50 HA ALA 22 HA ALA 22 10.675 6.883 -5.568 51 HB1 ALA 22 HB1 ALA 22 8.647 7.189 -4.160 52 HB2 ALA 22 HB2 ALA 22 9.126 5.784 -3.184 53 HB3 ALA 22 HB3 ALA 22 10.147 7.243 -3.229 54 H SER 23 H SER 23 10.204 3.584 -4.203 55 HA SER 23 HA SER 23 12.846 3.047 -3.328 56 HB2 SER 23 HB2 SER 23 10.829 1.587 -3.038 57 HB3 SER 23 HB3 SER 23 10.916 1.171 -4.745 58 HG SER 23 HG SER 23 11.872 -0.412 -3.681 59 H THR 24 H THR 24 11.443 2.603 -6.615 60 HA THR 24 HA THR 24 13.784 1.814 -7.989 61 HB THR 24 HB THR 24 11.509 3.520 -9.078 62 HG1 THR 24 HG1 THR 24 10.773 1.566 -8.169 63 HG21 THR 24 HG21 THR 24 12.047 2.391 -11.229 64 HG22 THR 24 HG22 THR 24 13.479 1.652 -10.476 65 HG23 THR 24 HG23 THR 24 13.378 3.414 -10.679 66 H ARG 25 H ARG 25 12.607 5.168 -7.357 67 HA ARG 25 HA ARG 25 14.812 6.460 -8.701 68 HB2 ARG 25 HB2 ARG 25 12.798 7.354 -6.615 69 HB3 ARG 25 HB3 ARG 25 14.057 8.441 -7.210 70 HG2 ARG 25 HG2 ARG 25 13.217 8.531 -9.371 71 HG3 ARG 25 HG3 ARG 25 12.431 6.956 -9.263 72 HD2 ARG 25 HD2 ARG 25 10.719 7.867 -7.747 73 HD3 ARG 25 HD3 ARG 25 11.500 9.457 -7.804 74 HE ARG 25 HE ARG 25 10.480 9.862 -9.818 75 HH11 ARG 25 HH11 ARG 25 10.269 6.400 -9.267 76 HH12 ARG 25 HH12 ARG 25 9.268 6.154 -10.692 77 HH21 ARG 25 HH21 ARG 25 9.490 9.359 -11.831 78 HH22 ARG 25 HH22 ARG 25 9.070 7.687 -12.143 79 H CYS 26 H CYS 26 14.474 5.468 -5.274 80 HA CYS 26 HA CYS 26 17.057 6.396 -4.430 81 HB2 CYS 26 2HB CYS 26 15.493 5.657 -2.767 82 HB3 CYS 26 3HB CYS 26 15.320 4.072 -3.524 83 H LEU 27 H LEU 27 16.070 3.301 -5.904 84 HA LEU 27 HA LEU 27 18.647 2.066 -5.864 85 HB2 LEU 27 HB2 LEU 27 15.974 1.697 -7.206 86 HB3 LEU 27 HB3 LEU 27 17.324 0.766 -7.809 87 HG LEU 27 HG LEU 27 17.615 -0.400 -5.937 88 HD11 LEU 27 HD11 LEU 27 17.875 1.093 -4.112 89 HD12 LEU 27 HD12 LEU 27 16.651 -0.092 -3.685 90 HD13 LEU 27 HD13 LEU 27 16.146 1.533 -4.157 91 HD21 LEU 27 HD21 LEU 27 14.645 0.140 -5.540 92 HD22 LEU 27 HD22 LEU 27 15.495 -1.410 -5.376 93 HD23 LEU 27 HD23 LEU 27 15.243 -0.676 -6.978 94 H ASP 28 H ASP 28 17.059 3.842 -8.446 95 HA ASP 28 HA ASP 28 19.256 3.978 -10.278 96 HB2 ASP 28 HB2 ASP 28 16.859 4.579 -10.720 97 HB3 ASP 28 HB3 ASP 28 17.116 6.083 -9.838 98 H GLU 29 H GLU 29 18.554 6.088 -7.410 99 HA GLU 29 HA GLU 29 20.804 7.811 -7.726 100 HB2 GLU 29 HB2 GLU 29 18.761 7.194 -5.720 101 HB3 GLU 29 HB3 GLU 29 20.301 7.413 -4.943 102 HG2 GLU 29 HG2 GLU 29 19.104 9.381 -6.945 103 HG3 GLU 29 HG3 GLU 29 18.841 9.446 -5.206 104 H ASN 30 H ASN 30 20.603 4.625 -6.052 105 HA ASN 30 HA ASN 30 23.569 4.644 -5.747 106 HB2 ASN 30 HB2 ASN 30 23.048 3.557 -3.498 107 HB3 ASN 30 HB3 ASN 30 22.824 5.290 -3.632 108 HD21 ASN 30 HD21 ASN 30 20.881 2.357 -4.178 109 HD22 ASN 30 HD22 ASN 30 19.379 3.076 -3.599 110 H ASN 31 H ASN 31 23.449 3.280 -7.768 111 HA ASN 31 HA ASN 31 23.904 1.252 -8.709 112 HB2 ASN 31 HB2 ASN 31 25.028 1.011 -5.904 113 HB3 ASN 31 HB3 ASN 31 25.393 -0.160 -7.165 114 HD21 ASN 31 HD21 ASN 31 26.168 3.036 -5.987 115 HD22 ASN 31 HD22 ASN 31 27.303 3.382 -7.286 116 H TYR 32 H TYR 32 21.170 1.228 -7.677 117 HA TYR 32 HA TYR 32 19.456 -0.040 -7.161 118 HB2 TYR 32 HB2 TYR 32 20.567 -1.161 -9.342 119 HB3 TYR 32 HB3 TYR 32 20.490 -2.566 -8.311 120 HD1 TYR 32 HD2 TYR 32 18.038 -2.800 -7.038 121 HD2 TYR 32 HD1 TYR 32 18.763 -0.642 -10.708 122 HE1 TYR 32 HE2 TYR 32 15.662 -3.044 -7.661 123 HE2 TYR 32 HE1 TYR 32 16.371 -0.891 -11.324 124 HH TYR 32 HH TYR 32 14.295 -1.717 -10.710 125 H ASP 33 H ASP 33 21.178 0.286 -5.060 126 HA ASP 33 HA ASP 33 21.523 -2.082 -3.502 127 HB2 ASP 33 HB2 ASP 33 22.905 0.033 -3.444 128 HB3 ASP 33 HB3 ASP 33 21.632 0.758 -2.462 129 H ARG 34 H ARG 34 19.400 -2.685 -4.012 130 HA ARG 34 HA ARG 34 17.000 -1.994 -2.712 131 HB2 ARG 34 HB2 ARG 34 16.316 -4.288 -3.074 132 HB3 ARG 34 HB3 ARG 34 17.110 -3.641 -4.495 133 HG2 ARG 34 HG2 ARG 34 18.977 -5.044 -4.252 134 HG3 ARG 34 HG3 ARG 34 18.726 -5.277 -2.522 135 HD2 ARG 34 HD2 ARG 34 18.171 -7.330 -3.715 136 HD3 ARG 34 HD3 ARG 34 16.772 -6.659 -2.900 137 HE ARG 34 HE ARG 34 15.757 -6.079 -4.927 138 HH11 ARG 34 HH11 ARG 34 18.812 -7.732 -5.572 139 HH12 ARG 34 HH12 ARG 34 18.235 -8.369 -7.091 140 HH21 ARG 34 HH21 ARG 34 15.299 -6.601 -7.092 141 HH22 ARG 34 HH22 ARG 34 16.343 -7.720 -7.919 142 H GLU 35 H GLU 35 19.795 -3.124 -1.079 143 HA GLU 35 HA GLU 35 18.268 -3.905 1.349 144 HB2 GLU 35 HB2 GLU 35 21.201 -3.912 0.668 145 HB3 GLU 35 HB3 GLU 35 20.562 -4.322 2.260 146 HG2 GLU 35 HG2 GLU 35 19.329 -6.206 1.402 147 HG3 GLU 35 HG3 GLU 35 19.636 -5.745 -0.277 148 H ARG 36 H ARG 36 20.353 -1.191 0.208 149 HA ARG 36 HA ARG 36 20.074 0.359 2.677 150 HB2 ARG 36 HB2 ARG 36 20.895 1.042 -0.147 151 HB3 ARG 36 HB3 ARG 36 20.557 2.298 1.057 152 HG2 ARG 36 HG2 ARG 36 22.128 1.176 2.654 153 HG3 ARG 36 HG3 ARG 36 22.587 0.051 1.364 154 HD2 ARG 36 HD2 ARG 36 23.432 1.891 0.007 155 HD3 ARG 36 HD3 ARG 36 22.748 3.066 1.148 156 HE ARG 36 HE ARG 36 24.548 2.776 2.585 157 HH11 ARG 36 HH11 ARG 36 24.746 0.022 0.319 158 HH12 ARG 36 HH12 ARG 36 26.243 -0.471 1.117 159 HH21 ARG 36 HH21 ARG 36 26.323 2.004 3.415 160 HH22 ARG 36 HH22 ARG 36 27.092 0.574 2.719 161 H CYS 37 H CYS 37 18.089 0.040 -0.240 162 HA CYS 37 HA CYS 37 16.002 1.640 1.208 163 HB2 CYS 37 2HB CYS 37 16.660 1.409 -1.687 164 HB3 CYS 37 3HB CYS 37 15.006 1.814 -1.202 165 H SER 38 H SER 38 16.521 -1.264 1.665 166 HA SER 38 HA SER 38 14.176 -2.777 0.917 167 HB2 SER 38 HB2 SER 38 16.320 -3.649 1.976 168 HB3 SER 38 HB3 SER 38 15.756 -2.979 3.510 169 HG SER 38 HG SER 38 14.621 -5.018 1.887 170 H THR 39 H THR 39 14.724 -0.254 3.363 171 HA THR 39 HA THR 39 12.375 -0.660 4.872 172 HB THR 39 HB THR 39 14.420 0.900 5.224 173 HG1 THR 39 HG1 THR 39 13.222 0.818 6.887 174 HG21 THR 39 HG21 THR 39 12.443 2.940 4.132 175 HG22 THR 39 HG22 THR 39 14.021 2.514 3.421 176 HG23 THR 39 HG23 THR 39 13.940 3.273 5.015 177 H TYR 40 H TYR 40 12.676 0.863 1.702 178 HA TYR 40 HA TYR 40 9.979 1.986 1.610 179 HB2 TYR 40 HB2 TYR 40 11.873 1.114 -0.617 180 HB3 TYR 40 HB3 TYR 40 10.309 1.852 -0.864 181 HD1 TYR 40 HD1 TYR 40 13.389 2.654 1.192 182 HD2 TYR 40 HD2 TYR 40 10.384 4.021 -1.574 183 HE1 TYR 40 HE1 TYR 40 14.462 4.899 1.135 184 HE2 TYR 40 HE2 TYR 40 11.533 6.216 -1.741 185 HH TYR 40 HH TYR 40 13.396 7.434 -1.137 186 H PHE 41 H PHE 41 11.469 -1.097 0.620 187 HA PHE 41 HA PHE 41 9.053 -2.295 -0.379 188 HB2 PHE 41 HB2 PHE 41 11.268 -3.018 -1.059 189 HB3 PHE 41 HB3 PHE 41 11.663 -3.497 0.585 190 HD1 PHE 41 HD2 PHE 41 8.758 -4.130 -1.771 191 HD2 PHE 41 HD1 PHE 41 11.778 -5.792 0.828 192 HE1 PHE 41 HE2 PHE 41 7.881 -6.404 -2.212 193 HE2 PHE 41 HE1 PHE 41 10.902 -8.076 0.371 194 HZ PHE 41 HZ PHE 41 8.935 -8.373 -1.126 195 H LEU 42 H LEU 42 10.476 -2.149 2.880 196 HA LEU 42 HA LEU 42 8.453 -3.769 4.143 197 HB2 LEU 42 HB2 LEU 42 10.422 -3.417 5.399 198 HB3 LEU 42 HB3 LEU 42 10.455 -1.700 5.049 199 HG LEU 42 HG LEU 42 8.598 -1.281 6.592 200 HD11 LEU 42 HD11 LEU 42 7.839 -3.001 8.160 201 HD12 LEU 42 HD12 LEU 42 8.814 -4.233 7.319 202 HD13 LEU 42 HD13 LEU 42 7.428 -3.463 6.511 203 HD21 LEU 42 HD21 LEU 42 9.856 -1.730 8.657 204 HD22 LEU 42 HD22 LEU 42 10.926 -1.158 7.369 205 HD23 LEU 42 HD23 LEU 42 10.889 -2.886 7.795 206 H ARG 43 H ARG 43 8.588 -0.197 3.565 207 HA ARG 43 HA ARG 43 5.919 0.219 4.567 208 HB2 ARG 43 HB2 ARG 43 7.502 1.854 2.557 209 HB3 ARG 43 HB3 ARG 43 5.938 2.321 3.259 210 HG2 ARG 43 HG2 ARG 43 6.964 1.965 5.554 211 HG3 ARG 43 HG3 ARG 43 8.509 1.777 4.802 212 HD2 ARG 43 HD2 ARG 43 6.692 4.219 4.843 213 HD3 ARG 43 HD3 ARG 43 8.233 4.057 5.665 214 HE ARG 43 HE ARG 43 7.748 4.532 2.752 215 HH11 ARG 43 HH11 ARG 43 10.259 4.237 5.241 216 HH12 ARG 43 HH12 ARG 43 11.278 5.403 4.422 217 HH21 ARG 43 HH21 ARG 43 9.113 6.047 1.872 218 HH22 ARG 43 HH22 ARG 43 10.742 6.205 2.484 219 H TYR 44 H TYR 44 6.988 -1.022 1.511 220 HA TYR 44 HA TYR 44 4.354 -0.970 0.253 221 HB2 TYR 44 HB2 TYR 44 6.185 -1.151 -1.191 222 HB3 TYR 44 HB3 TYR 44 6.884 -2.497 -0.329 223 HD1 TYR 44 HD2 TYR 44 5.752 -4.798 -0.425 224 HD2 TYR 44 HD1 TYR 44 4.877 -1.534 -3.087 225 HE1 TYR 44 HE2 TYR 44 4.813 -6.401 -2.098 226 HE2 TYR 44 HE1 TYR 44 3.979 -3.135 -4.769 227 HH TYR 44 HH TYR 44 3.652 -5.345 -5.301 228 H LYS 45 H LYS 45 6.051 -3.532 2.162 229 HA LYS 45 HA LYS 45 3.719 -5.261 2.250 230 HB2 LYS 45 HB2 LYS 45 6.167 -5.125 4.049 231 HB3 LYS 45 HB3 LYS 45 4.883 -6.334 4.186 232 HG2 LYS 45 HG2 LYS 45 5.295 -6.956 1.758 233 HG3 LYS 45 HG3 LYS 45 6.718 -5.906 1.792 234 HD2 LYS 45 HD2 LYS 45 7.648 -7.285 3.663 235 HD3 LYS 45 HD3 LYS 45 6.235 -8.357 3.546 236 HE2 LYS 45 HE2 LYS 45 6.824 -8.921 1.219 237 HE3 LYS 45 HE3 LYS 45 8.172 -7.779 1.269 238 HZ1 LYS 45 HZ1 LYS 45 9.222 -9.181 2.978 239 HZ2 LYS 45 HZ2 LYS 45 8.932 -10.037 1.601 240 HZ3 LYS 45 HZ3 LYS 45 7.991 -10.266 2.909 241 H ASN 46 H ASN 46 4.597 -2.440 4.205 242 HA ASN 46 HA ASN 46 2.490 -2.809 6.149 243 HB2 ASN 46 HB2 ASN 46 3.813 -0.208 5.275 244 HB3 ASN 46 HB3 ASN 46 2.849 -0.443 6.712 245 HD21 ASN 46 HD21 ASN 46 5.457 0.593 6.697 246 HD22 ASN 46 HD22 ASN 46 6.546 -0.567 7.456 247 H CYS 47 H CYS 47 2.538 -0.962 2.976 248 HA CYS 47 HA CYS 47 -0.135 -0.078 2.987 249 HB2 CYS 47 2HB CYS 47 1.239 -1.375 0.600 250 HB3 CYS 47 3HB CYS 47 -0.015 -0.150 0.595 251 H ARG 48 H ARG 48 1.240 -3.213 2.005 252 HA ARG 48 HA ARG 48 -1.114 -4.442 1.076 253 HB2 ARG 48 HB2 ARG 48 1.505 -5.526 1.942 254 HB3 ARG 48 HB3 ARG 48 0.150 -6.568 1.413 255 HG2 ARG 48 HG2 ARG 48 -0.112 -5.320 -0.658 256 HG3 ARG 48 HG3 ARG 48 1.039 -4.094 -0.134 257 HD2 ARG 48 HD2 ARG 48 2.048 -5.390 -1.694 258 HD3 ARG 48 HD3 ARG 48 2.795 -5.703 -0.113 259 HE ARG 48 HE ARG 48 2.218 -7.949 -0.297 260 HH11 ARG 48 HH11 ARG 48 -0.041 -6.457 -2.525 261 HH12 ARG 48 HH12 ARG 48 0.121 -7.709 -3.702 262 HH21 ARG 48 HH21 ARG 48 1.981 -9.743 -1.600 263 HH22 ARG 48 HH22 ARG 48 1.059 -9.623 -3.062 264 H ARG 49 H ARG 49 0.352 -4.581 4.365 265 HA ARG 49 HA ARG 49 -1.665 -6.197 5.586 266 HB2 ARG 49 HB2 ARG 49 0.510 -5.834 6.599 267 HB3 ARG 49 HB3 ARG 49 0.180 -4.110 6.814 268 HG2 ARG 49 HG2 ARG 49 -1.625 -4.585 8.376 269 HG3 ARG 49 HG3 ARG 49 -1.502 -6.325 8.088 270 HD2 ARG 49 HD2 ARG 49 0.709 -4.601 9.276 271 HD3 ARG 49 HD3 ARG 49 -0.460 -5.486 10.243 272 HE ARG 49 HE ARG 49 1.781 -6.572 8.667 273 HH11 ARG 49 HH11 ARG 49 -1.018 -7.413 10.663 274 HH12 ARG 49 HH12 ARG 49 -0.320 -8.949 11.102 275 HH21 ARG 49 HH21 ARG 49 2.266 -8.735 8.852 276 HH22 ARG 49 HH22 ARG 49 1.361 -9.761 9.942 277 H PHE 50 H PHE 50 -1.532 -2.602 5.304 278 HA PHE 50 HA PHE 50 -3.915 -2.052 6.771 279 HB2 PHE 50 HB2 PHE 50 -2.358 -0.302 6.014 280 HB3 PHE 50 HB3 PHE 50 -2.736 -0.616 4.349 281 HD1 PHE 50 HD2 PHE 50 -4.301 0.529 7.565 282 HD2 PHE 50 HD1 PHE 50 -4.591 0.399 3.265 283 HE1 PHE 50 HE2 PHE 50 -6.265 2.055 7.642 284 HE2 PHE 50 HE1 PHE 50 -6.561 1.898 3.346 285 HZ PHE 50 HZ PHE 50 -7.408 2.721 5.538 286 H TRP 51 H TRP 51 -3.533 -2.331 3.243 287 HA TRP 51 HA TRP 51 -6.345 -2.359 2.760 288 HB2 TRP 51 HB2 TRP 51 -4.023 -3.197 1.016 289 HB3 TRP 51 HB3 TRP 51 -5.694 -3.121 0.472 290 HD1 TRP 51 HD1 TRP 51 -2.691 -0.937 0.701 291 HE1 TRP 51 HE1 TRP 51 -3.239 1.400 -0.015 292 HE3 TRP 51 HE3 TRP 51 -7.795 -1.117 1.250 293 HZ2 TRP 51 HZ2 TRP 51 -5.548 3.150 0.000 294 HZ3 TRP 51 HZ3 TRP 51 -9.119 0.980 1.033 295 HH2 TRP 51 HH2 TRP 51 -8.011 3.112 0.410 296 H ASN 52 H ASN 52 -4.200 -5.192 3.417 297 HA ASN 52 HA ASN 52 -6.248 -7.167 3.017 298 HB2 ASN 52 HB2 ASN 52 -3.622 -6.998 4.499 299 HB3 ASN 52 HB3 ASN 52 -4.747 -8.243 4.964 300 HD21 ASN 52 HD21 ASN 52 -2.928 -6.992 2.214 301 HD22 ASN 52 HD22 ASN 52 -2.956 -8.504 1.313 302 H SER 53 H SER 53 -5.525 -5.002 5.765 303 HA SER 53 HA SER 53 -7.406 -6.226 7.576 304 HB2 SER 53 HB2 SER 53 -6.554 -3.312 7.582 305 HB3 SER 53 HB3 SER 53 -7.202 -4.264 8.921 306 HG SER 53 HG SER 53 -4.754 -4.799 7.543 307 H ILE 54 H ILE 54 -7.721 -3.536 5.177 308 HA ILE 54 HA ILE 54 -10.529 -3.066 5.648 309 HB ILE 54 HB ILE 54 -8.821 -2.680 3.161 310 HG12 ILE 54 HG12 ILE 54 -7.970 -1.354 5.012 311 HG13 ILE 54 HG13 ILE 54 -8.693 -0.333 3.802 312 HG21 ILE 54 HG21 ILE 54 -10.554 -1.051 2.434 313 HG22 ILE 54 HG22 ILE 54 -11.118 -2.719 2.431 314 HG23 ILE 54 HG23 ILE 54 -11.615 -1.630 3.741 315 HD11 ILE 54 HD11 ILE 54 -10.724 -0.067 5.246 316 HD12 ILE 54 HD12 ILE 54 -9.955 -1.098 6.480 317 HD13 ILE 54 HD13 ILE 54 -9.236 0.460 6.049 318 H VAL 55 H VAL 55 -8.864 -5.309 3.402 319 HA VAL 55 HA VAL 55 -11.155 -6.513 2.261 320 HB VAL 55 HB VAL 55 -8.370 -7.524 2.843 321 HG11 VAL 55 HG11 VAL 55 -9.651 -9.573 2.861 322 HG12 VAL 55 HG12 VAL 55 -10.536 -9.083 1.402 323 HG13 VAL 55 HG13 VAL 55 -8.799 -9.433 1.325 324 HG21 VAL 55 HG21 VAL 55 -9.787 -6.963 0.228 325 HG22 VAL 55 HG22 VAL 55 -8.804 -5.762 1.085 326 HG23 VAL 55 HG23 VAL 55 -8.058 -7.252 0.498 327 H MET 56 H MET 56 -9.447 -7.511 5.319 328 HA MET 56 HA MET 56 -11.401 -9.529 5.896 329 HB2 MET 56 HB2 MET 56 -9.276 -8.139 7.532 330 HB3 MET 56 HB3 MET 56 -10.436 -9.229 8.304 331 HG2 MET 56 HG2 MET 56 -8.692 -9.991 5.932 332 HG3 MET 56 HG3 MET 56 -8.339 -10.379 7.615 333 HE1 MET 56 HE1 MET 56 -9.331 -13.849 5.963 334 HE2 MET 56 HE2 MET 56 -8.518 -12.490 5.155 335 HE3 MET 56 HE3 MET 56 -8.055 -12.949 6.811 336 H GLN 57 H GLN 57 -11.354 -6.089 6.737 337 HA GLN 57 HA GLN 57 -13.749 -6.281 8.384 338 HB2 GLN 57 HB2 GLN 57 -12.344 -3.859 7.198 339 HB3 GLN 57 HB3 GLN 57 -13.723 -3.792 8.292 340 HG2 GLN 57 HG2 GLN 57 -10.926 -4.772 8.960 341 HG3 GLN 57 HG3 GLN 57 -11.767 -3.378 9.605 342 HE21 GLN 57 HE21 GLN 57 -10.948 -6.645 10.265 343 HE22 GLN 57 HE22 GLN 57 -12.370 -7.065 11.222 344 H ARG 58 H ARG 58 -13.285 -6.103 4.923 345 HA ARG 58 HA ARG 58 -16.245 -5.828 4.635 346 HB2 ARG 58 HB2 ARG 58 -13.954 -6.015 2.638 347 HB3 ARG 58 HB3 ARG 58 -15.659 -6.098 2.150 348 HG2 ARG 58 HG2 ARG 58 -16.144 -3.947 3.081 349 HG3 ARG 58 HG3 ARG 58 -14.528 -3.804 3.798 350 HD2 ARG 58 HD2 ARG 58 -13.470 -3.367 1.795 351 HD3 ARG 58 HD3 ARG 58 -14.695 -4.185 0.839 352 HE ARG 58 HE ARG 58 -15.365 -2.060 0.362 353 HH11 ARG 58 HH11 ARG 58 -15.149 -1.892 3.966 354 HH12 ARG 58 HH12 ARG 58 -15.715 -0.250 3.856 355 HH21 ARG 58 HH21 ARG 58 -16.236 -0.248 0.500 356 HH22 ARG 58 HH22 ARG 58 -16.455 0.612 2.023 357 H ARG 59 H ARG 59 -13.841 -8.339 4.525 358 HA ARG 59 HA ARG 59 -15.535 -10.421 3.519 359 HB2 ARG 59 HB2 ARG 59 -13.090 -10.476 3.444 360 HB3 ARG 59 HB3 ARG 59 -13.034 -10.673 5.205 361 HG2 ARG 59 HG2 ARG 59 -13.987 -12.832 5.110 362 HG3 ARG 59 HG3 ARG 59 -14.510 -12.645 3.425 363 HD2 ARG 59 HD2 ARG 59 -12.248 -12.694 2.615 364 HD3 ARG 59 HD3 ARG 59 -11.583 -12.619 4.261 365 HE ARG 59 HE ARG 59 -13.245 -14.938 4.066 366 HH11 ARG 59 HH11 ARG 59 -10.107 -13.919 2.750 367 HH12 ARG 59 HH12 ARG 59 -9.597 -15.579 2.612 368 HH21 ARG 59 HH21 ARG 59 -12.493 -16.880 3.962 369 HH22 ARG 59 HH22 ARG 59 -10.878 -17.245 3.351 370 H LYS 60 H LYS 60 -15.311 -9.112 6.758 371 HA LYS 60 HA LYS 60 -16.690 -11.015 8.258 372 HB2 LYS 60 HB2 LYS 60 -17.312 -9.402 9.736 373 HB3 LYS 60 HB3 LYS 60 -15.792 -8.818 9.055 374 HG2 LYS 60 HG2 LYS 60 -17.086 -7.242 7.606 375 HG3 LYS 60 HG3 LYS 60 -18.589 -7.898 8.263 376 HD2 LYS 60 HD2 LYS 60 -18.272 -5.907 9.422 377 HD3 LYS 60 HD3 LYS 60 -17.870 -7.225 10.549 378 HE2 LYS 60 HE2 LYS 60 -15.515 -6.809 10.333 379 HE3 LYS 60 HE3 LYS 60 -15.760 -5.794 8.907 380 HZ1 LYS 60 HZ1 LYS 60 -16.802 -4.954 11.562 381 HZ2 LYS 60 HZ2 LYS 60 -16.553 -4.040 10.209 382 HZ3 LYS 60 HZ3 LYS 60 -15.288 -4.595 11.041 383 H ASN 61 H ASN 61 -18.093 -9.094 5.643 384 HA ASN 61 HA ASN 61 -20.755 -10.268 6.246 385 HB2 ASN 61 HB2 ASN 61 -19.888 -7.749 4.833 386 HB3 ASN 61 HB3 ASN 61 -21.472 -8.462 4.537 387 HD21 ASN 61 HD21 ASN 61 -19.810 -6.370 6.584 388 HD22 ASN 61 HD22 ASN 61 -20.999 -6.363 7.889 389 H GLY 62 H GLY 62 -18.153 -10.905 4.139 390 HA2 GLY 62 HA2 GLY 62 -17.949 -12.473 2.469 391 HA3 GLY 62 HA3 GLY 62 -19.478 -13.096 3.057 392 H VAL 63 H VAL 63 -19.645 -9.935 1.737 393 HA VAL 63 HA VAL 63 -21.589 -11.045 -0.183 394 HB VAL 63 HB VAL 63 -22.399 -9.869 1.734 395 HG11 VAL 63 HG11 VAL 63 -22.066 -7.489 2.110 396 HG12 VAL 63 HG12 VAL 63 -20.513 -8.315 2.180 397 HG13 VAL 63 HG13 VAL 63 -20.961 -7.376 0.733 398 HG21 VAL 63 HG21 VAL 63 -22.911 -8.100 -0.676 399 HG22 VAL 63 HG22 VAL 63 -23.695 -9.671 -0.378 400 HG23 VAL 63 HG23 VAL 63 -23.931 -8.317 0.745 401 H LYS 64 H LYS 64 -18.800 -8.948 -0.379 402 HA LYS 64 HA LYS 64 -19.417 -8.212 -3.207 403 HB2 LYS 64 HB2 LYS 64 -18.500 -5.987 -2.653 404 HB3 LYS 64 HB3 LYS 64 -19.911 -6.379 -1.666 405 HG2 LYS 64 HG2 LYS 64 -18.684 -6.574 0.298 406 HG3 LYS 64 HG3 LYS 64 -17.164 -6.907 -0.524 407 HD2 LYS 64 HD2 LYS 64 -17.421 -4.636 0.617 408 HD3 LYS 64 HD3 LYS 64 -16.739 -4.686 -1.009 409 HE2 LYS 64 HE2 LYS 64 -18.829 -3.946 -2.006 410 HE3 LYS 64 HE3 LYS 64 -19.686 -4.115 -0.465 411 HZ1 LYS 64 HZ1 LYS 64 -19.119 -1.818 -0.938 412 HZ2 LYS 64 HZ2 LYS 64 -17.511 -2.146 -0.972 413 HZ3 LYS 64 HZ3 LYS 64 -18.382 -2.317 0.425 414 HA PRO 65 HA PRO 65 -14.929 -8.827 -3.996 415 HB2 PRO 65 HB2 PRO 65 -14.315 -6.571 -5.430 416 HB3 PRO 65 HB3 PRO 65 -15.128 -8.019 -6.114 417 HG2 PRO 65 HG2 PRO 65 -16.442 -5.476 -5.135 418 HG3 PRO 65 HG3 PRO 65 -16.690 -6.325 -6.693 419 HD2 PRO 65 HD2 PRO 65 -18.383 -6.730 -4.645 420 HD3 PRO 65 HD3 PRO 65 -17.855 -8.106 -5.644 421 H PHE 66 H PHE 66 -13.740 -8.605 -2.225 422 HA PHE 66 HA PHE 66 -14.217 -6.560 -0.256 423 HB2 PHE 66 HB2 PHE 66 -12.017 -8.649 -0.362 424 HB3 PHE 66 HB3 PHE 66 -12.587 -7.799 1.050 425 HD1 PHE 66 HD1 PHE 66 -15.537 -8.089 0.903 426 HD2 PHE 66 HD2 PHE 66 -12.414 -10.908 -0.045 427 HE1 PHE 66 HE1 PHE 66 -17.095 -9.961 1.337 428 HE2 PHE 66 HE2 PHE 66 -13.972 -12.784 0.417 429 HZ PHE 66 HZ PHE 66 -16.309 -12.315 1.089 430 H MET 67 H MET 67 -11.399 -7.358 -2.293 431 HA MET 67 HA MET 67 -9.677 -5.225 -1.606 432 HB2 MET 67 HB2 MET 67 -10.135 -6.866 -4.082 433 HB3 MET 67 HB3 MET 67 -9.044 -5.483 -4.158 434 HG2 MET 67 HG2 MET 67 -8.785 -7.759 -2.171 435 HG3 MET 67 HG3 MET 67 -7.878 -7.613 -3.677 436 HE1 MET 67 HE1 MET 67 -6.656 -8.188 -0.969 437 HE2 MET 67 HE2 MET 67 -5.525 -7.887 -2.305 438 HE3 MET 67 HE3 MET 67 -5.304 -7.056 -0.745 439 HA PRO 68 HA PRO 68 -12.767 -2.255 -2.511 440 HB2 PRO 68 HB2 PRO 68 -11.420 0.121 -1.959 441 HB3 PRO 68 HB3 PRO 68 -12.077 -1.014 -0.739 442 HG2 PRO 68 HG2 PRO 68 -9.247 -0.819 -1.807 443 HG3 PRO 68 HG3 PRO 68 -9.803 -0.994 -0.106 444 HD2 PRO 68 HD2 PRO 68 -8.947 -3.138 -1.521 445 HD3 PRO 68 HD3 PRO 68 -10.335 -3.264 -0.401 446 H THR 69 H THR 69 -13.607 -1.105 -4.081 447 HA THR 69 HA THR 69 -12.248 -0.647 -6.604 448 HB THR 69 HB THR 69 -14.449 0.321 -7.282 449 HG1 THR 69 HG1 THR 69 -15.231 -0.424 -4.645 450 HG21 THR 69 HG21 THR 69 -15.775 -1.713 -7.177 451 HG22 THR 69 HG22 THR 69 -14.759 -2.367 -5.877 452 HG23 THR 69 HG23 THR 69 -14.083 -2.120 -7.500 453 H ALA 70 H ALA 70 -12.498 1.518 -7.683 454 HA ALA 70 HA ALA 70 -10.655 3.202 -6.437 455 HB1 ALA 70 HB1 ALA 70 -11.023 3.062 -8.867 456 HB2 ALA 70 HB2 ALA 70 -12.591 3.886 -8.690 457 HB3 ALA 70 HB3 ALA 70 -11.084 4.742 -8.305 458 H ALA 71 H ALA 71 -14.227 3.683 -6.509 459 HA ALA 71 HA ALA 71 -14.176 6.173 -5.076 460 HB1 ALA 71 HB1 ALA 71 -16.590 5.756 -4.810 461 HB2 ALA 71 HB2 ALA 71 -16.061 5.428 -6.470 462 HB3 ALA 71 HB3 ALA 71 -16.373 4.078 -5.352 463 H GLU 72 H GLU 72 -14.223 2.780 -3.903 464 HA GLU 72 HA GLU 72 -14.745 3.391 -1.130 465 HB2 GLU 72 HB2 GLU 72 -13.482 0.977 -2.470 466 HB3 GLU 72 HB3 GLU 72 -13.946 1.085 -0.772 467 HG2 GLU 72 HG2 GLU 72 -16.293 1.375 -1.411 468 HG3 GLU 72 HG3 GLU 72 -15.872 1.334 -3.120 469 H ARG 73 H ARG 73 -11.830 2.506 -3.034 470 HA ARG 73 HA ARG 73 -9.792 2.926 -1.151 471 HB2 ARG 73 HB2 ARG 73 -9.614 2.008 -3.489 472 HB3 ARG 73 HB3 ARG 73 -9.841 3.648 -4.111 473 HG2 ARG 73 HG2 ARG 73 -7.703 4.352 -3.067 474 HG3 ARG 73 HG3 ARG 73 -7.504 2.725 -2.390 475 HD2 ARG 73 HD2 ARG 73 -6.163 2.917 -4.407 476 HD3 ARG 73 HD3 ARG 73 -7.480 1.771 -4.671 477 HE ARG 73 HE ARG 73 -7.914 4.590 -5.527 478 HH11 ARG 73 HH11 ARG 73 -7.550 1.284 -6.690 479 HH12 ARG 73 HH12 ARG 73 -7.534 1.809 -8.350 480 HH21 ARG 73 HH21 ARG 73 -8.267 5.094 -7.544 481 HH22 ARG 73 HH22 ARG 73 -8.118 3.896 -8.826 482 H ASP 74 H ASP 74 -11.325 5.361 -3.247 483 HA ASP 74 HA ASP 74 -9.833 7.603 -2.345 484 HB2 ASP 74 HB2 ASP 74 -11.112 7.618 -4.395 485 HB3 ASP 74 HB3 ASP 74 -12.616 7.327 -3.543 486 H GLU 75 H GLU 75 -13.143 6.536 -1.247 487 HA GLU 75 HA GLU 75 -13.266 8.664 0.704 488 HB2 GLU 75 HB2 GLU 75 -15.291 7.748 1.451 489 HB3 GLU 75 HB3 GLU 75 -15.280 7.637 -0.298 490 HG2 GLU 75 HG2 GLU 75 -14.829 5.229 -0.163 491 HG3 GLU 75 HG3 GLU 75 -14.663 5.302 1.583 492 H ILE 76 H ILE 76 -12.017 5.403 0.851 493 HA ILE 76 HA ILE 76 -11.796 5.262 3.742 494 HB ILE 76 HB ILE 76 -10.637 3.663 1.440 495 HG12 ILE 76 HG12 ILE 76 -12.583 2.775 3.621 496 HG13 ILE 76 HG13 ILE 76 -13.159 3.604 2.187 497 HG21 ILE 76 HG21 ILE 76 -9.866 2.023 3.178 498 HG22 ILE 76 HG22 ILE 76 -8.978 3.553 3.190 499 HG23 ILE 76 HG23 ILE 76 -10.220 3.244 4.423 500 HD11 ILE 76 HD11 ILE 76 -12.136 1.820 0.744 501 HD12 ILE 76 HD12 ILE 76 -11.767 0.918 2.233 502 HD13 ILE 76 HD13 ILE 76 -13.450 1.299 1.792 503 H LEU 77 H LEU 77 -9.460 6.115 1.104 504 HA LEU 77 HA LEU 77 -7.289 6.794 2.863 505 HB2 LEU 77 HB2 LEU 77 -8.150 7.615 0.076 506 HB3 LEU 77 HB3 LEU 77 -6.768 8.385 0.839 507 HG LEU 77 HG LEU 77 -6.983 5.357 0.539 508 HD11 LEU 77 HD11 LEU 77 -7.056 6.450 -1.648 509 HD12 LEU 77 HD12 LEU 77 -5.497 5.630 -1.410 510 HD13 LEU 77 HD13 LEU 77 -5.611 7.402 -1.246 511 HD21 LEU 77 HD21 LEU 77 -4.516 5.477 0.828 512 HD22 LEU 77 HD22 LEU 77 -5.368 6.111 2.249 513 HD23 LEU 77 HD23 LEU 77 -4.637 7.232 1.088 514 H ARG 78 H ARG 78 -10.066 8.645 1.726 515 HA ARG 78 HA ARG 78 -9.334 11.126 3.046 516 HB2 ARG 78 HB2 ARG 78 -12.025 10.072 2.121 517 HB3 ARG 78 HB3 ARG 78 -11.814 11.658 2.864 518 HG2 ARG 78 HG2 ARG 78 -10.279 12.343 1.054 519 HG3 ARG 78 HG3 ARG 78 -10.449 10.751 0.307 520 HD2 ARG 78 HD2 ARG 78 -13.032 11.270 0.412 521 HD3 ARG 78 HD3 ARG 78 -12.519 12.950 0.593 522 HE ARG 78 HE ARG 78 -12.320 11.186 -1.770 523 HH11 ARG 78 HH11 ARG 78 -11.285 14.368 -0.539 524 HH12 ARG 78 HH12 ARG 78 -11.060 14.943 -2.176 525 HH21 ARG 78 HH21 ARG 78 -11.540 11.848 -3.590 526 HH22 ARG 78 HH22 ARG 78 -10.938 13.465 -3.832 527 H ALA 79 H ALA 79 -11.202 8.295 4.135 528 HA ALA 79 HA ALA 79 -11.864 9.404 6.698 529 HB1 ALA 79 HB1 ALA 79 -13.088 7.540 5.660 530 HB2 ALA 79 HB2 ALA 79 -11.660 6.499 5.815 531 HB3 ALA 79 HB3 ALA 79 -12.484 7.105 7.267 532 H VAL 80 H VAL 80 -8.969 7.592 5.591 533 HA VAL 80 HA VAL 80 -7.752 7.430 8.241 534 HB VAL 80 HB VAL 80 -6.513 7.414 5.453 535 HG11 VAL 80 HG11 VAL 80 -4.530 6.419 6.540 536 HG12 VAL 80 HG12 VAL 80 -4.805 8.061 7.107 537 HG13 VAL 80 HG13 VAL 80 -5.264 6.688 8.139 538 HG21 VAL 80 HG21 VAL 80 -7.999 5.477 5.943 539 HG22 VAL 80 HG22 VAL 80 -6.305 5.004 5.798 540 HG23 VAL 80 HG23 VAL 80 -7.060 5.135 7.405 541 H GLY 81 H GLY 81 -7.672 9.756 5.558 542 HA2 GLY 81 HA2 GLY 81 -7.476 12.082 5.634 543 HA3 GLY 81 HA3 GLY 81 -7.204 11.994 7.382 544 H ASN 82 H ASN 82 -5.294 9.892 5.571 545 HA ASN 82 HA ASN 82 -2.986 11.519 5.023 546 HB2 ASN 82 HB2 ASN 82 -2.979 11.315 7.583 547 HB3 ASN 82 HB3 ASN 82 -2.871 9.568 7.391 548 HD21 ASN 82 HD21 ASN 82 -0.936 10.171 8.850 549 HD22 ASN 82 HD22 ASN 82 0.569 10.348 7.939 550 H MET 83 H MET 83 -1.111 9.890 4.497 551 HA MET 83 HA MET 83 -1.868 7.623 2.892 552 HB2 MET 83 HB2 MET 83 0.282 9.174 2.883 553 HB3 MET 83 HB3 MET 83 0.806 8.174 4.223 554 HG2 MET 83 HG2 MET 83 1.822 7.134 2.467 555 HG3 MET 83 HG3 MET 83 0.350 6.178 2.532 556 HE1 MET 83 HE1 MET 83 -1.513 7.115 -0.707 557 HE2 MET 83 HE2 MET 83 -1.468 6.193 0.816 558 HE3 MET 83 HE3 MET 83 -1.914 7.922 0.818 559 HA PRO 84 HA PRO 84 -2.354 5.099 6.623 560 HB2 PRO 84 HB2 PRO 84 -2.556 2.593 5.398 561 HB3 PRO 84 HB3 PRO 84 -3.893 3.732 5.699 562 HG2 PRO 84 HG2 PRO 84 -2.598 3.052 3.113 563 HG3 PRO 84 HG3 PRO 84 -4.176 3.810 3.439 564 HD2 PRO 84 HD2 PRO 84 -1.788 5.165 2.641 565 HD3 PRO 84 HD3 PRO 84 -3.323 5.921 3.149 566 H TYR 85 H TYR 85 0.162 4.983 4.337 567 HA TYR 85 HA TYR 85 1.928 3.299 6.045 568 HB2 TYR 85 HB2 TYR 85 3.056 2.633 3.911 569 HB3 TYR 85 HB3 TYR 85 1.434 2.028 4.132 570 HD1 TYR 85 HD2 TYR 85 -0.425 2.796 2.773 571 HD2 TYR 85 HD1 TYR 85 3.573 4.215 2.083 572 HE1 TYR 85 HE2 TYR 85 -1.103 3.565 0.502 573 HE2 TYR 85 HE1 TYR 85 2.922 4.923 -0.214 574 HH TYR 85 HH TYR 85 -0.438 4.604 -1.456 Start of MODEL 10 1 H ASN 14 H1 ASN 14 -4.272 -1.364 -2.265 2 HA ASN 14 HA ASN 14 -3.337 -1.970 -4.976 3 HB2 ASN 14 HB2 ASN 14 -4.860 0.047 -4.774 4 HB3 ASN 14 HB3 ASN 14 -3.641 0.793 -3.730 5 HD21 ASN 14 HD21 ASN 14 -2.962 2.489 -5.235 6 HD22 ASN 14 HD22 ASN 14 -2.254 2.054 -6.798 7 HA PRO 15 HA PRO 15 0.720 -1.796 -2.942 8 HB2 PRO 15 HB2 PRO 15 2.217 -2.255 -5.190 9 HB3 PRO 15 HB3 PRO 15 1.381 -3.551 -4.277 10 HG2 PRO 15 HG2 PRO 15 0.464 -2.106 -6.781 11 HG3 PRO 15 HG3 PRO 15 0.474 -3.870 -6.459 12 HD2 PRO 15 HD2 PRO 15 -1.751 -2.372 -6.151 13 HD3 PRO 15 HD3 PRO 15 -1.385 -3.708 -5.037 14 H CYS 16 H CYS 16 2.771 -0.539 -3.439 15 HA CYS 16 HA CYS 16 2.019 2.221 -4.297 16 HB2 CYS 16 2HB CYS 16 3.672 1.185 -2.014 17 HB3 CYS 16 3HB CYS 16 3.793 2.855 -2.584 18 H LEU 17 H LEU 17 2.509 1.744 -6.435 19 HA LEU 17 HA LEU 17 4.993 0.858 -7.457 20 HB2 LEU 17 HB2 LEU 17 2.822 2.656 -8.626 21 HB3 LEU 17 HB3 LEU 17 4.211 2.090 -9.537 22 HG LEU 17 HG LEU 17 3.501 -0.262 -9.232 23 HD11 LEU 17 HD11 LEU 17 2.097 -0.228 -7.240 24 HD12 LEU 17 HD12 LEU 17 1.110 -0.696 -8.616 25 HD13 LEU 17 HD13 LEU 17 0.990 0.956 -7.997 26 HD21 LEU 17 HD21 LEU 17 1.378 1.562 -10.431 27 HD22 LEU 17 HD22 LEU 17 1.674 -0.141 -10.850 28 HD23 LEU 17 HD23 LEU 17 2.897 1.085 -11.215 29 H SER 18 H SER 18 3.957 4.085 -6.468 30 HA SER 18 HA SER 18 5.924 5.685 -7.699 31 HB2 SER 18 HB2 SER 18 4.912 6.492 -5.020 32 HB3 SER 18 HB3 SER 18 4.957 7.416 -6.527 33 HG SER 18 HG SER 18 2.893 6.966 -6.633 34 H GLU 19 H GLU 19 5.740 4.665 -4.243 35 HA GLU 19 HA GLU 19 8.413 5.364 -3.540 36 HB2 GLU 19 HB2 GLU 19 6.431 3.348 -2.380 37 HB3 GLU 19 HB3 GLU 19 7.998 3.698 -1.662 38 HG2 GLU 19 HG2 GLU 19 6.299 4.943 -0.490 39 HG3 GLU 19 HG3 GLU 19 7.405 6.037 -1.313 40 H SER 20 H SER 20 7.033 2.390 -4.986 41 HA SER 20 HA SER 20 9.486 0.855 -4.678 42 HB2 SER 20 HB2 SER 20 7.274 -0.149 -5.216 43 HB3 SER 20 HB3 SER 20 7.403 0.510 -6.857 44 HG SER 20 HG SER 20 8.515 -1.710 -5.816 45 H ASP 21 H ASP 21 8.375 3.000 -7.355 46 HA ASP 21 HA ASP 21 10.766 2.546 -8.926 47 HB2 ASP 21 HB2 ASP 21 8.555 3.253 -9.855 48 HB3 ASP 21 HB3 ASP 21 8.788 4.845 -9.117 49 H ALA 22 H ALA 22 9.888 5.024 -6.489 50 HA ALA 22 HA ALA 22 12.256 6.624 -6.839 51 HB1 ALA 22 HB1 ALA 22 11.658 7.523 -4.640 52 HB2 ALA 22 HB2 ALA 22 10.215 7.377 -5.659 53 HB3 ALA 22 HB3 ALA 22 10.515 6.185 -4.376 54 H SER 23 H SER 23 11.584 3.706 -4.831 55 HA SER 23 HA SER 23 14.212 3.383 -3.782 56 HB2 SER 23 HB2 SER 23 12.089 1.958 -3.354 57 HB3 SER 23 HB3 SER 23 12.595 1.027 -4.770 58 HG SER 23 HG SER 23 13.489 0.242 -2.779 59 H THR 24 H THR 24 12.872 2.221 -6.995 60 HA THR 24 HA THR 24 15.324 1.225 -7.975 61 HB THR 24 HB THR 24 13.353 2.673 -9.750 62 HG1 THR 24 HG1 THR 24 12.238 0.822 -9.823 63 HG21 THR 24 HG21 THR 24 15.220 0.294 -10.166 64 HG22 THR 24 HG22 THR 24 15.388 1.901 -10.905 65 HG23 THR 24 HG23 THR 24 14.017 0.868 -11.337 66 H ARG 25 H ARG 25 14.294 4.671 -7.880 67 HA ARG 25 HA ARG 25 16.665 5.660 -9.241 68 HB2 ARG 25 HB2 ARG 25 15.051 7.219 -7.197 69 HB3 ARG 25 HB3 ARG 25 16.052 7.847 -8.491 70 HG2 ARG 25 HG2 ARG 25 13.343 6.528 -8.732 71 HG3 ARG 25 HG3 ARG 25 13.760 8.189 -9.026 72 HD2 ARG 25 HD2 ARG 25 14.043 7.755 -11.174 73 HD3 ARG 25 HD3 ARG 25 15.399 6.706 -10.793 74 HE ARG 25 HE ARG 25 12.538 5.725 -10.847 75 HH11 ARG 25 HH11 ARG 25 15.835 5.323 -12.060 76 HH12 ARG 25 HH12 ARG 25 15.420 3.826 -12.854 77 HH21 ARG 25 HH21 ARG 25 12.110 3.885 -11.995 78 HH22 ARG 25 HH22 ARG 25 13.389 3.080 -12.883 79 H CYS 26 H CYS 26 16.028 5.122 -5.751 80 HA CYS 26 HA CYS 26 18.621 5.971 -4.796 81 HB2 CYS 26 2HB CYS 26 16.966 5.554 -3.144 82 HB3 CYS 26 3HB CYS 26 16.581 3.959 -3.783 83 H LEU 27 H LEU 27 17.457 2.836 -6.007 84 HA LEU 27 HA LEU 27 19.870 1.363 -5.620 85 HB2 LEU 27 HB2 LEU 27 17.286 1.128 -7.151 86 HB3 LEU 27 HB3 LEU 27 18.536 -0.049 -7.458 87 HG LEU 27 HG LEU 27 18.503 -0.910 -5.412 88 HD11 LEU 27 HD11 LEU 27 18.790 0.811 -3.814 89 HD12 LEU 27 HD12 LEU 27 17.423 -0.190 -3.354 90 HD13 LEU 27 HD13 LEU 27 17.124 1.393 -4.063 91 HD21 LEU 27 HD21 LEU 27 15.605 0.021 -5.414 92 HD22 LEU 27 HD22 LEU 27 16.220 -1.581 -4.991 93 HD23 LEU 27 HD23 LEU 27 16.211 -1.034 -6.683 94 H ASP 28 H ASP 28 18.645 3.039 -8.436 95 HA ASP 28 HA ASP 28 20.915 2.687 -10.192 96 HB2 ASP 28 HB2 ASP 28 18.800 3.566 -11.008 97 HB3 ASP 28 HB3 ASP 28 18.960 4.995 -9.985 98 H GLU 29 H GLU 29 20.329 5.349 -7.711 99 HA GLU 29 HA GLU 29 22.810 6.596 -7.915 100 HB2 GLU 29 HB2 GLU 29 20.620 6.344 -5.969 101 HB3 GLU 29 HB3 GLU 29 22.177 6.459 -5.158 102 HG2 GLU 29 HG2 GLU 29 22.662 8.478 -6.461 103 HG3 GLU 29 HG3 GLU 29 21.129 8.337 -7.306 104 H ASN 30 H ASN 30 22.096 3.758 -5.806 105 HA ASN 30 HA ASN 30 25.025 3.323 -5.412 106 HB2 ASN 30 HB2 ASN 30 24.268 2.659 -3.073 107 HB3 ASN 30 HB3 ASN 30 24.272 4.370 -3.475 108 HD21 ASN 30 HD21 ASN 30 22.011 1.624 -3.654 109 HD22 ASN 30 HD22 ASN 30 20.573 2.561 -3.264 110 H ASN 31 H ASN 31 24.977 1.739 -7.136 111 HA ASN 31 HA ASN 31 24.944 -0.433 -7.913 112 HB2 ASN 31 HB2 ASN 31 26.086 -0.545 -5.105 113 HB3 ASN 31 HB3 ASN 31 26.310 -1.814 -6.308 114 HD21 ASN 31 HD21 ASN 31 27.535 1.193 -5.204 115 HD22 ASN 31 HD22 ASN 31 28.791 1.263 -6.442 116 H TYR 32 H TYR 32 22.270 -0.046 -7.149 117 HA TYR 32 HA TYR 32 20.380 -1.007 -6.590 118 HB2 TYR 32 HB2 TYR 32 21.477 -2.628 -8.424 119 HB3 TYR 32 HB3 TYR 32 21.177 -3.800 -7.163 120 HD1 TYR 32 HD2 TYR 32 18.672 -3.585 -6.026 121 HD2 TYR 32 HD1 TYR 32 19.799 -2.185 -9.959 122 HE1 TYR 32 HE2 TYR 32 16.319 -3.620 -6.715 123 HE2 TYR 32 HE1 TYR 32 17.418 -2.217 -10.636 124 HH TYR 32 HH TYR 32 15.289 -2.769 -10.049 125 H ASP 33 H ASP 33 21.859 -0.477 -4.361 126 HA ASP 33 HA ASP 33 21.756 -2.679 -2.519 127 HB2 ASP 33 HB2 ASP 33 23.442 -0.768 -2.565 128 HB3 ASP 33 HB3 ASP 33 22.230 0.189 -1.707 129 H ARG 34 H ARG 34 19.537 -2.996 -3.161 130 HA ARG 34 HA ARG 34 17.346 -1.697 -1.835 131 HB2 ARG 34 HB2 ARG 34 16.051 -3.671 -2.264 132 HB3 ARG 34 HB3 ARG 34 17.017 -3.253 -3.670 133 HG2 ARG 34 HG2 ARG 34 18.588 -5.086 -3.191 134 HG3 ARG 34 HG3 ARG 34 17.688 -5.492 -1.710 135 HD2 ARG 34 HD2 ARG 34 15.665 -5.944 -3.029 136 HD3 ARG 34 HD3 ARG 34 16.486 -5.462 -4.515 137 HE ARG 34 HE ARG 34 17.976 -7.395 -4.301 138 HH11 ARG 34 HH11 ARG 34 14.830 -7.679 -2.667 139 HH12 ARG 34 HH12 ARG 34 15.015 -9.430 -2.663 140 HH21 ARG 34 HH21 ARG 34 18.009 -9.593 -4.141 141 HH22 ARG 34 HH22 ARG 34 16.645 -10.424 -3.379 142 H GLU 35 H GLU 35 19.874 -3.363 -0.291 143 HA GLU 35 HA GLU 35 18.304 -3.911 2.146 144 HB2 GLU 35 HB2 GLU 35 21.308 -3.896 1.714 145 HB3 GLU 35 HB3 GLU 35 20.453 -4.351 3.190 146 HG2 GLU 35 HG2 GLU 35 19.335 -6.206 1.989 147 HG3 GLU 35 HG3 GLU 35 20.175 -5.756 0.498 148 H ARG 36 H ARG 36 20.678 -1.406 1.042 149 HA ARG 36 HA ARG 36 20.324 0.335 3.336 150 HB2 ARG 36 HB2 ARG 36 21.025 0.950 0.434 151 HB3 ARG 36 HB3 ARG 36 21.018 2.168 1.691 152 HG2 ARG 36 HG2 ARG 36 22.749 -0.301 2.014 153 HG3 ARG 36 HG3 ARG 36 23.225 1.018 0.946 154 HD2 ARG 36 HD2 ARG 36 24.325 1.430 2.968 155 HD3 ARG 36 HD3 ARG 36 23.023 2.624 2.860 156 HE ARG 36 HE ARG 36 22.184 0.269 4.345 157 HH11 ARG 36 HH11 ARG 36 24.303 3.051 4.847 158 HH12 ARG 36 HH12 ARG 36 24.066 2.938 6.586 159 HH21 ARG 36 HH21 ARG 36 22.003 0.245 6.464 160 HH22 ARG 36 HH22 ARG 36 22.796 1.483 7.461 161 H CYS 37 H CYS 37 18.555 0.155 0.250 162 HA CYS 37 HA CYS 37 16.566 2.099 1.315 163 HB2 CYS 37 2HB CYS 37 17.405 1.295 -1.440 164 HB3 CYS 37 3HB CYS 37 15.834 2.063 -1.186 165 H SER 38 H SER 38 16.453 -0.445 2.514 166 HA SER 38 HA SER 38 14.122 -1.896 1.549 167 HB2 SER 38 HB2 SER 38 15.710 -1.918 4.117 168 HB3 SER 38 HB3 SER 38 14.196 -2.821 3.934 169 HG SER 38 HG SER 38 16.076 -3.083 1.874 170 H THR 39 H THR 39 14.529 1.040 3.414 171 HA THR 39 HA THR 39 12.129 1.423 4.753 172 HB THR 39 HB THR 39 12.291 3.838 3.939 173 HG1 THR 39 HG1 THR 39 13.972 4.368 2.667 174 HG21 THR 39 HG21 THR 39 14.885 2.668 4.994 175 HG22 THR 39 HG22 THR 39 13.465 3.056 5.995 176 HG23 THR 39 HG23 THR 39 14.330 4.347 5.137 177 H TYR 40 H TYR 40 12.639 2.071 1.323 178 HA TYR 40 HA TYR 40 9.967 2.806 0.670 179 HB2 TYR 40 HB2 TYR 40 12.082 1.496 -1.072 180 HB3 TYR 40 HB3 TYR 40 10.638 2.304 -1.653 181 HD1 TYR 40 HD2 TYR 40 13.883 2.892 0.146 182 HD2 TYR 40 HD1 TYR 40 10.602 4.663 -2.016 183 HE1 TYR 40 HE2 TYR 40 15.229 4.957 -0.230 184 HE2 TYR 40 HE1 TYR 40 11.955 6.707 -2.397 185 HH TYR 40 HH TYR 40 15.359 6.999 -1.295 186 H PHE 41 H PHE 41 11.550 -0.418 0.492 187 HA PHE 41 HA PHE 41 9.200 -1.761 -0.530 188 HB2 PHE 41 HB2 PHE 41 11.694 -2.880 0.786 189 HB3 PHE 41 HB3 PHE 41 10.474 -3.820 -0.065 190 HD1 PHE 41 HD1 PHE 41 9.940 -3.084 -2.553 191 HD2 PHE 41 HD2 PHE 41 13.550 -2.055 -0.446 192 HE1 PHE 41 HE1 PHE 41 11.088 -2.658 -4.718 193 HE2 PHE 41 HE2 PHE 41 14.699 -1.644 -2.602 194 HZ PHE 41 HZ PHE 41 13.466 -1.945 -4.746 195 H LEU 42 H LEU 42 10.340 -1.044 2.734 196 HA LEU 42 HA LEU 42 8.266 -2.541 4.073 197 HB2 LEU 42 HB2 LEU 42 10.052 -1.942 5.478 198 HB3 LEU 42 HB3 LEU 42 10.181 -0.330 4.808 199 HG LEU 42 HG LEU 42 8.157 0.392 6.019 200 HD11 LEU 42 HD11 LEU 42 8.264 -2.333 7.384 201 HD12 LEU 42 HD12 LEU 42 6.992 -1.797 6.264 202 HD13 LEU 42 HD13 LEU 42 7.195 -0.963 7.792 203 HD21 LEU 42 HD21 LEU 42 10.283 -0.899 7.771 204 HD22 LEU 42 HD22 LEU 42 9.168 0.399 8.253 205 HD23 LEU 42 HD23 LEU 42 10.382 0.703 7.004 206 H ARG 43 H ARG 43 8.361 0.917 3.039 207 HA ARG 43 HA ARG 43 5.607 1.360 3.763 208 HB2 ARG 43 HB2 ARG 43 7.370 2.739 1.708 209 HB3 ARG 43 HB3 ARG 43 5.735 3.277 2.152 210 HG2 ARG 43 HG2 ARG 43 6.408 3.443 4.531 211 HG3 ARG 43 HG3 ARG 43 8.021 2.870 4.130 212 HD2 ARG 43 HD2 ARG 43 8.161 5.239 4.365 213 HD3 ARG 43 HD3 ARG 43 8.304 4.889 2.632 214 HE ARG 43 HE ARG 43 5.539 5.353 3.251 215 HH11 ARG 43 HH11 ARG 43 8.487 7.237 3.002 216 HH12 ARG 43 HH12 ARG 43 7.588 8.697 2.606 217 HH21 ARG 43 HH21 ARG 43 4.509 7.153 2.907 218 HH22 ARG 43 HH22 ARG 43 5.359 8.666 2.592 219 H TYR 44 H TYR 44 6.980 -0.189 0.962 220 HA TYR 44 HA TYR 44 4.462 -0.379 -0.504 221 HB2 TYR 44 HB2 TYR 44 6.730 -0.614 -1.497 222 HB3 TYR 44 HB3 TYR 44 6.934 -2.137 -0.653 223 HD1 TYR 44 HD2 TYR 44 5.368 -4.081 -1.193 224 HD2 TYR 44 HD1 TYR 44 5.660 -0.516 -3.578 225 HE1 TYR 44 HE2 TYR 44 4.435 -5.316 -3.150 226 HE2 TYR 44 HE1 TYR 44 4.719 -1.749 -5.546 227 HH TYR 44 HH TYR 44 3.766 -3.723 -6.274 228 H LYS 45 H LYS 45 6.125 -2.547 1.808 229 HA LYS 45 HA LYS 45 4.120 -4.609 1.894 230 HB2 LYS 45 HB2 LYS 45 6.532 -4.775 2.570 231 HB3 LYS 45 HB3 LYS 45 6.173 -3.810 4.004 232 HG2 LYS 45 HG2 LYS 45 4.691 -5.548 4.860 233 HG3 LYS 45 HG3 LYS 45 4.840 -6.467 3.347 234 HD2 LYS 45 HD2 LYS 45 7.180 -6.899 3.726 235 HD3 LYS 45 HD3 LYS 45 7.223 -5.820 5.130 236 HE2 LYS 45 HE2 LYS 45 5.786 -7.258 6.410 237 HE3 LYS 45 HE3 LYS 45 5.403 -8.259 5.005 238 HZ1 LYS 45 HZ1 LYS 45 7.200 -9.050 6.676 239 HZ2 LYS 45 HZ2 LYS 45 8.209 -8.033 5.872 240 HZ3 LYS 45 HZ3 LYS 45 7.494 -9.232 5.050 241 H ASN 46 H ASN 46 4.421 -1.532 3.647 242 HA ASN 46 HA ASN 46 2.169 -1.910 5.402 243 HB2 ASN 46 HB2 ASN 46 3.234 0.689 4.213 244 HB3 ASN 46 HB3 ASN 46 2.134 0.548 5.563 245 HD21 ASN 46 HD21 ASN 46 4.464 1.979 5.701 246 HD22 ASN 46 HD22 ASN 46 5.564 1.218 6.819 247 H CYS 47 H CYS 47 2.372 -0.440 2.073 248 HA CYS 47 HA CYS 47 -0.359 0.248 1.852 249 HB2 CYS 47 2HB CYS 47 1.519 -0.693 -0.359 250 HB3 CYS 47 3HB CYS 47 0.020 0.212 -0.564 251 H ARG 48 H ARG 48 1.300 -2.796 1.031 252 HA ARG 48 HA ARG 48 -1.027 -4.321 0.260 253 HB2 ARG 48 HB2 ARG 48 1.648 -5.145 1.481 254 HB3 ARG 48 HB3 ARG 48 0.467 -6.283 0.852 255 HG2 ARG 48 HG2 ARG 48 1.809 -4.106 -0.826 256 HG3 ARG 48 HG3 ARG 48 2.382 -5.766 -0.670 257 HD2 ARG 48 HD2 ARG 48 -0.199 -6.277 -1.371 258 HD3 ARG 48 HD3 ARG 48 0.015 -4.708 -2.165 259 HE ARG 48 HE ARG 48 2.210 -6.595 -2.649 260 HH11 ARG 48 HH11 ARG 48 -1.055 -5.906 -3.834 261 HH12 ARG 48 HH12 ARG 48 -0.730 -6.766 -5.320 262 HH21 ARG 48 HH21 ARG 48 2.500 -7.615 -4.427 263 HH22 ARG 48 HH22 ARG 48 1.270 -7.712 -5.685 264 H ARG 49 H ARG 49 0.624 -4.186 3.485 265 HA ARG 49 HA ARG 49 -1.184 -5.939 4.796 266 HB2 ARG 49 HB2 ARG 49 1.031 -5.227 5.694 267 HB3 ARG 49 HB3 ARG 49 0.387 -3.610 6.009 268 HG2 ARG 49 HG2 ARG 49 -1.240 -4.558 7.617 269 HG3 ARG 49 HG3 ARG 49 -0.693 -6.194 7.217 270 HD2 ARG 49 HD2 ARG 49 1.578 -5.613 8.116 271 HD3 ARG 49 HD3 ARG 49 0.981 -4.003 8.526 272 HE ARG 49 HE ARG 49 -0.070 -4.865 10.405 273 HH11 ARG 49 HH11 ARG 49 0.926 -7.650 8.468 274 HH12 ARG 49 HH12 ARG 49 0.253 -8.756 9.632 275 HH21 ARG 49 HH21 ARG 49 -1.055 -6.426 11.719 276 HH22 ARG 49 HH22 ARG 49 -0.885 -8.108 11.278 277 H PHE 50 H PHE 50 -1.401 -2.380 4.490 278 HA PHE 50 HA PHE 50 -3.736 -1.973 6.034 279 HB2 PHE 50 HB2 PHE 50 -2.270 -0.194 5.073 280 HB3 PHE 50 HB3 PHE 50 -2.887 -0.530 3.479 281 HD1 PHE 50 HD2 PHE 50 -3.776 0.817 6.837 282 HD2 PHE 50 HD1 PHE 50 -5.123 0.165 2.797 283 HE1 PHE 50 HE2 PHE 50 -5.783 2.216 7.272 284 HE2 PHE 50 HE1 PHE 50 -7.140 1.535 3.237 285 HZ PHE 50 HZ PHE 50 -7.497 2.527 5.488 286 H TRP 51 H TRP 51 -3.574 -2.321 2.456 287 HA TRP 51 HA TRP 51 -6.437 -2.559 2.307 288 HB2 TRP 51 HB2 TRP 51 -4.281 -2.935 0.234 289 HB3 TRP 51 HB3 TRP 51 -5.992 -3.067 -0.109 290 HD1 TRP 51 HD1 TRP 51 -3.294 -0.497 0.066 291 HE1 TRP 51 HE1 TRP 51 -4.252 1.814 -0.407 292 HE3 TRP 51 HE3 TRP 51 -8.309 -1.424 0.888 293 HZ2 TRP 51 HZ2 TRP 51 -6.695 3.199 -0.010 294 HZ3 TRP 51 HZ3 TRP 51 -9.893 0.526 1.005 295 HH2 TRP 51 HH2 TRP 51 -9.092 2.813 0.576 296 H ASN 52 H ASN 52 -3.960 -5.177 2.443 297 HA ASN 52 HA ASN 52 -5.687 -7.411 2.127 298 HB2 ASN 52 HB2 ASN 52 -3.197 -6.804 3.785 299 HB3 ASN 52 HB3 ASN 52 -3.975 -8.343 3.891 300 HD21 ASN 52 HD21 ASN 52 -1.346 -8.247 3.174 301 HD22 ASN 52 HD22 ASN 52 -1.170 -8.616 1.478 302 H SER 53 H SER 53 -5.055 -5.327 4.998 303 HA SER 53 HA SER 53 -6.791 -6.775 6.779 304 HB2 SER 53 HB2 SER 53 -5.955 -3.858 6.974 305 HB3 SER 53 HB3 SER 53 -6.644 -4.863 8.250 306 HG SER 53 HG SER 53 -4.143 -5.172 6.936 307 H ILE 54 H ILE 54 -7.402 -3.874 4.674 308 HA ILE 54 HA ILE 54 -10.130 -3.525 5.475 309 HB ILE 54 HB ILE 54 -8.750 -2.966 2.823 310 HG12 ILE 54 HG12 ILE 54 -7.758 -1.682 4.652 311 HG13 ILE 54 HG13 ILE 54 -8.630 -0.651 3.556 312 HG21 ILE 54 HG21 ILE 54 -10.638 -1.344 2.431 313 HG22 ILE 54 HG22 ILE 54 -11.088 -3.047 2.328 314 HG23 ILE 54 HG23 ILE 54 -11.501 -2.111 3.783 315 HD11 ILE 54 HD11 ILE 54 -10.522 -0.534 5.202 316 HD12 ILE 54 HD12 ILE 54 -9.575 -1.560 6.307 317 HD13 ILE 54 HD13 ILE 54 -8.987 0.048 5.862 318 H VAL 55 H VAL 55 -8.725 -5.644 2.949 319 HA VAL 55 HA VAL 55 -11.167 -6.832 2.093 320 HB VAL 55 HB VAL 55 -8.314 -7.851 2.141 321 HG11 VAL 55 HG11 VAL 55 -8.983 -9.588 0.552 322 HG12 VAL 55 HG12 VAL 55 -9.760 -9.840 2.119 323 HG13 VAL 55 HG13 VAL 55 -10.690 -9.160 0.767 324 HG21 VAL 55 HG21 VAL 55 -8.408 -7.368 -0.230 325 HG22 VAL 55 HG22 VAL 55 -10.120 -6.908 -0.126 326 HG23 VAL 55 HG23 VAL 55 -8.877 -5.914 0.651 327 H MET 56 H MET 56 -8.960 -8.020 4.772 328 HA MET 56 HA MET 56 -10.700 -10.130 5.653 329 HB2 MET 56 HB2 MET 56 -8.885 -8.230 7.238 330 HB3 MET 56 HB3 MET 56 -9.755 -9.555 7.988 331 HG2 MET 56 HG2 MET 56 -7.712 -9.915 5.785 332 HG3 MET 56 HG3 MET 56 -7.398 -10.025 7.518 333 HE1 MET 56 HE1 MET 56 -6.402 -12.337 7.571 334 HE2 MET 56 HE2 MET 56 -7.092 -13.770 6.781 335 HE3 MET 56 HE3 MET 56 -6.480 -12.426 5.795 336 H GLN 57 H GLN 57 -10.811 -6.643 6.500 337 HA GLN 57 HA GLN 57 -12.976 -7.012 8.405 338 HB2 GLN 57 HB2 GLN 57 -11.787 -4.486 7.195 339 HB3 GLN 57 HB3 GLN 57 -12.958 -4.515 8.507 340 HG2 GLN 57 HG2 GLN 57 -10.139 -5.663 8.632 341 HG3 GLN 57 HG3 GLN 57 -10.675 -4.151 9.332 342 HE21 GLN 57 HE21 GLN 57 -9.389 -5.853 10.935 343 HE22 GLN 57 HE22 GLN 57 -10.520 -6.573 12.086 344 H ARG 58 H ARG 58 -12.943 -6.481 4.971 345 HA ARG 58 HA ARG 58 -15.900 -6.016 4.940 346 HB2 ARG 58 HB2 ARG 58 -13.715 -6.024 2.801 347 HB3 ARG 58 HB3 ARG 58 -15.435 -5.864 2.429 348 HG2 ARG 58 HG2 ARG 58 -15.583 -3.911 3.957 349 HG3 ARG 58 HG3 ARG 58 -13.856 -4.015 4.274 350 HD2 ARG 58 HD2 ARG 58 -13.400 -2.743 2.508 351 HD3 ARG 58 HD3 ARG 58 -14.128 -3.935 1.437 352 HE ARG 58 HE ARG 58 -15.846 -2.490 1.092 353 HH11 ARG 58 HH11 ARG 58 -14.591 -1.567 4.291 354 HH12 ARG 58 HH12 ARG 58 -15.711 -0.232 4.372 355 HH21 ARG 58 HH21 ARG 58 -17.276 -0.817 1.401 356 HH22 ARG 58 HH22 ARG 58 -17.128 0.177 2.812 357 H ARG 59 H ARG 59 -13.708 -8.670 4.620 358 HA ARG 59 HA ARG 59 -15.625 -10.410 3.343 359 HB2 ARG 59 HB2 ARG 59 -13.035 -10.548 3.388 360 HB3 ARG 59 HB3 ARG 59 -13.244 -11.324 4.970 361 HG2 ARG 59 HG2 ARG 59 -14.832 -12.951 3.762 362 HG3 ARG 59 HG3 ARG 59 -14.341 -12.172 2.257 363 HD2 ARG 59 HD2 ARG 59 -12.492 -13.475 4.224 364 HD3 ARG 59 HD3 ARG 59 -13.195 -14.266 2.753 365 HE ARG 59 HE ARG 59 -10.956 -12.366 2.935 366 HH11 ARG 59 HH11 ARG 59 -13.070 -14.045 0.613 367 HH12 ARG 59 HH12 ARG 59 -11.955 -13.652 -0.681 368 HH21 ARG 59 HH21 ARG 59 -9.664 -12.111 1.325 369 HH22 ARG 59 HH22 ARG 59 -10.097 -12.603 -0.310 370 H LYS 60 H LYS 60 -15.260 -9.371 6.615 371 HA LYS 60 HA LYS 60 -16.323 -11.484 8.088 372 HB2 LYS 60 HB2 LYS 60 -16.930 -9.899 9.757 373 HB3 LYS 60 HB3 LYS 60 -15.420 -9.384 9.014 374 HG2 LYS 60 HG2 LYS 60 -16.772 -7.759 7.601 375 HG3 LYS 60 HG3 LYS 60 -18.194 -8.221 8.544 376 HD2 LYS 60 HD2 LYS 60 -17.105 -7.466 10.626 377 HD3 LYS 60 HD3 LYS 60 -15.647 -7.022 9.708 378 HE2 LYS 60 HE2 LYS 60 -17.042 -5.471 8.318 379 HE3 LYS 60 HE3 LYS 60 -18.445 -5.863 9.313 380 HZ1 LYS 60 HZ1 LYS 60 -17.274 -4.924 11.233 381 HZ2 LYS 60 HZ2 LYS 60 -17.374 -3.810 10.052 382 HZ3 LYS 60 HZ3 LYS 60 -15.954 -4.589 10.334 383 H ASN 61 H ASN 61 -18.236 -9.276 6.015 384 HA ASN 61 HA ASN 61 -20.696 -10.764 6.817 385 HB2 ASN 61 HB2 ASN 61 -20.229 -8.176 5.335 386 HB3 ASN 61 HB3 ASN 61 -21.774 -9.020 5.272 387 HD21 ASN 61 HD21 ASN 61 -19.913 -6.871 7.136 388 HD22 ASN 61 HD22 ASN 61 -20.885 -6.992 8.605 389 H GLY 62 H GLY 62 -18.352 -11.155 4.414 390 HA2 GLY 62 HA2 GLY 62 -18.174 -12.681 2.725 391 HA3 GLY 62 HA3 GLY 62 -19.509 -13.500 3.525 392 H VAL 63 H VAL 63 -19.980 -10.341 2.031 393 HA VAL 63 HA VAL 63 -21.723 -11.567 -0.051 394 HB VAL 63 HB VAL 63 -22.976 -11.220 1.982 395 HG11 VAL 63 HG11 VAL 63 -21.619 -9.320 2.971 396 HG12 VAL 63 HG12 VAL 63 -22.436 -8.225 1.832 397 HG13 VAL 63 HG13 VAL 63 -23.369 -9.111 3.038 398 HG21 VAL 63 HG21 VAL 63 -24.064 -10.860 -0.198 399 HG22 VAL 63 HG22 VAL 63 -24.797 -9.895 1.101 400 HG23 VAL 63 HG23 VAL 63 -23.716 -9.120 -0.077 401 H LYS 64 H LYS 64 -20.377 -8.423 1.033 402 HA LYS 64 HA LYS 64 -20.773 -7.134 -1.541 403 HB2 LYS 64 HB2 LYS 64 -19.384 -5.322 -0.492 404 HB3 LYS 64 HB3 LYS 64 -20.783 -5.782 0.461 405 HG2 LYS 64 HG2 LYS 64 -19.483 -6.784 2.136 406 HG3 LYS 64 HG3 LYS 64 -18.139 -7.135 1.045 407 HD2 LYS 64 HD2 LYS 64 -17.628 -5.370 2.710 408 HD3 LYS 64 HD3 LYS 64 -17.364 -4.928 1.024 409 HE2 LYS 64 HE2 LYS 64 -18.331 -3.042 2.202 410 HE3 LYS 64 HE3 LYS 64 -19.512 -3.641 1.035 411 HZ1 LYS 64 HZ1 LYS 64 -20.454 -3.163 3.256 412 HZ2 LYS 64 HZ2 LYS 64 -19.523 -4.326 3.936 413 HZ3 LYS 64 HZ3 LYS 64 -20.688 -4.725 2.849 414 HA PRO 65 HA PRO 65 -16.670 -7.825 -3.411 415 HB2 PRO 65 HB2 PRO 65 -15.976 -5.256 -4.164 416 HB3 PRO 65 HB3 PRO 65 -17.086 -6.310 -5.084 417 HG2 PRO 65 HG2 PRO 65 -17.814 -4.149 -3.093 418 HG3 PRO 65 HG3 PRO 65 -18.479 -4.410 -4.739 419 HD2 PRO 65 HD2 PRO 65 -19.799 -5.325 -2.586 420 HD3 PRO 65 HD3 PRO 65 -19.681 -6.337 -4.044 421 H PHE 66 H PHE 66 -15.057 -8.247 -2.067 422 HA PHE 66 HA PHE 66 -14.599 -6.858 0.407 423 HB2 PHE 66 HB2 PHE 66 -12.806 -8.880 -0.968 424 HB3 PHE 66 HB3 PHE 66 -12.865 -8.486 0.732 425 HD1 PHE 66 HD2 PHE 66 -15.894 -8.573 1.188 426 HD2 PHE 66 HD1 PHE 66 -13.254 -11.168 -1.018 427 HE1 PHE 66 HE2 PHE 66 -17.449 -10.458 1.549 428 HE2 PHE 66 HE1 PHE 66 -14.782 -13.081 -0.575 429 HZ PHE 66 HZ PHE 66 -16.847 -12.747 0.739 430 H MET 67 H MET 67 -12.633 -7.136 -2.574 431 HA MET 67 HA MET 67 -10.909 -4.887 -1.953 432 HB2 MET 67 HB2 MET 67 -11.599 -6.406 -4.475 433 HB3 MET 67 HB3 MET 67 -10.691 -4.895 -4.532 434 HG2 MET 67 HG2 MET 67 -9.868 -7.286 -2.861 435 HG3 MET 67 HG3 MET 67 -9.234 -6.902 -4.462 436 HE1 MET 67 HE1 MET 67 -7.425 -7.459 -2.141 437 HE2 MET 67 HE2 MET 67 -6.727 -6.870 -3.659 438 HE3 MET 67 HE3 MET 67 -6.231 -6.130 -2.113 439 HA PRO 68 HA PRO 68 -14.499 -2.228 -2.297 440 HB2 PRO 68 HB2 PRO 68 -13.330 0.218 -1.773 441 HB3 PRO 68 HB3 PRO 68 -13.650 -1.031 -0.529 442 HG2 PRO 68 HG2 PRO 68 -11.075 -0.480 -2.040 443 HG3 PRO 68 HG3 PRO 68 -11.304 -0.710 -0.273 444 HD2 PRO 68 HD2 PRO 68 -10.485 -2.746 -1.869 445 HD3 PRO 68 HD3 PRO 68 -11.621 -3.032 -0.516 446 H THR 69 H THR 69 -15.505 -0.712 -3.687 447 HA THR 69 HA THR 69 -14.262 -0.185 -6.282 448 HB THR 69 HB THR 69 -16.406 0.918 -6.802 449 HG1 THR 69 HG1 THR 69 -17.915 1.204 -5.365 450 HG21 THR 69 HG21 THR 69 -16.243 -1.530 -7.149 451 HG22 THR 69 HG22 THR 69 -17.880 -0.998 -6.751 452 HG23 THR 69 HG23 THR 69 -16.889 -1.800 -5.515 453 H ALA 70 H ALA 70 -14.462 2.151 -7.101 454 HA ALA 70 HA ALA 70 -12.528 3.602 -5.655 455 HB1 ALA 70 HB1 ALA 70 -14.425 4.597 -7.818 456 HB2 ALA 70 HB2 ALA 70 -12.879 5.330 -7.341 457 HB3 ALA 70 HB3 ALA 70 -12.896 3.732 -8.096 458 H ALA 71 H ALA 71 -16.086 4.082 -5.608 459 HA ALA 71 HA ALA 71 -16.075 6.446 -3.968 460 HB1 ALA 71 HB1 ALA 71 -17.980 5.707 -5.356 461 HB2 ALA 71 HB2 ALA 71 -18.174 4.260 -4.343 462 HB3 ALA 71 HB3 ALA 71 -18.460 5.867 -3.651 463 H GLU 72 H GLU 72 -16.032 2.970 -3.173 464 HA GLU 72 HA GLU 72 -16.413 3.256 -0.322 465 HB2 GLU 72 HB2 GLU 72 -15.401 1.018 -2.097 466 HB3 GLU 72 HB3 GLU 72 -15.608 0.856 -0.359 467 HG2 GLU 72 HG2 GLU 72 -17.927 1.693 -2.154 468 HG3 GLU 72 HG3 GLU 72 -17.447 0.009 -1.983 469 H ARG 73 H ARG 73 -13.580 2.602 -2.454 470 HA ARG 73 HA ARG 73 -11.467 2.812 -0.599 471 HB2 ARG 73 HB2 ARG 73 -11.307 2.199 -3.049 472 HB3 ARG 73 HB3 ARG 73 -11.567 3.902 -3.446 473 HG2 ARG 73 HG2 ARG 73 -9.454 4.437 -2.083 474 HG3 ARG 73 HG3 ARG 73 -9.220 2.688 -1.938 475 HD2 ARG 73 HD2 ARG 73 -7.845 3.479 -3.732 476 HD3 ARG 73 HD3 ARG 73 -9.165 2.519 -4.407 477 HE ARG 73 HE ARG 73 -9.287 5.538 -4.331 478 HH11 ARG 73 HH11 ARG 73 -9.258 2.650 -6.324 479 HH12 ARG 73 HH12 ARG 73 -9.845 3.524 -7.718 480 HH21 ARG 73 HH21 ARG 73 -9.808 6.571 -6.099 481 HH22 ARG 73 HH22 ARG 73 -10.006 5.723 -7.630 482 H ASP 74 H ASP 74 -13.135 5.459 -2.325 483 HA ASP 74 HA ASP 74 -11.601 7.608 -1.245 484 HB2 ASP 74 HB2 ASP 74 -13.025 7.799 -3.200 485 HB3 ASP 74 HB3 ASP 74 -14.463 7.438 -2.274 486 H GLU 75 H GLU 75 -14.839 6.317 -0.069 487 HA GLU 75 HA GLU 75 -14.718 8.076 2.204 488 HB2 GLU 75 HB2 GLU 75 -16.563 6.985 3.106 489 HB3 GLU 75 HB3 GLU 75 -16.838 7.246 1.398 490 HG2 GLU 75 HG2 GLU 75 -16.641 4.924 0.912 491 HG3 GLU 75 HG3 GLU 75 -15.950 4.534 2.483 492 H ILE 76 H ILE 76 -13.312 4.870 1.726 493 HA ILE 76 HA ILE 76 -12.727 4.352 4.500 494 HB ILE 76 HB ILE 76 -11.760 3.301 1.832 495 HG12 ILE 76 HG12 ILE 76 -13.274 1.787 3.997 496 HG13 ILE 76 HG13 ILE 76 -14.129 2.873 2.924 497 HG21 ILE 76 HG21 ILE 76 -10.890 2.316 4.565 498 HG22 ILE 76 HG22 ILE 76 -10.634 1.447 3.043 499 HG23 ILE 76 HG23 ILE 76 -9.858 3.020 3.300 500 HD11 ILE 76 HD11 ILE 76 -12.964 1.522 0.978 501 HD12 ILE 76 HD12 ILE 76 -12.826 0.267 2.232 502 HD13 ILE 76 HD13 ILE 76 -14.418 0.960 1.779 503 H LEU 77 H LEU 77 -10.727 5.717 1.825 504 HA LEU 77 HA LEU 77 -8.424 6.325 3.470 505 HB2 LEU 77 HB2 LEU 77 -9.509 7.310 0.821 506 HB3 LEU 77 HB3 LEU 77 -8.079 8.041 1.530 507 HG LEU 77 HG LEU 77 -8.321 5.064 0.900 508 HD11 LEU 77 HD11 LEU 77 -8.450 6.509 -1.080 509 HD12 LEU 77 HD12 LEU 77 -6.912 5.611 -1.044 510 HD13 LEU 77 HD13 LEU 77 -6.961 7.337 -0.591 511 HD21 LEU 77 HD21 LEU 77 -5.781 5.162 1.079 512 HD22 LEU 77 HD22 LEU 77 -6.621 5.421 2.618 513 HD23 LEU 77 HD23 LEU 77 -5.960 6.807 1.746 514 H ARG 78 H ARG 78 -11.364 8.132 2.671 515 HA ARG 78 HA ARG 78 -10.640 10.524 4.145 516 HB2 ARG 78 HB2 ARG 78 -13.325 9.449 3.241 517 HB3 ARG 78 HB3 ARG 78 -13.152 10.982 4.094 518 HG2 ARG 78 HG2 ARG 78 -11.903 11.989 2.330 519 HG3 ARG 78 HG3 ARG 78 -11.549 10.443 1.580 520 HD2 ARG 78 HD2 ARG 78 -13.124 11.418 0.171 521 HD3 ARG 78 HD3 ARG 78 -14.012 10.182 1.061 522 HE ARG 78 HE ARG 78 -14.224 12.791 2.324 523 HH11 ARG 78 HH11 ARG 78 -15.509 11.023 -0.450 524 HH12 ARG 78 HH12 ARG 78 -16.963 12.004 -0.474 525 HH21 ARG 78 HH21 ARG 78 -16.166 13.936 2.221 526 HH22 ARG 78 HH22 ARG 78 -17.410 13.441 1.113 527 H ALA 79 H ALA 79 -12.175 7.482 5.153 528 HA ALA 79 HA ALA 79 -12.586 8.325 7.883 529 HB1 ALA 79 HB1 ALA 79 -12.461 5.549 6.650 530 HB2 ALA 79 HB2 ALA 79 -13.044 5.942 8.280 531 HB3 ALA 79 HB3 ALA 79 -13.912 6.547 6.857 532 H VAL 80 H VAL 80 -9.731 6.909 6.235 533 HA VAL 80 HA VAL 80 -8.173 6.741 8.719 534 HB VAL 80 HB VAL 80 -7.226 7.108 5.842 535 HG11 VAL 80 HG11 VAL 80 -5.729 6.205 8.327 536 HG12 VAL 80 HG12 VAL 80 -5.078 6.237 6.673 537 HG13 VAL 80 HG13 VAL 80 -5.489 7.745 7.482 538 HG21 VAL 80 HG21 VAL 80 -7.484 4.588 7.538 539 HG22 VAL 80 HG22 VAL 80 -8.416 4.979 6.076 540 HG23 VAL 80 HG23 VAL 80 -6.684 4.702 5.953 541 H GLY 81 H GLY 81 -8.668 9.226 6.194 542 HA2 GLY 81 HA2 GLY 81 -8.632 11.549 6.381 543 HA3 GLY 81 HA3 GLY 81 -8.111 11.416 8.064 544 H ASN 82 H ASN 82 -6.242 9.451 6.083 545 HA ASN 82 HA ASN 82 -4.240 11.345 5.190 546 HB2 ASN 82 HB2 ASN 82 -3.733 11.129 7.663 547 HB3 ASN 82 HB3 ASN 82 -3.566 9.386 7.436 548 HD21 ASN 82 HD21 ASN 82 -1.364 9.166 7.893 549 HD22 ASN 82 HD22 ASN 82 -0.132 9.966 6.891 550 H MET 83 H MET 83 -2.472 10.210 4.073 551 HA MET 83 HA MET 83 -3.319 7.849 2.591 552 HB2 MET 83 HB2 MET 83 -1.953 9.900 1.771 553 HB3 MET 83 HB3 MET 83 -0.613 9.223 2.685 554 HG2 MET 83 HG2 MET 83 -0.129 8.352 0.666 555 HG3 MET 83 HG3 MET 83 -1.177 7.051 1.217 556 HE1 MET 83 HE1 MET 83 -3.453 6.481 0.211 557 HE2 MET 83 HE2 MET 83 -4.216 8.038 0.643 558 HE3 MET 83 HE3 MET 83 -4.326 7.424 -1.017 559 HA PRO 84 HA PRO 84 -1.279 5.294 5.780 560 HB2 PRO 84 HB2 PRO 84 -1.921 2.783 4.888 561 HB3 PRO 84 HB3 PRO 84 -3.080 3.871 5.702 562 HG2 PRO 84 HG2 PRO 84 -2.827 3.266 2.757 563 HG3 PRO 84 HG3 PRO 84 -4.292 3.531 3.736 564 HD2 PRO 84 HD2 PRO 84 -3.090 5.503 2.157 565 HD3 PRO 84 HD3 PRO 84 -4.169 5.837 3.542 566 H TYR 85 H TYR 85 -0.358 5.856 2.728 567 HA TYR 85 HA TYR 85 1.821 3.933 2.383 568 HB2 TYR 85 HB2 TYR 85 1.174 6.359 0.716 569 HB3 TYR 85 HB3 TYR 85 2.055 4.926 0.226 570 HD1 TYR 85 HD2 TYR 85 -0.389 3.129 1.644 571 HD2 TYR 85 HD1 TYR 85 -0.052 6.162 -1.400 572 HE1 TYR 85 HE2 TYR 85 -2.523 2.361 0.636 573 HE2 TYR 85 HE1 TYR 85 -2.166 5.339 -2.436 574 HH TYR 85 HH TYR 85 -3.709 3.654 -2.474 Start of MODEL 11 1 H ASN 14 H1 ASN 14 -4.379 -3.472 -2.360 2 HA ASN 14 HA ASN 14 -3.867 -2.110 -4.215 3 HB2 ASN 14 HB2 ASN 14 -5.325 -0.238 -3.731 4 HB3 ASN 14 HB3 ASN 14 -4.387 0.197 -2.297 5 HD21 ASN 14 HD21 ASN 14 -4.089 -0.172 -5.912 6 HD22 ASN 14 HD22 ASN 14 -3.016 1.207 -6.038 7 HA PRO 15 HA PRO 15 0.196 -2.371 -2.185 8 HB2 PRO 15 HB2 PRO 15 1.554 -3.607 -4.186 9 HB3 PRO 15 HB3 PRO 15 0.428 -4.494 -3.114 10 HG2 PRO 15 HG2 PRO 15 -0.106 -3.404 -5.894 11 HG3 PRO 15 HG3 PRO 15 -0.495 -5.026 -5.243 12 HD2 PRO 15 HD2 PRO 15 -2.313 -2.952 -5.352 13 HD3 PRO 15 HD3 PRO 15 -2.349 -4.220 -4.089 14 H CYS 16 H CYS 16 2.024 -1.067 -2.442 15 HA CYS 16 HA CYS 16 1.504 1.306 -4.048 16 HB2 CYS 16 2HB CYS 16 3.321 0.643 -1.734 17 HB3 CYS 16 3HB CYS 16 3.519 2.119 -2.668 18 H LEU 17 H LEU 17 1.896 0.243 -6.099 19 HA LEU 17 HA LEU 17 4.426 -0.523 -7.160 20 HB2 LEU 17 HB2 LEU 17 1.817 0.539 -8.223 21 HB3 LEU 17 HB3 LEU 17 3.189 0.572 -9.300 22 HG LEU 17 HG LEU 17 1.694 -1.416 -9.529 23 HD11 LEU 17 HD11 LEU 17 3.489 -3.006 -9.881 24 HD12 LEU 17 HD12 LEU 17 4.595 -2.061 -8.862 25 HD13 LEU 17 HD13 LEU 17 4.000 -1.395 -10.399 26 HD21 LEU 17 HD21 LEU 17 1.324 -1.896 -7.108 27 HD22 LEU 17 HD22 LEU 17 3.014 -2.434 -6.976 28 HD23 LEU 17 HD23 LEU 17 1.879 -3.300 -8.029 29 H SER 18 H SER 18 3.141 2.698 -6.505 30 HA SER 18 HA SER 18 5.035 4.291 -7.947 31 HB2 SER 18 HB2 SER 18 3.513 4.780 -5.372 32 HB3 SER 18 HB3 SER 18 4.370 6.053 -6.279 33 HG SER 18 HG SER 18 1.960 5.543 -6.647 34 H GLU 19 H GLU 19 5.038 3.196 -4.511 35 HA GLU 19 HA GLU 19 7.663 4.303 -3.919 36 HB2 GLU 19 HB2 GLU 19 6.118 2.075 -2.530 37 HB3 GLU 19 HB3 GLU 19 7.571 2.850 -1.911 38 HG2 GLU 19 HG2 GLU 19 4.892 4.229 -2.354 39 HG3 GLU 19 HG3 GLU 19 5.498 3.634 -0.817 40 H SER 20 H SER 20 6.430 1.222 -5.195 41 HA SER 20 HA SER 20 8.958 -0.219 -5.080 42 HB2 SER 20 HB2 SER 20 6.790 -1.332 -5.332 43 HB3 SER 20 HB3 SER 20 6.568 -0.581 -6.916 44 HG SER 20 HG SER 20 8.722 -2.331 -6.267 45 H ASP 21 H ASP 21 7.516 1.867 -7.588 46 HA ASP 21 HA ASP 21 9.664 1.631 -9.492 47 HB2 ASP 21 HB2 ASP 21 7.392 2.270 -10.092 48 HB3 ASP 21 HB3 ASP 21 7.465 3.688 -9.061 49 H ALA 22 H ALA 22 8.984 4.080 -6.910 50 HA ALA 22 HA ALA 22 11.254 5.737 -7.485 51 HB1 ALA 22 HB1 ALA 22 10.731 6.743 -5.294 52 HB2 ALA 22 HB2 ALA 22 9.268 6.512 -6.265 53 HB3 ALA 22 HB3 ALA 22 9.627 5.394 -4.932 54 H SER 23 H SER 23 10.825 3.098 -5.117 55 HA SER 23 HA SER 23 13.434 2.749 -4.114 56 HB2 SER 23 HB2 SER 23 11.376 1.522 -3.482 57 HB3 SER 23 HB3 SER 23 11.400 0.669 -5.010 58 HG SER 23 HG SER 23 12.198 -0.564 -3.428 59 H THR 24 H THR 24 12.058 1.216 -7.120 60 HA THR 24 HA THR 24 14.491 0.028 -7.961 61 HB THR 24 HB THR 24 12.077 0.911 -9.581 62 HG1 THR 24 HG1 THR 24 11.445 -0.562 -8.144 63 HG21 THR 24 HG21 THR 24 14.189 -1.166 -10.265 64 HG22 THR 24 HG22 THR 24 13.997 0.396 -11.097 65 HG23 THR 24 HG23 THR 24 12.714 -0.818 -11.182 66 H ARG 25 H ARG 25 13.255 3.287 -8.662 67 HA ARG 25 HA ARG 25 15.455 4.186 -10.315 68 HB2 ARG 25 HB2 ARG 25 13.348 5.589 -8.627 69 HB3 ARG 25 HB3 ARG 25 14.550 6.488 -9.550 70 HG2 ARG 25 HG2 ARG 25 13.668 5.905 -11.600 71 HG3 ARG 25 HG3 ARG 25 13.028 4.367 -11.035 72 HD2 ARG 25 HD2 ARG 25 11.198 5.775 -11.581 73 HD3 ARG 25 HD3 ARG 25 11.202 5.520 -9.841 74 HE ARG 25 HE ARG 25 12.567 7.950 -10.266 75 HH11 ARG 25 HH11 ARG 25 9.320 6.752 -10.883 76 HH12 ARG 25 HH12 ARG 25 8.692 8.388 -11.008 77 HH21 ARG 25 HH21 ARG 25 11.663 9.861 -10.096 78 HH22 ARG 25 HH22 ARG 25 9.931 10.112 -10.321 79 H CYS 26 H CYS 26 14.969 4.351 -6.762 80 HA CYS 26 HA CYS 26 17.436 5.652 -6.113 81 HB2 CYS 26 2HB CYS 26 15.801 5.393 -4.385 82 HB3 CYS 26 3HB CYS 26 15.692 3.658 -4.620 83 H LEU 27 H LEU 27 16.673 2.190 -6.517 84 HA LEU 27 HA LEU 27 19.271 1.156 -5.983 85 HB2 LEU 27 HB2 LEU 27 16.721 0.257 -7.324 86 HB3 LEU 27 HB3 LEU 27 18.143 -0.766 -7.445 87 HG LEU 27 HG LEU 27 18.301 -1.157 -5.276 88 HD11 LEU 27 HD11 LEU 27 16.487 1.053 -4.346 89 HD12 LEU 27 HD12 LEU 27 18.238 0.889 -4.066 90 HD13 LEU 27 HD13 LEU 27 17.116 -0.262 -3.350 91 HD21 LEU 27 HD21 LEU 27 16.130 -2.023 -6.395 92 HD22 LEU 27 HD22 LEU 27 15.270 -0.761 -5.517 93 HD23 LEU 27 HD23 LEU 27 16.076 -2.055 -4.623 94 H ASP 28 H ASP 28 17.823 2.057 -9.060 95 HA ASP 28 HA ASP 28 20.205 1.642 -10.657 96 HB2 ASP 28 HB2 ASP 28 18.010 2.005 -11.682 97 HB3 ASP 28 HB3 ASP 28 17.998 3.674 -11.100 98 H GLU 29 H GLU 29 19.240 4.509 -8.687 99 HA GLU 29 HA GLU 29 21.487 6.132 -9.405 100 HB2 GLU 29 HB2 GLU 29 19.180 6.181 -7.590 101 HB3 GLU 29 HB3 GLU 29 20.573 6.785 -6.757 102 HG2 GLU 29 HG2 GLU 29 19.761 7.760 -9.540 103 HG3 GLU 29 HG3 GLU 29 19.160 8.471 -8.046 104 H ASN 30 H ASN 30 21.196 3.710 -6.821 105 HA ASN 30 HA ASN 30 24.061 4.108 -6.147 106 HB2 ASN 30 HB2 ASN 30 23.264 3.843 -3.739 107 HB3 ASN 30 HB3 ASN 30 22.991 5.401 -4.512 108 HD21 ASN 30 HD21 ASN 30 21.287 2.302 -4.265 109 HD22 ASN 30 HD22 ASN 30 19.684 3.028 -4.180 110 H ASN 31 H ASN 31 24.048 2.179 -7.664 111 HA ASN 31 HA ASN 31 24.729 0.042 -7.867 112 HB2 ASN 31 HB2 ASN 31 25.672 0.495 -5.020 113 HB3 ASN 31 HB3 ASN 31 26.430 -0.518 -6.247 114 HD21 ASN 31 HD21 ASN 31 26.555 2.544 -4.794 115 HD22 ASN 31 HD22 ASN 31 27.472 3.346 -6.075 116 H TYR 32 H TYR 32 21.967 -0.022 -7.068 117 HA TYR 32 HA TYR 32 20.327 -1.242 -6.285 118 HB2 TYR 32 HB2 TYR 32 21.831 -2.965 -7.725 119 HB3 TYR 32 HB3 TYR 32 21.672 -3.871 -6.242 120 HD1 TYR 32 HD1 TYR 32 19.056 -3.799 -5.255 121 HD2 TYR 32 HD2 TYR 32 20.231 -3.230 -9.372 122 HE1 TYR 32 HE1 TYR 32 16.780 -4.415 -5.996 123 HE2 TYR 32 HE2 TYR 32 17.940 -3.835 -10.100 124 HH TYR 32 HH TYR 32 15.811 -4.319 -9.439 125 H ASP 33 H ASP 33 21.718 0.035 -4.282 126 HA ASP 33 HA ASP 33 21.946 -1.580 -1.937 127 HB2 ASP 33 HB2 ASP 33 23.284 0.441 -2.356 128 HB3 ASP 33 HB3 ASP 33 21.832 1.435 -2.181 129 H ARG 34 H ARG 34 19.823 -2.459 -2.465 130 HA ARG 34 HA ARG 34 17.461 -1.261 -1.251 131 HB2 ARG 34 HB2 ARG 34 16.416 -3.424 -1.530 132 HB3 ARG 34 HB3 ARG 34 17.269 -2.919 -2.983 133 HG2 ARG 34 HG2 ARG 34 19.152 -4.431 -2.439 134 HG3 ARG 34 HG3 ARG 34 18.310 -4.955 -0.971 135 HD2 ARG 34 HD2 ARG 34 16.414 -5.757 -2.346 136 HD3 ARG 34 HD3 ARG 34 17.225 -5.204 -3.811 137 HE ARG 34 HE ARG 34 19.077 -6.786 -3.287 138 HH11 ARG 34 HH11 ARG 34 15.895 -7.602 -1.877 139 HH12 ARG 34 HH12 ARG 34 16.188 -9.294 -2.188 140 HH21 ARG 34 HH21 ARG 34 19.460 -8.941 -3.110 141 HH22 ARG 34 HH22 ARG 34 18.260 -9.992 -2.437 142 H GLU 35 H GLU 35 20.125 -1.795 0.435 143 HA GLU 35 HA GLU 35 18.685 -2.652 2.924 144 HB2 GLU 35 HB2 GLU 35 21.600 -2.064 2.352 145 HB3 GLU 35 HB3 GLU 35 20.949 -2.224 3.985 146 HG2 GLU 35 HG2 GLU 35 20.226 -4.502 3.575 147 HG3 GLU 35 HG3 GLU 35 20.649 -4.381 1.861 148 H ARG 36 H ARG 36 20.344 0.209 1.474 149 HA ARG 36 HA ARG 36 19.251 1.998 3.572 150 HB2 ARG 36 HB2 ARG 36 20.961 2.344 1.116 151 HB3 ARG 36 HB3 ARG 36 20.100 3.730 1.749 152 HG2 ARG 36 HG2 ARG 36 22.415 3.589 2.621 153 HG3 ARG 36 HG3 ARG 36 21.168 3.647 3.856 154 HD2 ARG 36 HD2 ARG 36 22.841 2.140 4.594 155 HD3 ARG 36 HD3 ARG 36 21.398 1.198 4.217 156 HE ARG 36 HE ARG 36 22.975 1.146 1.886 157 HH11 ARG 36 HH11 ARG 36 23.265 -0.094 5.170 158 HH12 ARG 36 HH12 ARG 36 24.347 -1.373 4.658 159 HH21 ARG 36 HH21 ARG 36 24.387 -0.438 1.373 160 HH22 ARG 36 HH22 ARG 36 25.189 -1.364 2.641 161 H CYS 37 H CYS 37 18.369 1.226 0.184 162 HA CYS 37 HA CYS 37 15.841 2.731 0.622 163 HB2 CYS 37 2HB CYS 37 17.212 1.672 -1.797 164 HB3 CYS 37 3HB CYS 37 15.459 1.924 -1.841 165 H SER 38 H SER 38 16.504 0.258 2.178 166 HA SER 38 HA SER 38 14.413 -1.683 1.647 167 HB2 SER 38 HB2 SER 38 14.686 -2.228 4.042 168 HB3 SER 38 HB3 SER 38 16.242 -2.186 3.202 169 HG SER 38 HG SER 38 16.850 -0.571 4.381 170 H THR 39 H THR 39 14.478 1.540 3.097 171 HA THR 39 HA THR 39 12.167 1.609 4.631 172 HB THR 39 HB THR 39 12.075 4.034 4.088 173 HG1 THR 39 HG1 THR 39 13.584 4.862 2.680 174 HG21 THR 39 HG21 THR 39 13.715 3.167 5.766 175 HG22 THR 39 HG22 THR 39 14.271 4.636 4.938 176 HG23 THR 39 HG23 THR 39 14.930 3.053 4.471 177 H TYR 40 H TYR 40 12.393 2.153 1.157 178 HA TYR 40 HA TYR 40 9.645 2.608 0.593 179 HB2 TYR 40 HB2 TYR 40 11.824 1.318 -1.101 180 HB3 TYR 40 HB3 TYR 40 10.237 1.803 -1.690 181 HD1 TYR 40 HD2 TYR 40 13.358 3.172 -0.088 182 HD2 TYR 40 HD1 TYR 40 9.813 3.988 -2.409 183 HE1 TYR 40 HE2 TYR 40 14.160 5.492 -0.505 184 HE2 TYR 40 HE1 TYR 40 10.612 6.287 -2.834 185 HH TYR 40 HH TYR 40 12.098 7.903 -2.126 186 H PHE 41 H PHE 41 11.450 -0.510 0.601 187 HA PHE 41 HA PHE 41 9.212 -2.107 -0.205 188 HB2 PHE 41 HB2 PHE 41 11.570 -2.743 -0.480 189 HB3 PHE 41 HB3 PHE 41 11.776 -2.805 1.264 190 HD1 PHE 41 HD2 PHE 41 8.798 -4.233 -0.565 191 HD2 PHE 41 HD1 PHE 41 12.567 -5.032 1.382 192 HE1 PHE 41 HE2 PHE 41 8.347 -6.657 -0.687 193 HE2 PHE 41 HE1 PHE 41 12.093 -7.469 1.269 194 HZ PHE 41 HZ PHE 41 9.998 -8.287 0.210 195 H LEU 42 H LEU 42 10.486 -1.179 2.993 196 HA LEU 42 HA LEU 42 8.550 -2.574 4.566 197 HB2 LEU 42 HB2 LEU 42 10.548 -1.750 5.612 198 HB3 LEU 42 HB3 LEU 42 10.339 -0.147 4.933 199 HG LEU 42 HG LEU 42 8.404 0.271 6.445 200 HD11 LEU 42 HD11 LEU 42 8.114 -1.215 8.402 201 HD12 LEU 42 HD12 LEU 42 9.224 -2.390 7.675 202 HD13 LEU 42 HD13 LEU 42 7.664 -2.036 6.898 203 HD21 LEU 42 HD21 LEU 42 11.010 -0.539 7.770 204 HD22 LEU 42 HD22 LEU 42 9.768 0.528 8.468 205 HD23 LEU 42 HD23 LEU 42 10.650 1.028 7.019 206 H ARG 43 H ARG 43 8.467 0.823 3.390 207 HA ARG 43 HA ARG 43 5.809 1.308 4.422 208 HB2 ARG 43 HB2 ARG 43 7.348 2.663 2.192 209 HB3 ARG 43 HB3 ARG 43 5.865 3.287 2.956 210 HG2 ARG 43 HG2 ARG 43 6.917 3.715 5.006 211 HG3 ARG 43 HG3 ARG 43 8.267 2.637 4.673 212 HD2 ARG 43 HD2 ARG 43 9.020 4.170 2.864 213 HD3 ARG 43 HD3 ARG 43 7.730 5.302 3.320 214 HE ARG 43 HE ARG 43 9.156 4.763 5.687 215 HH11 ARG 43 HH11 ARG 43 10.089 6.134 2.555 216 HH12 ARG 43 HH12 ARG 43 11.329 7.107 3.333 217 HH21 ARG 43 HH21 ARG 43 10.625 6.023 6.506 218 HH22 ARG 43 HH22 ARG 43 11.611 7.086 5.488 219 H TYR 44 H TYR 44 6.931 -0.284 1.580 220 HA TYR 44 HA TYR 44 4.351 -0.340 0.178 221 HB2 TYR 44 HB2 TYR 44 6.246 -0.617 -1.175 222 HB3 TYR 44 HB3 TYR 44 6.946 -1.845 -0.137 223 HD1 TYR 44 HD2 TYR 44 5.906 -4.173 -0.028 224 HD2 TYR 44 HD1 TYR 44 4.898 -1.240 -3.025 225 HE1 TYR 44 HE2 TYR 44 4.914 -5.957 -1.436 226 HE2 TYR 44 HE1 TYR 44 3.954 -3.051 -4.465 227 HH TYR 44 HH TYR 44 3.723 -6.433 -3.319 228 H LYS 45 H LYS 45 6.113 -2.670 2.309 229 HA LYS 45 HA LYS 45 3.996 -4.578 2.514 230 HB2 LYS 45 HB2 LYS 45 6.269 -3.853 4.391 231 HB3 LYS 45 HB3 LYS 45 5.097 -5.115 4.758 232 HG2 LYS 45 HG2 LYS 45 5.681 -6.319 2.681 233 HG3 LYS 45 HG3 LYS 45 6.871 -5.074 2.277 234 HD2 LYS 45 HD2 LYS 45 8.057 -5.560 4.431 235 HD3 LYS 45 HD3 LYS 45 6.925 -6.883 4.737 236 HE2 LYS 45 HE2 LYS 45 8.795 -6.682 2.333 237 HE3 LYS 45 HE3 LYS 45 9.135 -7.592 3.807 238 HZ1 LYS 45 HZ1 LYS 45 8.259 -9.096 2.202 239 HZ2 LYS 45 HZ2 LYS 45 6.960 -8.158 1.878 240 HZ3 LYS 45 HZ3 LYS 45 7.107 -8.922 3.341 241 H ASN 46 H ASN 46 4.629 -1.670 4.530 242 HA ASN 46 HA ASN 46 2.339 -1.898 6.200 243 HB2 ASN 46 HB2 ASN 46 3.633 0.679 5.182 244 HB3 ASN 46 HB3 ASN 46 2.643 0.519 6.618 245 HD21 ASN 46 HD21 ASN 46 5.170 1.702 6.648 246 HD22 ASN 46 HD22 ASN 46 6.307 0.629 7.437 247 H CYS 47 H CYS 47 2.644 -0.122 3.077 248 HA CYS 47 HA CYS 47 0.044 0.856 2.801 249 HB2 CYS 47 2HB CYS 47 1.814 1.577 1.400 250 HB3 CYS 47 3HB CYS 47 2.214 -0.042 0.888 251 H ARG 48 H ARG 48 1.273 -2.284 1.465 252 HA ARG 48 HA ARG 48 -1.396 -3.089 0.698 253 HB2 ARG 48 HB2 ARG 48 -0.503 -5.138 0.021 254 HB3 ARG 48 HB3 ARG 48 0.574 -3.838 -0.452 255 HG2 ARG 48 HG2 ARG 48 2.042 -5.494 0.173 256 HG3 ARG 48 HG3 ARG 48 2.004 -4.475 1.612 257 HD2 ARG 48 HD2 ARG 48 0.583 -6.070 2.780 258 HD3 ARG 48 HD3 ARG 48 0.215 -6.885 1.274 259 HE ARG 48 HE ARG 48 2.268 -8.012 1.323 260 HH11 ARG 48 HH11 ARG 48 2.212 -5.819 4.116 261 HH12 ARG 48 HH12 ARG 48 3.302 -6.907 4.978 262 HH21 ARG 48 HH21 ARG 48 3.750 -9.128 2.503 263 HH22 ARG 48 HH22 ARG 48 4.172 -8.576 4.125 264 H ARG 49 H ARG 49 0.405 -3.652 3.695 265 HA ARG 49 HA ARG 49 -1.331 -5.628 4.820 266 HB2 ARG 49 HB2 ARG 49 0.907 -5.079 5.664 267 HB3 ARG 49 HB3 ARG 49 0.357 -3.471 6.164 268 HG2 ARG 49 HG2 ARG 49 -1.190 -4.568 7.805 269 HG3 ARG 49 HG3 ARG 49 -0.587 -6.148 7.257 270 HD2 ARG 49 HD2 ARG 49 1.755 -5.325 7.858 271 HD3 ARG 49 HD3 ARG 49 0.971 -3.910 8.597 272 HE ARG 49 HE ARG 49 -0.098 -6.453 9.542 273 HH11 ARG 49 HH11 ARG 49 2.570 -4.247 10.074 274 HH12 ARG 49 HH12 ARG 49 2.864 -4.830 11.694 275 HH21 ARG 49 HH21 ARG 49 0.293 -7.146 11.545 276 HH22 ARG 49 HH22 ARG 49 1.430 -6.327 12.596 277 H PHE 50 H PHE 50 -1.586 -2.092 4.790 278 HA PHE 50 HA PHE 50 -3.825 -1.861 6.608 279 HB2 PHE 50 HB2 PHE 50 -2.485 0.074 5.956 280 HB3 PHE 50 HB3 PHE 50 -2.894 -0.127 4.275 281 HD1 PHE 50 HD1 PHE 50 -4.393 0.674 7.617 282 HD2 PHE 50 HD2 PHE 50 -4.890 0.783 3.335 283 HE1 PHE 50 HE1 PHE 50 -6.494 1.971 7.887 284 HE2 PHE 50 HE2 PHE 50 -6.995 2.062 3.608 285 HZ PHE 50 HZ PHE 50 -7.816 2.633 5.883 286 H TRP 51 H TRP 51 -3.726 -1.699 3.060 287 HA TRP 51 HA TRP 51 -6.529 -1.907 2.718 288 HB2 TRP 51 HB2 TRP 51 -4.239 -2.493 0.817 289 HB3 TRP 51 HB3 TRP 51 -5.935 -2.516 0.346 290 HD1 TRP 51 HD1 TRP 51 -3.113 -0.127 0.523 291 HE1 TRP 51 HE1 TRP 51 -3.930 2.237 0.055 292 HE3 TRP 51 HE3 TRP 51 -8.135 -0.806 1.401 293 HZ2 TRP 51 HZ2 TRP 51 -6.371 3.741 0.401 294 HZ3 TRP 51 HZ3 TRP 51 -9.655 1.166 1.452 295 HH2 TRP 51 HH2 TRP 51 -8.781 3.437 0.965 296 H ASN 52 H ASN 52 -4.144 -4.605 2.801 297 HA ASN 52 HA ASN 52 -5.961 -6.733 2.352 298 HB2 ASN 52 HB2 ASN 52 -3.355 -6.406 3.901 299 HB3 ASN 52 HB3 ASN 52 -4.160 -7.935 3.758 300 HD21 ASN 52 HD21 ASN 52 -1.763 -8.102 2.892 301 HD22 ASN 52 HD22 ASN 52 -1.760 -8.195 1.138 302 H SER 53 H SER 53 -5.192 -4.946 5.405 303 HA SER 53 HA SER 53 -6.845 -6.548 7.112 304 HB2 SER 53 HB2 SER 53 -5.108 -4.837 7.813 305 HB3 SER 53 HB3 SER 53 -6.294 -3.581 7.446 306 HG SER 53 HG SER 53 -6.119 -4.428 9.664 307 H ILE 54 H ILE 54 -7.603 -3.541 5.247 308 HA ILE 54 HA ILE 54 -10.359 -3.366 6.035 309 HB ILE 54 HB ILE 54 -8.989 -2.426 3.481 310 HG12 ILE 54 HG12 ILE 54 -7.927 -1.400 5.410 311 HG13 ILE 54 HG13 ILE 54 -8.835 -0.229 4.499 312 HG21 ILE 54 HG21 ILE 54 -11.361 -2.429 3.059 313 HG22 ILE 54 HG22 ILE 54 -11.705 -1.668 4.624 314 HG23 ILE 54 HG23 ILE 54 -10.865 -0.761 3.346 315 HD11 ILE 54 HD11 ILE 54 -10.646 -0.290 6.216 316 HD12 ILE 54 HD12 ILE 54 -9.708 -1.491 7.139 317 HD13 ILE 54 HD13 ILE 54 -9.075 0.144 6.904 318 H VAL 55 H VAL 55 -8.863 -4.942 3.207 319 HA VAL 55 HA VAL 55 -11.137 -6.086 1.945 320 HB VAL 55 HB VAL 55 -8.243 -6.934 2.232 321 HG11 VAL 55 HG11 VAL 55 -10.352 -8.334 0.563 322 HG12 VAL 55 HG12 VAL 55 -8.601 -8.541 0.374 323 HG13 VAL 55 HG13 VAL 55 -9.384 -9.050 1.869 324 HG21 VAL 55 HG21 VAL 55 -8.925 -4.904 0.849 325 HG22 VAL 55 HG22 VAL 55 -8.040 -6.168 -0.012 326 HG23 VAL 55 HG23 VAL 55 -9.800 -6.022 -0.210 327 H MET 56 H MET 56 -9.119 -7.548 4.598 328 HA MET 56 HA MET 56 -10.859 -9.815 4.898 329 HB2 MET 56 HB2 MET 56 -8.803 -8.500 6.714 330 HB3 MET 56 HB3 MET 56 -9.718 -9.932 7.191 331 HG2 MET 56 HG2 MET 56 -8.923 -11.128 5.175 332 HG3 MET 56 HG3 MET 56 -7.992 -9.715 4.688 333 HE1 MET 56 HE1 MET 56 -5.331 -12.452 5.682 334 HE2 MET 56 HE2 MET 56 -6.943 -12.758 5.005 335 HE3 MET 56 HE3 MET 56 -5.956 -11.420 4.375 336 H GLN 57 H GLN 57 -10.994 -6.587 6.428 337 HA GLN 57 HA GLN 57 -13.046 -7.324 8.341 338 HB2 GLN 57 HB2 GLN 57 -12.435 -4.548 7.183 339 HB3 GLN 57 HB3 GLN 57 -13.485 -4.888 8.539 340 HG2 GLN 57 HG2 GLN 57 -10.512 -4.777 8.475 341 HG3 GLN 57 HG3 GLN 57 -11.641 -4.129 9.629 342 HE21 GLN 57 HE21 GLN 57 -9.644 -6.838 8.819 343 HE22 GLN 57 HE22 GLN 57 -10.076 -7.846 10.210 344 H ARG 58 H ARG 58 -13.261 -6.135 4.986 345 HA ARG 58 HA ARG 58 -16.231 -6.271 5.204 346 HB2 ARG 58 HB2 ARG 58 -16.357 -5.278 3.095 347 HB3 ARG 58 HB3 ARG 58 -15.175 -4.430 4.080 348 HG2 ARG 58 HG2 ARG 58 -13.366 -5.657 2.802 349 HG3 ARG 58 HG3 ARG 58 -14.602 -6.209 1.677 350 HD2 ARG 58 HD2 ARG 58 -14.483 -3.249 2.317 351 HD3 ARG 58 HD3 ARG 58 -13.152 -3.924 1.403 352 HE ARG 58 HE ARG 58 -14.705 -4.662 -0.335 353 HH11 ARG 58 HH11 ARG 58 -16.103 -2.097 1.686 354 HH12 ARG 58 HH12 ARG 58 -16.782 -1.344 0.241 355 HH21 ARG 58 HH21 ARG 58 -15.790 -3.706 -1.928 356 HH22 ARG 58 HH22 ARG 58 -16.447 -2.078 -1.703 357 H ARG 59 H ARG 59 -13.691 -8.256 3.959 358 HA ARG 59 HA ARG 59 -15.375 -10.049 2.459 359 HB2 ARG 59 HB2 ARG 59 -13.007 -9.866 1.974 360 HB3 ARG 59 HB3 ARG 59 -12.583 -10.518 3.564 361 HG2 ARG 59 HG2 ARG 59 -13.273 -12.670 3.026 362 HG3 ARG 59 HG3 ARG 59 -14.356 -12.141 1.731 363 HD2 ARG 59 HD2 ARG 59 -12.433 -11.557 0.331 364 HD3 ARG 59 HD3 ARG 59 -11.326 -12.156 1.595 365 HE ARG 59 HE ARG 59 -13.047 -14.278 1.169 366 HH11 ARG 59 HH11 ARG 59 -11.169 -12.442 -1.161 367 HH12 ARG 59 HH12 ARG 59 -11.439 -13.655 -2.408 368 HH21 ARG 59 HH21 ARG 59 -12.884 -15.943 -0.297 369 HH22 ARG 59 HH22 ARG 59 -12.057 -15.692 -1.809 370 H LYS 60 H LYS 60 -14.866 -9.932 5.947 371 HA LYS 60 HA LYS 60 -15.697 -12.520 6.630 372 HB2 LYS 60 HB2 LYS 60 -16.337 -11.654 8.694 373 HB3 LYS 60 HB3 LYS 60 -15.030 -10.617 8.127 374 HG2 LYS 60 HG2 LYS 60 -16.748 -8.908 7.439 375 HG3 LYS 60 HG3 LYS 60 -18.015 -9.952 8.125 376 HD2 LYS 60 HD2 LYS 60 -16.869 -9.922 10.301 377 HD3 LYS 60 HD3 LYS 60 -15.625 -8.844 9.630 378 HE2 LYS 60 HE2 LYS 60 -17.301 -7.108 9.234 379 HE3 LYS 60 HE3 LYS 60 -18.593 -8.158 9.835 380 HZ1 LYS 60 HZ1 LYS 60 -16.281 -7.199 11.425 381 HZ2 LYS 60 HZ2 LYS 60 -17.510 -8.132 12.017 382 HZ3 LYS 60 HZ3 LYS 60 -17.810 -6.595 11.542 383 H ASN 61 H ASN 61 -17.750 -10.097 5.113 384 HA ASN 61 HA ASN 61 -20.200 -11.578 5.628 385 HB2 ASN 61 HB2 ASN 61 -19.693 -9.204 3.804 386 HB3 ASN 61 HB3 ASN 61 -21.258 -9.822 4.334 387 HD21 ASN 61 HD21 ASN 61 -18.450 -7.993 5.241 388 HD22 ASN 61 HD22 ASN 61 -19.060 -7.479 6.813 389 H GLY 62 H GLY 62 -17.752 -11.663 3.155 390 HA2 GLY 62 HA2 GLY 62 -17.361 -13.130 1.476 391 HA3 GLY 62 HA3 GLY 62 -18.720 -14.065 2.083 392 H VAL 63 H VAL 63 -19.562 -10.922 0.971 393 HA VAL 63 HA VAL 63 -20.981 -12.199 -1.337 394 HB VAL 63 HB VAL 63 -22.121 -12.125 0.831 395 HG11 VAL 63 HG11 VAL 63 -21.168 -10.063 1.777 396 HG12 VAL 63 HG12 VAL 63 -21.997 -9.107 0.525 397 HG13 VAL 63 HG13 VAL 63 -22.932 -9.984 1.751 398 HG21 VAL 63 HG21 VAL 63 -23.567 -10.261 -1.052 399 HG22 VAL 63 HG22 VAL 63 -23.417 -12.021 -1.306 400 HG23 VAL 63 HG23 VAL 63 -24.238 -11.386 0.135 401 H LYS 64 H LYS 64 -18.859 -9.709 -0.939 402 HA LYS 64 HA LYS 64 -20.052 -7.948 -3.042 403 HB2 LYS 64 HB2 LYS 64 -19.529 -6.049 -1.622 404 HB3 LYS 64 HB3 LYS 64 -20.534 -7.176 -0.736 405 HG2 LYS 64 HG2 LYS 64 -18.977 -7.534 0.867 406 HG3 LYS 64 HG3 LYS 64 -17.660 -7.691 -0.294 407 HD2 LYS 64 HD2 LYS 64 -17.292 -5.796 1.195 408 HD3 LYS 64 HD3 LYS 64 -17.386 -5.354 -0.499 409 HE2 LYS 64 HE2 LYS 64 -18.527 -3.644 0.737 410 HE3 LYS 64 HE3 LYS 64 -19.723 -4.558 -0.180 411 HZ1 LYS 64 HZ1 LYS 64 -19.222 -4.896 2.734 412 HZ2 LYS 64 HZ2 LYS 64 -20.342 -5.714 1.844 413 HZ3 LYS 64 HZ3 LYS 64 -20.472 -4.103 2.046 414 HA PRO 65 HA PRO 65 -15.874 -7.583 -4.696 415 HB2 PRO 65 HB2 PRO 65 -15.461 -4.860 -5.006 416 HB3 PRO 65 HB3 PRO 65 -16.453 -5.860 -6.110 417 HG2 PRO 65 HG2 PRO 65 -17.424 -4.200 -3.760 418 HG3 PRO 65 HG3 PRO 65 -18.023 -4.195 -5.448 419 HD2 PRO 65 HD2 PRO 65 -19.306 -5.668 -3.612 420 HD3 PRO 65 HD3 PRO 65 -18.967 -6.395 -5.194 421 H PHE 66 H PHE 66 -14.174 -8.011 -3.468 422 HA PHE 66 HA PHE 66 -14.099 -7.159 -0.716 423 HB2 PHE 66 HB2 PHE 66 -12.155 -8.840 -2.338 424 HB3 PHE 66 HB3 PHE 66 -12.178 -8.684 -0.589 425 HD1 PHE 66 HD2 PHE 66 -14.738 -8.990 0.401 426 HD2 PHE 66 HD1 PHE 66 -13.101 -10.811 -3.132 427 HE1 PHE 66 HE2 PHE 66 -16.428 -10.828 0.570 428 HE2 PHE 66 HE1 PHE 66 -14.751 -12.685 -2.932 429 HZ PHE 66 HZ PHE 66 -16.399 -12.687 -1.063 430 H MET 67 H MET 67 -11.843 -6.624 -3.454 431 HA MET 67 HA MET 67 -10.339 -4.583 -2.036 432 HB2 MET 67 HB2 MET 67 -10.616 -5.358 -4.949 433 HB3 MET 67 HB3 MET 67 -9.785 -3.880 -4.473 434 HG2 MET 67 HG2 MET 67 -9.076 -6.632 -3.410 435 HG3 MET 67 HG3 MET 67 -8.258 -5.838 -4.754 436 HE1 MET 67 HE1 MET 67 -5.725 -5.840 -1.673 437 HE2 MET 67 HE2 MET 67 -6.983 -7.045 -2.014 438 HE3 MET 67 HE3 MET 67 -5.985 -6.410 -3.339 439 HA PRO 68 HA PRO 68 -13.800 -1.773 -2.073 440 HB2 PRO 68 HB2 PRO 68 -12.584 0.523 -1.148 441 HB3 PRO 68 HB3 PRO 68 -13.019 -0.875 -0.117 442 HG2 PRO 68 HG2 PRO 68 -10.332 -0.229 -1.363 443 HG3 PRO 68 HG3 PRO 68 -10.685 -0.739 0.320 444 HD2 PRO 68 HD2 PRO 68 -9.836 -2.516 -1.563 445 HD3 PRO 68 HD3 PRO 68 -11.045 -2.979 -0.328 446 H THR 69 H THR 69 -14.739 -0.430 -3.501 447 HA THR 69 HA THR 69 -13.393 0.151 -6.002 448 HB THR 69 HB THR 69 -15.577 1.109 -6.667 449 HG1 THR 69 HG1 THR 69 -16.355 0.362 -4.037 450 HG21 THR 69 HG21 THR 69 -15.235 -1.323 -6.922 451 HG22 THR 69 HG22 THR 69 -16.923 -0.924 -6.560 452 HG23 THR 69 HG23 THR 69 -15.883 -1.596 -5.287 453 H ALA 70 H ALA 70 -13.436 2.266 -6.990 454 HA ALA 70 HA ALA 70 -11.723 3.946 -5.700 455 HB1 ALA 70 HB1 ALA 70 -12.104 3.941 -8.112 456 HB2 ALA 70 HB2 ALA 70 -13.690 4.713 -7.893 457 HB3 ALA 70 HB3 ALA 70 -12.203 5.596 -7.481 458 H ALA 71 H ALA 71 -15.280 4.535 -5.696 459 HA ALA 71 HA ALA 71 -15.218 6.949 -4.178 460 HB1 ALA 71 HB1 ALA 71 -17.388 4.804 -4.359 461 HB2 ALA 71 HB2 ALA 71 -17.613 6.487 -3.843 462 HB3 ALA 71 HB3 ALA 71 -17.153 6.126 -5.518 463 H GLU 72 H GLU 72 -15.316 3.535 -3.120 464 HA GLU 72 HA GLU 72 -15.744 4.042 -0.306 465 HB2 GLU 72 HB2 GLU 72 -14.665 1.596 -1.758 466 HB3 GLU 72 HB3 GLU 72 -15.188 1.659 -0.078 467 HG2 GLU 72 HG2 GLU 72 -17.485 2.128 -0.753 468 HG3 GLU 72 HG3 GLU 72 -17.022 2.216 -2.452 469 H ARG 73 H ARG 73 -12.935 3.106 -2.337 470 HA ARG 73 HA ARG 73 -10.833 3.259 -0.467 471 HB2 ARG 73 HB2 ARG 73 -10.755 2.457 -2.869 472 HB3 ARG 73 HB3 ARG 73 -10.852 4.151 -3.384 473 HG2 ARG 73 HG2 ARG 73 -8.684 4.635 -2.346 474 HG3 ARG 73 HG3 ARG 73 -8.579 2.967 -1.739 475 HD2 ARG 73 HD2 ARG 73 -8.493 2.070 -3.978 476 HD3 ARG 73 HD3 ARG 73 -8.865 3.648 -4.691 477 HE ARG 73 HE ARG 73 -6.498 3.958 -3.159 478 HH11 ARG 73 HH11 ARG 73 -7.259 1.820 -5.857 479 HH12 ARG 73 HH12 ARG 73 -5.728 2.123 -6.623 480 HH21 ARG 73 HH21 ARG 73 -4.707 4.492 -4.321 481 HH22 ARG 73 HH22 ARG 73 -4.240 3.461 -5.666 482 H ASP 74 H ASP 74 -12.303 5.904 -2.349 483 HA ASP 74 HA ASP 74 -10.627 7.985 -1.342 484 HB2 ASP 74 HB2 ASP 74 -11.926 8.265 -3.351 485 HB3 ASP 74 HB3 ASP 74 -13.430 7.943 -2.517 486 H GLU 75 H GLU 75 -13.995 7.034 -0.287 487 HA GLU 75 HA GLU 75 -13.900 8.962 1.856 488 HB2 GLU 75 HB2 GLU 75 -16.000 8.278 2.491 489 HB3 GLU 75 HB3 GLU 75 -15.978 8.208 0.741 490 HG2 GLU 75 HG2 GLU 75 -15.748 5.745 0.847 491 HG3 GLU 75 HG3 GLU 75 -15.764 5.774 2.597 492 H ILE 76 H ILE 76 -12.731 5.732 1.673 493 HA ILE 76 HA ILE 76 -12.463 5.338 4.553 494 HB ILE 76 HB ILE 76 -11.567 3.802 2.104 495 HG12 ILE 76 HG12 ILE 76 -13.472 2.965 4.344 496 HG13 ILE 76 HG13 ILE 76 -14.042 3.930 2.998 497 HG21 ILE 76 HG21 ILE 76 -11.038 3.148 5.026 498 HG22 ILE 76 HG22 ILE 76 -10.870 1.986 3.687 499 HG23 ILE 76 HG23 ILE 76 -9.838 3.421 3.747 500 HD11 ILE 76 HD11 ILE 76 -13.256 2.148 1.404 501 HD12 ILE 76 HD12 ILE 76 -12.947 1.116 2.822 502 HD13 ILE 76 HD13 ILE 76 -14.589 1.723 2.469 503 H LEU 77 H LEU 77 -10.193 6.272 1.867 504 HA LEU 77 HA LEU 77 -7.911 6.729 3.574 505 HB2 LEU 77 HB2 LEU 77 -8.909 7.912 0.974 506 HB3 LEU 77 HB3 LEU 77 -7.533 8.626 1.795 507 HG LEU 77 HG LEU 77 -7.634 5.691 0.989 508 HD11 LEU 77 HD11 LEU 77 -7.796 7.180 -0.950 509 HD12 LEU 77 HD12 LEU 77 -6.199 6.411 -0.891 510 HD13 LEU 77 HD13 LEU 77 -6.392 8.109 -0.384 511 HD21 LEU 77 HD21 LEU 77 -5.331 7.508 1.857 512 HD22 LEU 77 HD22 LEU 77 -5.142 5.847 1.247 513 HD23 LEU 77 HD23 LEU 77 -5.980 6.141 2.779 514 H ARG 78 H ARG 78 -10.764 8.684 2.816 515 HA ARG 78 HA ARG 78 -9.977 10.950 4.447 516 HB2 ARG 78 HB2 ARG 78 -12.705 10.111 3.420 517 HB3 ARG 78 HB3 ARG 78 -12.380 11.627 4.270 518 HG2 ARG 78 HG2 ARG 78 -10.867 12.386 2.556 519 HG3 ARG 78 HG3 ARG 78 -10.928 10.841 1.715 520 HD2 ARG 78 HD2 ARG 78 -13.475 11.255 1.496 521 HD3 ARG 78 HD3 ARG 78 -13.124 12.925 1.958 522 HE ARG 78 HE ARG 78 -12.526 11.553 -0.568 523 HH11 ARG 78 HH11 ARG 78 -11.673 14.434 1.288 524 HH12 ARG 78 HH12 ARG 78 -10.857 15.138 -0.096 525 HH21 ARG 78 HH21 ARG 78 -11.405 12.412 -2.119 526 HH22 ARG 78 HH22 ARG 78 -10.693 14.015 -2.020 527 H ALA 79 H ALA 79 -11.879 8.020 5.163 528 HA ALA 79 HA ALA 79 -12.453 8.694 7.872 529 HB1 ALA 79 HB1 ALA 79 -12.966 6.351 8.165 530 HB2 ALA 79 HB2 ALA 79 -13.538 6.841 6.564 531 HB3 ALA 79 HB3 ALA 79 -12.038 5.905 6.724 532 H VAL 80 H VAL 80 -9.445 7.294 6.474 533 HA VAL 80 HA VAL 80 -8.198 6.912 9.102 534 HB VAL 80 HB VAL 80 -6.948 7.216 6.338 535 HG11 VAL 80 HG11 VAL 80 -4.959 6.169 7.373 536 HG12 VAL 80 HG12 VAL 80 -5.314 7.722 8.124 537 HG13 VAL 80 HG13 VAL 80 -5.755 6.222 8.964 538 HG21 VAL 80 HG21 VAL 80 -7.501 4.719 8.005 539 HG22 VAL 80 HG22 VAL 80 -8.363 5.182 6.525 540 HG23 VAL 80 HG23 VAL 80 -6.646 4.783 6.445 541 H GLY 81 H GLY 81 -8.193 9.443 6.580 542 HA2 GLY 81 HA2 GLY 81 -8.073 11.749 6.832 543 HA3 GLY 81 HA3 GLY 81 -7.790 11.554 8.565 544 H ASN 82 H ASN 82 -5.711 9.526 6.937 545 HA ASN 82 HA ASN 82 -3.572 11.400 6.306 546 HB2 ASN 82 HB2 ASN 82 -3.525 10.977 8.868 547 HB3 ASN 82 HB3 ASN 82 -3.094 9.314 8.495 548 HD21 ASN 82 HD21 ASN 82 -0.917 8.901 7.635 549 HD22 ASN 82 HD22 ASN 82 0.305 10.139 7.772 550 H MET 83 H MET 83 -1.601 10.032 5.533 551 HA MET 83 HA MET 83 -2.327 7.870 3.756 552 HB2 MET 83 HB2 MET 83 -0.393 9.596 3.575 553 HB3 MET 83 HB3 MET 83 0.383 8.672 4.849 554 HG2 MET 83 HG2 MET 83 1.382 7.668 3.100 555 HG3 MET 83 HG3 MET 83 -0.046 6.651 3.092 556 HE1 MET 83 HE1 MET 83 -1.987 7.793 -0.028 557 HE2 MET 83 HE2 MET 83 -1.847 6.690 1.361 558 HE3 MET 83 HE3 MET 83 -2.347 8.383 1.610 559 HA PRO 84 HA PRO 84 -1.979 4.925 7.212 560 HB2 PRO 84 HB2 PRO 84 -2.230 2.558 5.773 561 HB3 PRO 84 HB3 PRO 84 -3.569 3.573 6.370 562 HG2 PRO 84 HG2 PRO 84 -2.562 3.291 3.573 563 HG3 PRO 84 HG3 PRO 84 -4.172 3.764 4.164 564 HD2 PRO 84 HD2 PRO 84 -2.172 5.531 3.217 565 HD3 PRO 84 HD3 PRO 84 -3.644 5.999 4.114 566 H TYR 85 H TYR 85 0.153 5.379 4.643 567 HA TYR 85 HA TYR 85 2.336 3.826 5.917 568 HB2 TYR 85 HB2 TYR 85 3.238 3.406 3.620 569 HB3 TYR 85 HB3 TYR 85 1.769 2.553 4.027 570 HD1 TYR 85 HD1 TYR 85 -0.414 3.226 3.061 571 HD2 TYR 85 HD2 TYR 85 3.291 4.949 1.729 572 HE1 TYR 85 HE1 TYR 85 -1.543 3.997 0.968 573 HE2 TYR 85 HE2 TYR 85 2.199 5.640 -0.403 574 HH TYR 85 HH TYR 85 0.269 5.640 -1.654 Start of MODEL 12 1 H ASN 14 H1 ASN 14 -5.179 1.476 -3.201 2 HA ASN 14 HA ASN 14 -3.634 0.349 -4.665 3 HB2 ASN 14 HB2 ASN 14 -3.207 3.358 -4.387 4 HB3 ASN 14 HB3 ASN 14 -2.634 2.392 -5.746 5 HD21 ASN 14 HD21 ASN 14 -4.027 2.390 -7.501 6 HD22 ASN 14 HD22 ASN 14 -5.778 2.466 -7.365 7 HA PRO 15 HA PRO 15 0.584 -0.169 -3.178 8 HB2 PRO 15 HB2 PRO 15 1.948 -0.596 -5.516 9 HB3 PRO 15 HB3 PRO 15 0.861 -1.809 -4.779 10 HG2 PRO 15 HG2 PRO 15 0.239 0.154 -7.008 11 HG3 PRO 15 HG3 PRO 15 -0.108 -1.604 -6.955 12 HD2 PRO 15 HD2 PRO 15 -1.968 0.287 -6.329 13 HD3 PRO 15 HD3 PRO 15 -1.914 -1.292 -5.487 14 H CYS 16 H CYS 16 2.642 0.955 -3.221 15 HA CYS 16 HA CYS 16 2.235 3.825 -3.834 16 HB2 CYS 16 2HB CYS 16 3.899 2.295 -1.853 17 HB3 CYS 16 3HB CYS 16 4.194 4.007 -2.205 18 H LEU 17 H LEU 17 2.559 3.827 -6.000 19 HA LEU 17 HA LEU 17 4.817 2.782 -7.374 20 HB2 LEU 17 HB2 LEU 17 2.631 4.764 -8.016 21 HB3 LEU 17 HB3 LEU 17 4.050 4.697 -9.048 22 HG LEU 17 HG LEU 17 3.705 2.231 -9.345 23 HD11 LEU 17 HD11 LEU 17 1.421 1.353 -8.920 24 HD12 LEU 17 HD12 LEU 17 1.028 2.831 -8.018 25 HD13 LEU 17 HD13 LEU 17 2.286 1.716 -7.424 26 HD21 LEU 17 HD21 LEU 17 1.482 4.099 -10.240 27 HD22 LEU 17 HD22 LEU 17 1.902 2.544 -10.994 28 HD23 LEU 17 HD23 LEU 17 3.054 3.882 -11.034 29 H SER 18 H SER 18 4.401 5.852 -5.685 30 HA SER 18 HA SER 18 6.608 7.293 -6.796 31 HB2 SER 18 HB2 SER 18 5.370 7.378 -4.030 32 HB3 SER 18 HB3 SER 18 6.522 8.580 -4.649 33 HG SER 18 HG SER 18 4.384 9.248 -4.858 34 H GLU 19 H GLU 19 6.461 5.537 -3.635 35 HA GLU 19 HA GLU 19 9.262 5.389 -3.177 36 HB2 GLU 19 HB2 GLU 19 6.910 3.669 -2.258 37 HB3 GLU 19 HB3 GLU 19 8.564 3.383 -1.747 38 HG2 GLU 19 HG2 GLU 19 7.541 4.594 -0.011 39 HG3 GLU 19 HG3 GLU 19 8.709 5.651 -0.789 40 H SER 20 H SER 20 7.109 3.259 -5.079 41 HA SER 20 HA SER 20 9.072 1.161 -5.476 42 HB2 SER 20 HB2 SER 20 6.617 0.910 -5.846 43 HB3 SER 20 HB3 SER 20 6.775 1.919 -7.295 44 HG SER 20 HG SER 20 7.890 -0.641 -6.771 45 H ASP 21 H ASP 21 8.303 4.089 -7.404 46 HA ASP 21 HA ASP 21 10.270 3.631 -9.477 47 HB2 ASP 21 HB2 ASP 21 8.389 5.054 -9.894 48 HB3 ASP 21 HB3 ASP 21 8.710 6.029 -8.464 49 H ALA 22 H ALA 22 10.292 5.643 -6.477 50 HA ALA 22 HA ALA 22 12.935 6.626 -6.837 51 HB1 ALA 22 HB1 ALA 22 11.180 7.660 -5.439 52 HB2 ALA 22 HB2 ALA 22 11.299 6.310 -4.288 53 HB3 ALA 22 HB3 ALA 22 12.679 7.405 -4.545 54 H SER 23 H SER 23 11.789 3.667 -5.167 55 HA SER 23 HA SER 23 14.435 2.852 -4.315 56 HB2 SER 23 HB2 SER 23 13.454 0.633 -3.944 57 HB3 SER 23 HB3 SER 23 12.587 1.951 -3.152 58 HG SER 23 HG SER 23 10.978 1.823 -4.571 59 H THR 24 H THR 24 12.458 2.044 -7.244 60 HA THR 24 HA THR 24 14.359 0.286 -8.454 61 HB THR 24 HB THR 24 12.468 2.265 -9.792 62 HG1 THR 24 HG1 THR 24 11.313 0.895 -8.581 63 HG21 THR 24 HG21 THR 24 14.096 1.430 -11.435 64 HG22 THR 24 HG22 THR 24 12.512 0.689 -11.695 65 HG23 THR 24 HG23 THR 24 13.798 -0.241 -10.904 66 H ARG 25 H ARG 25 14.112 3.840 -8.610 67 HA ARG 25 HA ARG 25 16.506 4.382 -10.107 68 HB2 ARG 25 HB2 ARG 25 14.841 6.000 -8.141 69 HB3 ARG 25 HB3 ARG 25 16.251 6.671 -8.959 70 HG2 ARG 25 HG2 ARG 25 15.252 6.630 -11.075 71 HG3 ARG 25 HG3 ARG 25 14.088 5.388 -10.623 72 HD2 ARG 25 HD2 ARG 25 12.915 7.453 -10.887 73 HD3 ARG 25 HD3 ARG 25 12.875 6.965 -9.195 74 HE ARG 25 HE ARG 25 15.035 8.802 -9.501 75 HH11 ARG 25 HH11 ARG 25 11.497 8.886 -9.696 76 HH12 ARG 25 HH12 ARG 25 11.523 10.629 -9.382 77 HH21 ARG 25 HH21 ARG 25 14.784 10.930 -8.746 78 HH22 ARG 25 HH22 ARG 25 13.197 11.662 -8.908 79 H CYS 26 H CYS 26 16.017 4.056 -6.560 80 HA CYS 26 HA CYS 26 18.709 4.571 -5.764 81 HB2 CYS 26 2HB CYS 26 17.113 4.491 -4.029 82 HB3 CYS 26 3HB CYS 26 16.483 2.928 -4.552 83 H LEU 27 H LEU 27 17.140 1.480 -6.624 84 HA LEU 27 HA LEU 27 19.456 -0.150 -6.185 85 HB2 LEU 27 HB2 LEU 27 16.747 -0.364 -7.511 86 HB3 LEU 27 HB3 LEU 27 17.919 -1.640 -7.789 87 HG LEU 27 HG LEU 27 18.076 -2.248 -5.646 88 HD11 LEU 27 HD11 LEU 27 17.116 -1.340 -3.609 89 HD12 LEU 27 HD12 LEU 27 16.651 0.134 -4.482 90 HD13 LEU 27 HD13 LEU 27 18.363 -0.307 -4.276 91 HD21 LEU 27 HD21 LEU 27 15.747 -2.800 -4.995 92 HD22 LEU 27 HD22 LEU 27 15.820 -2.688 -6.762 93 HD23 LEU 27 HD23 LEU 27 15.164 -1.341 -5.838 94 H ASP 28 H ASP 28 18.237 1.372 -9.093 95 HA ASP 28 HA ASP 28 20.537 0.621 -10.714 96 HB2 ASP 28 HB2 ASP 28 18.459 1.299 -11.745 97 HB3 ASP 28 HB3 ASP 28 18.634 2.934 -11.088 98 H GLU 29 H GLU 29 20.065 3.516 -8.562 99 HA GLU 29 HA GLU 29 22.467 4.867 -9.133 100 HB2 GLU 29 HB2 GLU 29 20.376 4.826 -7.051 101 HB3 GLU 29 HB3 GLU 29 21.941 5.092 -6.342 102 HG2 GLU 29 HG2 GLU 29 22.251 6.926 -8.076 103 HG3 GLU 29 HG3 GLU 29 20.588 6.670 -8.580 104 H ASN 30 H ASN 30 21.879 2.410 -6.588 105 HA ASN 30 HA ASN 30 24.812 2.172 -6.127 106 HB2 ASN 30 HB2 ASN 30 24.087 1.815 -3.729 107 HB3 ASN 30 HB3 ASN 30 23.905 3.441 -4.373 108 HD21 ASN 30 HD21 ASN 30 21.995 0.437 -4.199 109 HD22 ASN 30 HD22 ASN 30 20.442 1.287 -4.058 110 H ASN 31 H ASN 31 24.206 0.489 -7.949 111 HA ASN 31 HA ASN 31 23.972 -1.718 -8.566 112 HB2 ASN 31 HB2 ASN 31 26.287 -1.084 -7.880 113 HB3 ASN 31 HB3 ASN 31 26.002 -1.859 -6.317 114 HD21 ASN 31 HD21 ASN 31 28.011 -3.026 -7.270 115 HD22 ASN 31 HD22 ASN 31 27.606 -4.487 -8.193 116 H TYR 32 H TYR 32 21.700 -1.643 -7.516 117 HA TYR 32 HA TYR 32 20.020 -2.548 -6.449 118 HB2 TYR 32 HB2 TYR 32 21.074 -4.321 -8.137 119 HB3 TYR 32 HB3 TYR 32 21.012 -5.328 -6.714 120 HD1 TYR 32 HD1 TYR 32 18.566 -5.128 -5.408 121 HD2 TYR 32 HD2 TYR 32 19.272 -4.253 -9.572 122 HE1 TYR 32 HE1 TYR 32 16.167 -5.440 -5.874 123 HE2 TYR 32 HE2 TYR 32 16.851 -4.560 -10.030 124 HH TYR 32 HH TYR 32 14.800 -5.039 -9.148 125 H ASP 33 H ASP 33 21.718 -1.615 -4.472 126 HA ASP 33 HA ASP 33 21.746 -3.469 -2.261 127 HB2 ASP 33 HB2 ASP 33 23.319 -1.474 -2.683 128 HB3 ASP 33 HB3 ASP 33 22.070 -0.483 -1.939 129 H ARG 34 H ARG 34 19.497 -3.952 -2.841 130 HA ARG 34 HA ARG 34 17.338 -2.497 -1.539 131 HB2 ARG 34 HB2 ARG 34 16.025 -4.597 -1.752 132 HB3 ARG 34 HB3 ARG 34 16.710 -3.978 -3.235 133 HG2 ARG 34 HG2 ARG 34 16.889 -6.331 -3.331 134 HG3 ARG 34 HG3 ARG 34 18.502 -5.675 -3.159 135 HD2 ARG 34 HD2 ARG 34 18.319 -7.678 -1.879 136 HD3 ARG 34 HD3 ARG 34 18.530 -6.322 -0.770 137 HE ARG 34 HE ARG 34 15.739 -6.748 -1.018 138 HH11 ARG 34 HH11 ARG 34 18.383 -8.860 0.012 139 HH12 ARG 34 HH12 ARG 34 17.519 -9.271 1.484 140 HH21 ARG 34 HH21 ARG 34 14.593 -7.766 0.524 141 HH22 ARG 34 HH22 ARG 34 15.345 -9.008 1.521 142 H GLU 35 H GLU 35 19.941 -3.641 -0.031 143 HA GLU 35 HA GLU 35 18.529 -4.347 2.503 144 HB2 GLU 35 HB2 GLU 35 21.492 -4.259 1.872 145 HB3 GLU 35 HB3 GLU 35 20.764 -4.744 3.406 146 HG2 GLU 35 HG2 GLU 35 19.627 -6.638 2.263 147 HG3 GLU 35 HG3 GLU 35 20.353 -6.160 0.729 148 H ARG 36 H ARG 36 20.708 -1.813 1.135 149 HA ARG 36 HA ARG 36 20.352 0.091 3.304 150 HB2 ARG 36 HB2 ARG 36 21.232 0.326 0.428 151 HB3 ARG 36 HB3 ARG 36 20.992 1.735 1.474 152 HG2 ARG 36 HG2 ARG 36 22.547 0.822 3.149 153 HG3 ARG 36 HG3 ARG 36 22.844 -0.602 2.127 154 HD2 ARG 36 HD2 ARG 36 23.753 0.812 0.359 155 HD3 ARG 36 HD3 ARG 36 23.214 2.261 1.220 156 HE ARG 36 HE ARG 36 25.122 2.255 2.461 157 HH11 ARG 36 HH11 ARG 36 24.947 -0.962 1.039 158 HH12 ARG 36 HH12 ARG 36 26.367 -1.495 1.929 159 HH21 ARG 36 HH21 ARG 36 26.805 1.430 3.624 160 HH22 ARG 36 HH22 ARG 36 27.214 -0.265 3.490 161 H CYS 37 H CYS 37 18.727 -0.222 0.138 162 HA CYS 37 HA CYS 37 16.735 1.794 0.920 163 HB2 CYS 37 2HB CYS 37 17.387 0.378 -1.637 164 HB3 CYS 37 3HB CYS 37 15.849 1.236 -1.458 165 H SER 38 H SER 38 16.806 -0.865 2.385 166 HA SER 38 HA SER 38 14.477 -2.397 1.924 167 HB2 SER 38 HB2 SER 38 14.664 -2.968 4.290 168 HB3 SER 38 HB3 SER 38 16.253 -3.001 3.506 169 HG SER 38 HG SER 38 15.852 -1.836 5.646 170 H THR 39 H THR 39 14.875 0.623 3.780 171 HA THR 39 HA THR 39 12.438 1.057 4.919 172 HB THR 39 HB THR 39 14.125 3.113 3.432 173 HG1 THR 39 HG1 THR 39 15.177 3.293 5.355 174 HG21 THR 39 HG21 THR 39 13.282 4.682 5.202 175 HG22 THR 39 HG22 THR 39 12.124 3.430 5.714 176 HG23 THR 39 HG23 THR 39 12.024 4.148 4.091 177 H TYR 40 H TYR 40 13.080 1.445 1.419 178 HA TYR 40 HA TYR 40 10.584 2.848 0.862 179 HB2 TYR 40 HB2 TYR 40 12.469 1.286 -0.938 180 HB3 TYR 40 HB3 TYR 40 11.122 2.268 -1.476 181 HD1 TYR 40 HD2 TYR 40 14.310 2.640 0.571 182 HD2 TYR 40 HD1 TYR 40 11.587 4.405 -2.276 183 HE1 TYR 40 HE2 TYR 40 15.892 4.501 0.215 184 HE2 TYR 40 HE1 TYR 40 13.223 6.235 -2.669 185 HH TYR 40 HH TYR 40 15.337 7.018 -2.272 186 H PHE 41 H PHE 41 11.680 -0.561 0.772 187 HA PHE 41 HA PHE 41 9.184 -1.595 -0.274 188 HB2 PHE 41 HB2 PHE 41 11.467 -3.025 1.129 189 HB3 PHE 41 HB3 PHE 41 10.166 -3.782 0.210 190 HD1 PHE 41 HD2 PHE 41 9.828 -2.915 -2.266 191 HD2 PHE 41 HD1 PHE 41 13.471 -2.413 -0.014 192 HE1 PHE 41 HE2 PHE 41 11.066 -2.433 -4.362 193 HE2 PHE 41 HE1 PHE 41 14.702 -1.920 -2.110 194 HZ PHE 41 HZ PHE 41 13.490 -1.922 -4.290 195 H LEU 42 H LEU 42 10.504 -1.150 3.011 196 HA LEU 42 HA LEU 42 8.219 -2.130 4.427 197 HB2 LEU 42 HB2 LEU 42 10.169 -1.732 5.704 198 HB3 LEU 42 HB3 LEU 42 10.480 -0.194 4.930 199 HG LEU 42 HG LEU 42 8.665 0.883 6.210 200 HD11 LEU 42 HD11 LEU 42 7.194 -1.001 6.668 201 HD12 LEU 42 HD12 LEU 42 7.730 -0.302 8.188 202 HD13 LEU 42 HD13 LEU 42 8.462 -1.818 7.611 203 HD21 LEU 42 HD21 LEU 42 10.692 -0.611 7.909 204 HD22 LEU 42 HD22 LEU 42 9.834 0.877 8.361 205 HD23 LEU 42 HD23 LEU 42 10.989 0.903 7.023 206 H ARG 43 H ARG 43 8.858 1.211 3.294 207 HA ARG 43 HA ARG 43 6.262 2.177 4.052 208 HB2 ARG 43 HB2 ARG 43 8.313 3.112 2.017 209 HB3 ARG 43 HB3 ARG 43 6.831 4.015 2.389 210 HG2 ARG 43 HG2 ARG 43 7.408 4.185 4.719 211 HG3 ARG 43 HG3 ARG 43 8.822 3.153 4.511 212 HD2 ARG 43 HD2 ARG 43 9.774 4.837 2.923 213 HD3 ARG 43 HD3 ARG 43 8.366 5.880 3.234 214 HE ARG 43 HE ARG 43 9.382 5.367 5.757 215 HH11 ARG 43 HH11 ARG 43 10.718 6.814 2.826 216 HH12 ARG 43 HH12 ARG 43 11.908 7.714 3.727 217 HH21 ARG 43 HH21 ARG 43 10.912 6.616 6.818 218 HH22 ARG 43 HH22 ARG 43 11.744 7.865 5.897 219 H TYR 44 H TYR 44 7.239 0.356 1.288 220 HA TYR 44 HA TYR 44 4.705 0.816 -0.177 221 HB2 TYR 44 HB2 TYR 44 6.687 0.444 -1.441 222 HB3 TYR 44 HB3 TYR 44 7.026 -1.082 -0.627 223 HD1 TYR 44 HD1 TYR 44 5.415 -3.040 -0.972 224 HD2 TYR 44 HD2 TYR 44 5.471 0.485 -3.462 225 HE1 TYR 44 HE1 TYR 44 4.277 -4.303 -2.789 226 HE2 TYR 44 HE2 TYR 44 4.381 -0.802 -5.303 227 HH TYR 44 HH TYR 44 3.644 -2.898 -6.012 228 H LYS 45 H LYS 45 6.061 -1.826 1.842 229 HA LYS 45 HA LYS 45 3.701 -3.457 1.904 230 HB2 LYS 45 HB2 LYS 45 6.086 -3.145 3.743 231 HB3 LYS 45 HB3 LYS 45 4.734 -4.211 4.135 232 HG2 LYS 45 HG2 LYS 45 5.020 -5.475 2.074 233 HG3 LYS 45 HG3 LYS 45 6.370 -4.450 1.571 234 HD2 LYS 45 HD2 LYS 45 6.343 -6.014 4.190 235 HD3 LYS 45 HD3 LYS 45 6.953 -6.699 2.679 236 HE2 LYS 45 HE2 LYS 45 8.757 -5.211 2.535 237 HE3 LYS 45 HE3 LYS 45 8.031 -4.044 3.649 238 HZ1 LYS 45 HZ1 LYS 45 8.856 -6.741 4.533 239 HZ2 LYS 45 HZ2 LYS 45 8.474 -5.442 5.473 240 HZ3 LYS 45 HZ3 LYS 45 9.864 -5.423 4.604 241 H ASN 46 H ASN 46 4.475 -0.491 3.723 242 HA ASN 46 HA ASN 46 2.263 -0.744 5.563 243 HB2 ASN 46 HB2 ASN 46 3.630 1.759 4.455 244 HB3 ASN 46 HB3 ASN 46 2.515 1.740 5.811 245 HD21 ASN 46 HD21 ASN 46 5.087 2.782 5.924 246 HD22 ASN 46 HD22 ASN 46 6.044 1.796 7.033 247 H CYS 47 H CYS 47 2.419 0.677 2.239 248 HA CYS 47 HA CYS 47 -0.296 1.503 2.140 249 HB2 CYS 47 2HB CYS 47 1.404 0.493 -0.177 250 HB3 CYS 47 3HB CYS 47 0.096 1.683 -0.219 251 H ARG 48 H ARG 48 1.298 -1.567 1.085 252 HA ARG 48 HA ARG 48 -1.041 -2.985 0.364 253 HB2 ARG 48 HB2 ARG 48 1.639 -3.888 1.483 254 HB3 ARG 48 HB3 ARG 48 0.436 -5.001 0.876 255 HG2 ARG 48 HG2 ARG 48 0.946 -2.801 -1.055 256 HG3 ARG 48 HG3 ARG 48 2.426 -3.640 -0.614 257 HD2 ARG 48 HD2 ARG 48 1.324 -4.654 -2.601 258 HD3 ARG 48 HD3 ARG 48 1.531 -5.752 -1.230 259 HE ARG 48 HE ARG 48 -0.750 -6.043 -1.094 260 HH11 ARG 48 HH11 ARG 48 -0.427 -3.708 -3.635 261 HH12 ARG 48 HH12 ARG 48 -2.039 -3.071 -3.358 262 HH21 ARG 48 HH21 ARG 48 -2.873 -5.270 -0.929 263 HH22 ARG 48 HH22 ARG 48 -3.360 -3.990 -2.048 264 H ARG 49 H ARG 49 0.565 -3.020 3.600 265 HA ARG 49 HA ARG 49 -1.193 -4.853 4.798 266 HB2 ARG 49 HB2 ARG 49 0.931 -4.199 5.820 267 HB3 ARG 49 HB3 ARG 49 0.338 -2.552 6.105 268 HG2 ARG 49 HG2 ARG 49 -1.385 -3.385 7.643 269 HG3 ARG 49 HG3 ARG 49 -0.959 -5.056 7.260 270 HD2 ARG 49 HD2 ARG 49 0.892 -3.053 8.616 271 HD3 ARG 49 HD3 ARG 49 -0.159 -4.171 9.485 272 HE ARG 49 HE ARG 49 2.361 -4.783 8.171 273 HH11 ARG 49 HH11 ARG 49 -0.679 -6.375 9.035 274 HH12 ARG 49 HH12 ARG 49 0.144 -7.859 9.411 275 HH21 ARG 49 HH21 ARG 49 3.290 -6.748 8.638 276 HH22 ARG 49 HH22 ARG 49 2.255 -8.127 8.939 277 H PHE 50 H PHE 50 -1.631 -1.286 4.577 278 HA PHE 50 HA PHE 50 -3.996 -1.210 6.204 279 HB2 PHE 50 HB2 PHE 50 -2.785 0.813 5.441 280 HB3 PHE 50 HB3 PHE 50 -3.266 0.513 3.793 281 HD1 PHE 50 HD1 PHE 50 -4.731 1.026 7.236 282 HD2 PHE 50 HD2 PHE 50 -5.340 1.351 2.981 283 HE1 PHE 50 HE1 PHE 50 -6.863 2.225 7.630 284 HE2 PHE 50 HE2 PHE 50 -7.476 2.542 3.377 285 HZ PHE 50 HZ PHE 50 -8.224 3.009 5.714 286 H TRP 51 H TRP 51 -3.716 -1.263 2.638 287 HA TRP 51 HA TRP 51 -6.522 -1.689 2.307 288 HB2 TRP 51 HB2 TRP 51 -4.223 -1.966 0.356 289 HB3 TRP 51 HB3 TRP 51 -5.916 -2.105 -0.079 290 HD1 TRP 51 HD1 TRP 51 -3.308 0.537 0.365 291 HE1 TRP 51 HE1 TRP 51 -4.347 2.840 -0.074 292 HE3 TRP 51 HE3 TRP 51 -8.268 -0.688 0.797 293 HZ2 TRP 51 HZ2 TRP 51 -6.938 4.064 0.110 294 HZ3 TRP 51 HZ3 TRP 51 -9.994 1.107 0.717 295 HH2 TRP 51 HH2 TRP 51 -9.341 3.471 0.369 296 H ASN 52 H ASN 52 -3.919 -4.118 2.537 297 HA ASN 52 HA ASN 52 -5.523 -6.423 2.003 298 HB2 ASN 52 HB2 ASN 52 -2.964 -5.858 3.562 299 HB3 ASN 52 HB3 ASN 52 -3.622 -7.448 3.419 300 HD21 ASN 52 HD21 ASN 52 -1.311 -7.663 2.479 301 HD22 ASN 52 HD22 ASN 52 -1.292 -7.549 0.715 302 H SER 53 H SER 53 -4.999 -4.509 5.002 303 HA SER 53 HA SER 53 -6.590 -6.250 6.679 304 HB2 SER 53 HB2 SER 53 -6.005 -3.293 7.065 305 HB3 SER 53 HB3 SER 53 -6.644 -4.421 8.267 306 HG SER 53 HG SER 53 -4.114 -4.416 6.991 307 H ILE 54 H ILE 54 -7.385 -3.334 4.703 308 HA ILE 54 HA ILE 54 -10.173 -3.245 5.372 309 HB ILE 54 HB ILE 54 -8.672 -2.393 2.865 310 HG12 ILE 54 HG12 ILE 54 -7.893 -1.160 4.817 311 HG13 ILE 54 HG13 ILE 54 -8.781 -0.131 3.740 312 HG21 ILE 54 HG21 ILE 54 -11.515 -1.770 3.697 313 HG22 ILE 54 HG22 ILE 54 -10.614 -0.908 2.426 314 HG23 ILE 54 HG23 ILE 54 -10.983 -2.624 2.231 315 HD11 ILE 54 HD11 ILE 54 -9.305 0.362 6.083 316 HD12 ILE 54 HD12 ILE 54 -10.760 -0.255 5.284 317 HD13 ILE 54 HD13 ILE 54 -9.808 -1.310 6.360 318 H VAL 55 H VAL 55 -8.428 -5.028 2.805 319 HA VAL 55 HA VAL 55 -10.628 -6.391 1.644 320 HB VAL 55 HB VAL 55 -7.709 -7.073 2.019 321 HG11 VAL 55 HG11 VAL 55 -9.677 -8.753 0.427 322 HG12 VAL 55 HG12 VAL 55 -7.911 -8.877 0.374 323 HG13 VAL 55 HG13 VAL 55 -8.764 -9.278 1.861 324 HG21 VAL 55 HG21 VAL 55 -9.240 -6.544 -0.532 325 HG22 VAL 55 HG22 VAL 55 -8.559 -5.230 0.440 326 HG23 VAL 55 HG23 VAL 55 -7.489 -6.464 -0.226 327 H MET 56 H MET 56 -8.558 -7.549 4.426 328 HA MET 56 HA MET 56 -10.242 -9.801 4.962 329 HB2 MET 56 HB2 MET 56 -8.456 -8.166 6.802 330 HB3 MET 56 HB3 MET 56 -9.308 -9.615 7.321 331 HG2 MET 56 HG2 MET 56 -7.257 -9.438 5.096 332 HG3 MET 56 HG3 MET 56 -7.005 -10.129 6.696 333 HE1 MET 56 HE1 MET 56 -9.629 -11.941 7.164 334 HE2 MET 56 HE2 MET 56 -9.015 -13.484 6.536 335 HE3 MET 56 HE3 MET 56 -7.954 -12.437 7.503 336 H GLN 57 H GLN 57 -10.609 -6.443 6.085 337 HA GLN 57 HA GLN 57 -12.848 -7.078 7.831 338 HB2 GLN 57 HB2 GLN 57 -11.676 -4.483 6.780 339 HB3 GLN 57 HB3 GLN 57 -13.078 -4.537 7.850 340 HG2 GLN 57 HG2 GLN 57 -10.336 -5.688 8.534 341 HG3 GLN 57 HG3 GLN 57 -10.968 -4.141 9.087 342 HE21 GLN 57 HE21 GLN 57 -10.544 -7.329 10.105 343 HE22 GLN 57 HE22 GLN 57 -11.800 -7.289 11.334 344 H ARG 58 H ARG 58 -12.686 -6.165 4.400 345 HA ARG 58 HA ARG 58 -15.631 -5.996 4.177 346 HB2 ARG 58 HB2 ARG 58 -13.268 -5.877 2.295 347 HB3 ARG 58 HB3 ARG 58 -14.842 -6.333 1.653 348 HG2 ARG 58 HG2 ARG 58 -14.396 -3.964 1.390 349 HG3 ARG 58 HG3 ARG 58 -15.874 -4.322 2.280 350 HD2 ARG 58 HD2 ARG 58 -14.608 -3.822 4.423 351 HD3 ARG 58 HD3 ARG 58 -13.274 -3.243 3.407 352 HE ARG 58 HE ARG 58 -15.684 -1.996 2.534 353 HH11 ARG 58 HH11 ARG 58 -13.727 -1.852 5.536 354 HH12 ARG 58 HH12 ARG 58 -14.320 -0.260 5.869 355 HH21 ARG 58 HH21 ARG 58 -16.401 -0.037 3.167 356 HH22 ARG 58 HH22 ARG 58 -15.863 0.660 4.696 357 H ARG 59 H ARG 59 -13.190 -8.424 3.749 358 HA ARG 59 HA ARG 59 -14.810 -10.526 2.657 359 HB2 ARG 59 HB2 ARG 59 -12.403 -10.517 2.514 360 HB3 ARG 59 HB3 ARG 59 -12.239 -10.559 4.266 361 HG2 ARG 59 HG2 ARG 59 -12.996 -12.785 4.413 362 HG3 ARG 59 HG3 ARG 59 -13.542 -12.830 2.727 363 HD2 ARG 59 HD2 ARG 59 -11.361 -12.890 1.872 364 HD3 ARG 59 HD3 ARG 59 -10.643 -12.223 3.351 365 HE ARG 59 HE ARG 59 -11.724 -14.638 4.175 366 HH11 ARG 59 HH11 ARG 59 -9.283 -13.755 1.765 367 HH12 ARG 59 HH12 ARG 59 -8.403 -15.245 2.011 368 HH21 ARG 59 HH21 ARG 59 -10.397 -16.439 4.538 369 HH22 ARG 59 HH22 ARG 59 -8.890 -16.537 3.692 370 H LYS 60 H LYS 60 -14.838 -9.326 5.910 371 HA LYS 60 HA LYS 60 -15.957 -11.476 7.296 372 HB2 LYS 60 HB2 LYS 60 -16.780 -9.947 8.843 373 HB3 LYS 60 HB3 LYS 60 -15.379 -9.146 8.134 374 HG2 LYS 60 HG2 LYS 60 -16.963 -7.840 6.664 375 HG3 LYS 60 HG3 LYS 60 -18.310 -8.570 7.544 376 HD2 LYS 60 HD2 LYS 60 -17.495 -7.599 9.669 377 HD3 LYS 60 HD3 LYS 60 -16.083 -6.943 8.839 378 HE2 LYS 60 HE2 LYS 60 -17.383 -5.070 8.822 379 HE3 LYS 60 HE3 LYS 60 -17.867 -5.770 7.279 380 HZ1 LYS 60 HZ1 LYS 60 -19.812 -6.742 8.478 381 HZ2 LYS 60 HZ2 LYS 60 -19.793 -5.098 8.535 382 HZ3 LYS 60 HZ3 LYS 60 -19.324 -5.970 9.855 383 H ASN 61 H ASN 61 -17.597 -9.527 4.842 384 HA ASN 61 HA ASN 61 -20.224 -10.614 5.388 385 HB2 ASN 61 HB2 ASN 61 -19.260 -9.184 2.890 386 HB3 ASN 61 HB3 ASN 61 -20.918 -9.379 3.450 387 HD21 ASN 61 HD21 ASN 61 -17.861 -7.707 4.074 388 HD22 ASN 61 HD22 ASN 61 -18.631 -6.372 4.914 389 H GLY 62 H GLY 62 -17.503 -11.703 3.487 390 HA2 GLY 62 HA2 GLY 62 -17.104 -13.624 2.312 391 HA3 GLY 62 HA3 GLY 62 -18.623 -14.244 2.957 392 H VAL 63 H VAL 63 -19.012 -11.431 1.039 393 HA VAL 63 HA VAL 63 -20.117 -13.026 -1.228 394 HB VAL 63 HB VAL 63 -21.576 -12.905 0.786 395 HG11 VAL 63 HG11 VAL 63 -22.620 -10.857 1.488 396 HG12 VAL 63 HG12 VAL 63 -20.871 -10.602 1.528 397 HG13 VAL 63 HG13 VAL 63 -21.830 -9.934 0.197 398 HG21 VAL 63 HG21 VAL 63 -22.784 -11.383 -1.525 399 HG22 VAL 63 HG22 VAL 63 -22.516 -13.145 -1.484 400 HG23 VAL 63 HG23 VAL 63 -23.607 -12.382 -0.310 401 H LYS 64 H LYS 64 -18.686 -10.024 -0.331 402 HA LYS 64 HA LYS 64 -19.530 -8.621 -2.832 403 HB2 LYS 64 HB2 LYS 64 -18.750 -6.575 -1.647 404 HB3 LYS 64 HB3 LYS 64 -20.070 -7.383 -0.817 405 HG2 LYS 64 HG2 LYS 64 -18.748 -8.032 0.973 406 HG3 LYS 64 HG3 LYS 64 -17.259 -8.047 0.036 407 HD2 LYS 64 HD2 LYS 64 -17.315 -6.248 1.708 408 HD3 LYS 64 HD3 LYS 64 -17.070 -5.674 0.056 409 HE2 LYS 64 HE2 LYS 64 -19.417 -4.943 -0.081 410 HE3 LYS 64 HE3 LYS 64 -19.783 -5.702 1.468 411 HZ1 LYS 64 HZ1 LYS 64 -19.491 -3.325 1.730 412 HZ2 LYS 64 HZ2 LYS 64 -17.967 -3.347 1.140 413 HZ3 LYS 64 HZ3 LYS 64 -18.336 -4.086 2.560 414 HA PRO 65 HA PRO 65 -15.118 -8.438 -4.081 415 HB2 PRO 65 HB2 PRO 65 -14.810 -5.820 -4.818 416 HB3 PRO 65 HB3 PRO 65 -15.632 -7.045 -5.842 417 HG2 PRO 65 HG2 PRO 65 -16.936 -5.079 -3.930 418 HG3 PRO 65 HG3 PRO 65 -17.320 -5.361 -5.653 419 HD2 PRO 65 HD2 PRO 65 -18.764 -6.587 -3.759 420 HD3 PRO 65 HD3 PRO 65 -18.251 -7.503 -5.196 421 H PHE 66 H PHE 66 -13.641 -8.480 -2.569 422 HA PHE 66 HA PHE 66 -13.863 -7.045 -0.043 423 HB2 PHE 66 HB2 PHE 66 -11.661 -8.875 -1.030 424 HB3 PHE 66 HB3 PHE 66 -11.987 -8.405 0.622 425 HD1 PHE 66 HD1 PHE 66 -15.159 -8.898 0.248 426 HD2 PHE 66 HD2 PHE 66 -11.609 -11.183 -0.529 427 HE1 PHE 66 HE1 PHE 66 -16.474 -10.991 0.450 428 HE2 PHE 66 HE2 PHE 66 -12.922 -13.299 -0.276 429 HZ PHE 66 HZ PHE 66 -15.353 -13.198 0.207 430 H MET 67 H MET 67 -11.534 -7.219 -2.708 431 HA MET 67 HA MET 67 -10.013 -4.866 -2.046 432 HB2 MET 67 HB2 MET 67 -10.547 -6.411 -4.583 433 HB3 MET 67 HB3 MET 67 -9.787 -4.823 -4.674 434 HG2 MET 67 HG2 MET 67 -8.736 -7.097 -2.958 435 HG3 MET 67 HG3 MET 67 -8.153 -6.705 -4.576 436 HE1 MET 67 HE1 MET 67 -5.321 -5.619 -1.917 437 HE2 MET 67 HE2 MET 67 -6.383 -7.046 -2.017 438 HE3 MET 67 HE3 MET 67 -5.513 -6.495 -3.453 439 HA PRO 68 HA PRO 68 -13.752 -2.572 -2.115 440 HB2 PRO 68 HB2 PRO 68 -12.865 -0.065 -1.352 441 HB3 PRO 68 HB3 PRO 68 -13.000 -1.478 -0.260 442 HG2 PRO 68 HG2 PRO 68 -10.537 -0.493 -1.742 443 HG3 PRO 68 HG3 PRO 68 -10.696 -0.941 -0.009 444 HD2 PRO 68 HD2 PRO 68 -9.713 -2.695 -1.815 445 HD3 PRO 68 HD3 PRO 68 -10.811 -3.230 -0.514 446 H THR 69 H THR 69 -15.053 -1.259 -3.322 447 HA THR 69 HA THR 69 -14.209 -0.356 -5.955 448 HB THR 69 HB THR 69 -16.636 0.266 -6.122 449 HG1 THR 69 HG1 THR 69 -17.949 -0.227 -4.360 450 HG21 THR 69 HG21 THR 69 -17.576 -1.957 -6.057 451 HG22 THR 69 HG22 THR 69 -16.321 -2.530 -4.936 452 HG23 THR 69 HG23 THR 69 -15.900 -2.097 -6.606 453 H ALA 70 H ALA 70 -15.093 1.843 -6.664 454 HA ALA 70 HA ALA 70 -13.514 3.829 -5.567 455 HB1 ALA 70 HB1 ALA 70 -14.904 5.424 -6.878 456 HB2 ALA 70 HB2 ALA 70 -14.469 3.969 -7.787 457 HB3 ALA 70 HB3 ALA 70 -16.113 4.146 -7.127 458 H ALA 71 H ALA 71 -17.072 3.557 -4.884 459 HA ALA 71 HA ALA 71 -17.144 5.678 -3.005 460 HB1 ALA 71 HB1 ALA 71 -18.932 3.225 -3.299 461 HB2 ALA 71 HB2 ALA 71 -19.333 4.694 -2.384 462 HB3 ALA 71 HB3 ALA 71 -19.121 4.782 -4.142 463 H GLU 72 H GLU 72 -16.283 2.258 -2.511 464 HA GLU 72 HA GLU 72 -16.381 2.282 0.387 465 HB2 GLU 72 HB2 GLU 72 -15.270 0.416 -1.716 466 HB3 GLU 72 HB3 GLU 72 -14.946 0.164 -0.014 467 HG2 GLU 72 HG2 GLU 72 -17.828 0.558 -0.715 468 HG3 GLU 72 HG3 GLU 72 -17.065 -0.889 -1.355 469 H ARG 73 H ARG 73 -13.711 2.351 -2.061 470 HA ARG 73 HA ARG 73 -11.532 2.851 -0.313 471 HB2 ARG 73 HB2 ARG 73 -12.081 3.988 -3.094 472 HB3 ARG 73 HB3 ARG 73 -10.530 4.084 -2.253 473 HG2 ARG 73 HG2 ARG 73 -10.195 1.707 -2.393 474 HG3 ARG 73 HG3 ARG 73 -11.839 1.444 -2.978 475 HD2 ARG 73 HD2 ARG 73 -10.446 1.306 -4.891 476 HD3 ARG 73 HD3 ARG 73 -11.273 2.854 -5.021 477 HE ARG 73 HE ARG 73 -8.413 2.328 -4.543 478 HH11 ARG 73 HH11 ARG 73 -10.803 4.978 -4.776 479 HH12 ARG 73 HH12 ARG 73 -9.514 6.142 -4.625 480 HH21 ARG 73 HH21 ARG 73 -6.941 3.983 -4.501 481 HH22 ARG 73 HH22 ARG 73 -7.525 5.640 -4.441 482 H ASP 74 H ASP 74 -13.792 5.179 -1.747 483 HA ASP 74 HA ASP 74 -12.584 7.533 -0.661 484 HB2 ASP 74 HB2 ASP 74 -14.119 7.469 -2.564 485 HB3 ASP 74 HB3 ASP 74 -15.433 6.920 -1.543 486 H GLU 75 H GLU 75 -15.467 5.651 0.613 487 HA GLU 75 HA GLU 75 -15.649 7.354 2.929 488 HB2 GLU 75 HB2 GLU 75 -17.267 5.920 3.782 489 HB3 GLU 75 HB3 GLU 75 -17.534 6.014 2.051 490 HG2 GLU 75 HG2 GLU 75 -16.568 3.798 1.757 491 HG3 GLU 75 HG3 GLU 75 -16.144 3.681 3.455 492 H ILE 76 H ILE 76 -13.687 4.528 2.276 493 HA ILE 76 HA ILE 76 -12.790 4.054 4.987 494 HB ILE 76 HB ILE 76 -11.838 3.288 2.219 495 HG12 ILE 76 HG12 ILE 76 -12.671 1.404 4.438 496 HG13 ILE 76 HG13 ILE 76 -13.923 2.271 3.572 497 HG21 ILE 76 HG21 ILE 76 -10.523 2.537 4.856 498 HG22 ILE 76 HG22 ILE 76 -10.222 1.724 3.305 499 HG23 ILE 76 HG23 ILE 76 -9.787 3.424 3.497 500 HD11 ILE 76 HD11 ILE 76 -12.901 -0.146 2.791 501 HD12 ILE 76 HD12 ILE 76 -13.771 0.957 1.745 502 HD13 ILE 76 HD13 ILE 76 -12.001 0.963 1.737 503 H LEU 77 H LEU 77 -11.245 5.843 2.233 504 HA LEU 77 HA LEU 77 -9.015 6.799 3.785 505 HB2 LEU 77 HB2 LEU 77 -10.344 7.635 1.205 506 HB3 LEU 77 HB3 LEU 77 -9.021 8.566 1.876 507 HG LEU 77 HG LEU 77 -8.787 5.582 1.299 508 HD11 LEU 77 HD11 LEU 77 -8.018 7.979 -0.403 509 HD12 LEU 77 HD12 LEU 77 -9.330 6.829 -0.727 510 HD13 LEU 77 HD13 LEU 77 -7.642 6.278 -0.782 511 HD21 LEU 77 HD21 LEU 77 -7.064 6.421 2.870 512 HD22 LEU 77 HD22 LEU 77 -6.667 7.734 1.748 513 HD23 LEU 77 HD23 LEU 77 -6.325 6.047 1.304 514 H ARG 78 H ARG 78 -12.227 8.134 3.170 515 HA ARG 78 HA ARG 78 -11.945 10.621 4.620 516 HB2 ARG 78 HB2 ARG 78 -14.316 8.863 3.912 517 HB3 ARG 78 HB3 ARG 78 -14.509 10.337 4.857 518 HG2 ARG 78 HG2 ARG 78 -13.837 11.753 3.100 519 HG3 ARG 78 HG3 ARG 78 -13.071 10.442 2.197 520 HD2 ARG 78 HD2 ARG 78 -15.197 11.223 1.180 521 HD3 ARG 78 HD3 ARG 78 -15.128 9.500 1.538 522 HE ARG 78 HE ARG 78 -16.419 11.136 3.623 523 HH11 ARG 78 HH11 ARG 78 -17.041 9.257 0.714 524 HH12 ARG 78 HH12 ARG 78 -18.668 8.864 1.259 525 HH21 ARG 78 HH21 ARG 78 -18.423 10.709 4.144 526 HH22 ARG 78 HH22 ARG 78 -19.476 9.746 3.112 527 H ALA 79 H ALA 79 -12.899 7.327 5.648 528 HA ALA 79 HA ALA 79 -13.292 8.061 8.394 529 HB1 ALA 79 HB1 ALA 79 -12.699 5.359 7.136 530 HB2 ALA 79 HB2 ALA 79 -13.240 5.630 8.806 531 HB3 ALA 79 HB3 ALA 79 -14.287 6.083 7.455 532 H VAL 80 H VAL 80 -10.284 7.135 6.652 533 HA VAL 80 HA VAL 80 -8.674 7.121 9.075 534 HB VAL 80 HB VAL 80 -7.749 7.797 6.257 535 HG11 VAL 80 HG11 VAL 80 -5.567 7.004 7.094 536 HG12 VAL 80 HG12 VAL 80 -6.146 8.354 8.074 537 HG13 VAL 80 HG13 VAL 80 -6.284 6.698 8.693 538 HG21 VAL 80 HG21 VAL 80 -7.014 5.478 6.039 539 HG22 VAL 80 HG22 VAL 80 -7.733 5.066 7.610 540 HG23 VAL 80 HG23 VAL 80 -8.750 5.528 6.232 541 H GLY 81 H GLY 81 -9.423 9.632 6.603 542 HA2 GLY 81 HA2 GLY 81 -9.471 11.947 6.789 543 HA3 GLY 81 HA3 GLY 81 -9.111 11.820 8.515 544 H ASN 82 H ASN 82 -7.003 9.997 6.623 545 HA ASN 82 HA ASN 82 -5.026 12.016 5.986 546 HB2 ASN 82 HB2 ASN 82 -4.678 11.558 8.482 547 HB3 ASN 82 HB3 ASN 82 -4.389 9.868 8.084 548 HD21 ASN 82 HD21 ASN 82 -2.224 9.816 8.863 549 HD22 ASN 82 HD22 ASN 82 -0.977 10.830 8.152 550 H MET 83 H MET 83 -3.006 10.845 5.066 551 HA MET 83 HA MET 83 -3.596 8.587 3.350 552 HB2 MET 83 HB2 MET 83 -1.779 10.434 3.086 553 HB3 MET 83 HB3 MET 83 -0.890 9.548 4.316 554 HG2 MET 83 HG2 MET 83 0.026 8.645 2.440 555 HG3 MET 83 HG3 MET 83 -1.270 7.486 2.659 556 HE1 MET 83 HE1 MET 83 -3.598 8.132 -0.332 557 HE2 MET 83 HE2 MET 83 -3.164 7.145 1.081 558 HE3 MET 83 HE3 MET 83 -3.944 8.738 1.299 559 HA PRO 84 HA PRO 84 -3.148 5.802 6.885 560 HB2 PRO 84 HB2 PRO 84 -3.600 3.406 5.659 561 HB3 PRO 84 HB3 PRO 84 -4.886 4.582 6.042 562 HG2 PRO 84 HG2 PRO 84 -3.588 4.012 3.380 563 HG3 PRO 84 HG3 PRO 84 -5.280 4.455 3.739 564 HD2 PRO 84 HD2 PRO 84 -3.300 6.224 2.874 565 HD3 PRO 84 HD3 PRO 84 -4.810 6.712 3.697 566 H TYR 85 H TYR 85 -0.995 6.263 4.444 567 HA TYR 85 HA TYR 85 1.102 4.661 5.818 568 HB2 TYR 85 HB2 TYR 85 2.049 4.134 3.514 569 HB3 TYR 85 HB3 TYR 85 0.623 3.255 4.021 570 HD1 TYR 85 HD1 TYR 85 1.835 5.968 1.777 571 HD2 TYR 85 HD2 TYR 85 -1.474 3.455 2.899 572 HE1 TYR 85 HE1 TYR 85 0.648 6.604 -0.307 573 HE2 TYR 85 HE2 TYR 85 -2.725 4.180 0.858 574 HH TYR 85 HH TYR 85 -1.286 6.468 -1.491 Start of MODEL 13 1 H ASN 14 H1 ASN 14 -3.556 -1.466 -3.247 2 HA ASN 14 HA ASN 14 -2.752 -3.168 -4.802 3 HB2 ASN 14 HB2 ASN 14 -1.992 -0.266 -5.313 4 HB3 ASN 14 HB3 ASN 14 -1.927 -1.517 -6.538 5 HD21 ASN 14 HD21 ASN 14 -3.625 0.454 -7.227 6 HD22 ASN 14 HD22 ASN 14 -5.289 0.016 -6.903 7 HA PRO 15 HA PRO 15 1.814 -3.882 -4.963 8 HB2 PRO 15 HB2 PRO 15 2.179 -3.994 -7.685 9 HB3 PRO 15 HB3 PRO 15 1.574 -5.373 -6.711 10 HG2 PRO 15 HG2 PRO 15 -0.070 -3.379 -8.294 11 HG3 PRO 15 HG3 PRO 15 -0.171 -5.167 -8.304 12 HD2 PRO 15 HD2 PRO 15 -1.850 -3.715 -6.779 13 HD3 PRO 15 HD3 PRO 15 -1.135 -5.220 -6.138 14 H CYS 16 H CYS 16 3.089 -2.170 -4.619 15 HA CYS 16 HA CYS 16 1.830 0.388 -5.207 16 HB2 CYS 16 2HB CYS 16 2.780 -0.812 -2.945 17 HB3 CYS 16 3HB CYS 16 4.104 0.276 -3.314 18 H LEU 17 H LEU 17 2.669 0.093 -7.514 19 HA LEU 17 HA LEU 17 5.295 0.319 -8.383 20 HB2 LEU 17 HB2 LEU 17 2.699 1.444 -9.499 21 HB3 LEU 17 HB3 LEU 17 4.215 1.662 -10.334 22 HG LEU 17 HG LEU 17 2.957 -0.120 -11.320 23 HD11 LEU 17 HD11 LEU 17 5.424 -0.256 -11.375 24 HD12 LEU 17 HD12 LEU 17 4.649 -1.841 -11.437 25 HD13 LEU 17 HD13 LEU 17 5.395 -1.290 -9.925 26 HD21 LEU 17 HD21 LEU 17 1.749 -0.941 -9.331 27 HD22 LEU 17 HD22 LEU 17 3.250 -1.719 -8.753 28 HD23 LEU 17 HD23 LEU 17 2.494 -2.232 -10.273 29 H SER 18 H SER 18 3.343 2.887 -7.041 30 HA SER 18 HA SER 18 4.845 5.209 -7.752 31 HB2 SER 18 HB2 SER 18 3.226 4.594 -5.263 32 HB3 SER 18 HB3 SER 18 3.589 6.228 -5.884 33 HG SER 18 HG SER 18 2.415 5.671 -7.783 34 H GLU 19 H GLU 19 5.167 2.938 -5.029 35 HA GLU 19 HA GLU 19 7.410 4.477 -3.808 36 HB2 GLU 19 HB2 GLU 19 6.086 1.863 -2.988 37 HB3 GLU 19 HB3 GLU 19 7.374 2.675 -2.106 38 HG2 GLU 19 HG2 GLU 19 4.601 3.858 -2.573 39 HG3 GLU 19 HG3 GLU 19 5.085 2.958 -1.145 40 H SER 20 H SER 20 6.695 1.569 -5.745 41 HA SER 20 HA SER 20 9.356 0.432 -5.569 42 HB2 SER 20 HB2 SER 20 7.300 0.118 -7.776 43 HB3 SER 20 HB3 SER 20 8.749 -0.878 -7.570 44 HG SER 20 HG SER 20 7.953 -1.718 -5.711 45 H ASP 21 H ASP 21 7.978 2.885 -7.750 46 HA ASP 21 HA ASP 21 10.308 3.175 -9.413 47 HB2 ASP 21 HB2 ASP 21 8.006 4.090 -9.916 48 HB3 ASP 21 HB3 ASP 21 8.250 5.292 -8.653 49 H ALA 22 H ALA 22 9.303 4.883 -6.377 50 HA ALA 22 HA ALA 22 11.616 6.573 -6.290 51 HB1 ALA 22 HB1 ALA 22 9.499 7.092 -5.196 52 HB2 ALA 22 HB2 ALA 22 9.686 5.699 -4.116 53 HB3 ALA 22 HB3 ALA 22 10.826 7.073 -4.027 54 H SER 23 H SER 23 10.983 3.374 -4.847 55 HA SER 23 HA SER 23 13.488 2.793 -3.671 56 HB2 SER 23 HB2 SER 23 11.326 1.415 -3.741 57 HB3 SER 23 HB3 SER 23 11.832 0.853 -5.325 58 HG SER 23 HG SER 23 12.437 -0.580 -3.759 59 H THR 24 H THR 24 12.485 2.235 -7.110 60 HA THR 24 HA THR 24 15.005 1.322 -8.082 61 HB THR 24 HB THR 24 12.901 2.890 -9.633 62 HG1 THR 24 HG1 THR 24 11.955 1.107 -8.710 63 HG21 THR 24 HG21 THR 24 13.708 1.648 -11.575 64 HG22 THR 24 HG22 THR 24 14.938 0.836 -10.580 65 HG23 THR 24 HG23 THR 24 15.036 2.585 -10.885 66 H ARG 25 H ARG 25 13.693 4.641 -7.931 67 HA ARG 25 HA ARG 25 15.990 6.045 -8.966 68 HB2 ARG 25 HB2 ARG 25 13.525 6.731 -7.370 69 HB3 ARG 25 HB3 ARG 25 14.842 7.873 -7.373 70 HG2 ARG 25 HG2 ARG 25 13.159 8.465 -8.968 71 HG3 ARG 25 HG3 ARG 25 14.717 8.225 -9.736 72 HD2 ARG 25 HD2 ARG 25 12.636 6.025 -9.782 73 HD3 ARG 25 HD3 ARG 25 12.506 7.405 -10.863 74 HE ARG 25 HE ARG 25 15.091 6.639 -11.274 75 HH11 ARG 25 HH11 ARG 25 11.998 4.925 -11.767 76 HH12 ARG 25 HH12 ARG 25 12.768 3.963 -13.019 77 HH21 ARG 25 HH21 ARG 25 15.807 5.463 -12.849 78 HH22 ARG 25 HH22 ARG 25 14.794 4.244 -13.626 79 H CYS 26 H CYS 26 15.226 4.962 -5.626 80 HA CYS 26 HA CYS 26 17.512 6.236 -4.401 81 HB2 CYS 26 2HB CYS 26 15.751 5.453 -2.970 82 HB3 CYS 26 3HB CYS 26 15.862 3.810 -3.604 83 H LEU 27 H LEU 27 17.037 2.969 -5.764 84 HA LEU 27 HA LEU 27 19.696 2.028 -5.174 85 HB2 LEU 27 HB2 LEU 27 17.280 1.176 -6.776 86 HB3 LEU 27 HB3 LEU 27 18.803 0.344 -7.065 87 HG LEU 27 HG LEU 27 19.018 -0.406 -4.952 88 HD11 LEU 27 HD11 LEU 27 18.539 1.381 -3.432 89 HD12 LEU 27 HD12 LEU 27 17.648 -0.057 -2.981 90 HD13 LEU 27 HD13 LEU 27 16.795 1.269 -3.802 91 HD21 LEU 27 HD21 LEU 27 15.981 -0.492 -5.303 92 HD22 LEU 27 HD22 LEU 27 17.000 -1.761 -4.589 93 HD23 LEU 27 HD23 LEU 27 17.082 -1.408 -6.332 94 H ASP 28 H ASP 28 18.334 3.510 -7.968 95 HA ASP 28 HA ASP 28 20.732 3.683 -9.590 96 HB2 ASP 28 HB2 ASP 28 18.509 4.073 -10.534 97 HB3 ASP 28 HB3 ASP 28 18.283 5.481 -9.492 98 H GLU 29 H GLU 29 19.420 5.907 -7.047 99 HA GLU 29 HA GLU 29 21.497 7.853 -7.189 100 HB2 GLU 29 HB2 GLU 29 19.308 7.135 -5.371 101 HB3 GLU 29 HB3 GLU 29 20.683 7.697 -4.475 102 HG2 GLU 29 HG2 GLU 29 19.506 9.197 -6.867 103 HG3 GLU 29 HG3 GLU 29 18.883 9.388 -5.233 104 H ASN 30 H ASN 30 21.306 5.052 -4.928 105 HA ASN 30 HA ASN 30 24.193 5.476 -4.284 106 HB2 ASN 30 HB2 ASN 30 23.459 4.647 -2.008 107 HB3 ASN 30 HB3 ASN 30 22.941 6.262 -2.479 108 HD21 ASN 30 HD21 ASN 30 21.679 2.959 -2.948 109 HD22 ASN 30 HD22 ASN 30 19.994 3.427 -2.695 110 H ASN 31 H ASN 31 24.508 3.928 -6.163 111 HA ASN 31 HA ASN 31 25.144 1.841 -6.878 112 HB2 ASN 31 HB2 ASN 31 26.447 2.308 -4.183 113 HB3 ASN 31 HB3 ASN 31 26.959 1.022 -5.274 114 HD21 ASN 31 HD21 ASN 31 27.416 4.363 -4.581 115 HD22 ASN 31 HD22 ASN 31 28.240 4.727 -6.097 116 H TYR 32 H TYR 32 22.574 1.406 -6.146 117 HA TYR 32 HA TYR 32 21.056 -0.089 -5.626 118 HB2 TYR 32 HB2 TYR 32 22.777 -1.247 -7.325 119 HB3 TYR 32 HB3 TYR 32 22.791 -2.455 -6.064 120 HD1 TYR 32 HD1 TYR 32 20.214 -3.004 -5.136 121 HD2 TYR 32 HD2 TYR 32 21.216 -1.427 -9.030 122 HE1 TYR 32 HE1 TYR 32 18.095 -3.861 -6.021 123 HE2 TYR 32 HE2 TYR 32 19.085 -2.340 -9.928 124 HH TYR 32 HH TYR 32 16.768 -4.149 -7.868 125 H ASP 33 H ASP 33 22.086 0.889 -3.278 126 HA ASP 33 HA ASP 33 22.392 -1.238 -1.366 127 HB2 ASP 33 HB2 ASP 33 23.318 1.154 -1.278 128 HB3 ASP 33 HB3 ASP 33 21.756 1.610 -0.609 129 H ARG 34 H ARG 34 20.466 -2.192 -2.390 130 HA ARG 34 HA ARG 34 17.749 -1.817 -1.714 131 HB2 ARG 34 HB2 ARG 34 17.594 -4.310 -1.805 132 HB3 ARG 34 HB3 ARG 34 18.364 -3.582 -3.204 133 HG2 ARG 34 HG2 ARG 34 20.450 -4.443 -2.733 134 HG3 ARG 34 HG3 ARG 34 20.192 -4.511 -0.989 135 HD2 ARG 34 HD2 ARG 34 18.831 -6.365 -2.970 136 HD3 ARG 34 HD3 ARG 34 20.341 -6.734 -2.122 137 HE ARG 34 HE ARG 34 19.071 -6.433 0.044 138 HH11 ARG 34 HH11 ARG 34 17.252 -7.633 -2.764 139 HH12 ARG 34 HH12 ARG 34 15.880 -7.968 -1.751 140 HH21 ARG 34 HH21 ARG 34 17.477 -7.080 1.169 141 HH22 ARG 34 HH22 ARG 34 16.076 -7.888 0.457 142 H GLU 35 H GLU 35 20.248 -2.511 0.554 143 HA GLU 35 HA GLU 35 18.373 -3.531 2.616 144 HB2 GLU 35 HB2 GLU 35 21.351 -2.942 2.691 145 HB3 GLU 35 HB3 GLU 35 20.420 -3.570 4.054 146 HG2 GLU 35 HG2 GLU 35 20.791 -4.972 1.370 147 HG3 GLU 35 HG3 GLU 35 21.649 -5.343 2.867 148 H ARG 36 H ARG 36 20.271 -0.531 1.992 149 HA ARG 36 HA ARG 36 19.166 0.873 4.301 150 HB2 ARG 36 HB2 ARG 36 20.408 1.901 1.716 151 HB3 ARG 36 HB3 ARG 36 19.938 2.928 3.068 152 HG2 ARG 36 HG2 ARG 36 21.950 0.674 3.314 153 HG3 ARG 36 HG3 ARG 36 22.382 2.339 2.941 154 HD2 ARG 36 HD2 ARG 36 20.876 1.583 5.469 155 HD3 ARG 36 HD3 ARG 36 22.629 1.577 5.366 156 HE ARG 36 HE ARG 36 20.854 3.950 5.316 157 HH11 ARG 36 HH11 ARG 36 24.167 2.893 4.756 158 HH12 ARG 36 HH12 ARG 36 24.799 4.485 5.117 159 HH21 ARG 36 HH21 ARG 36 21.711 5.892 5.724 160 HH22 ARG 36 HH22 ARG 36 23.448 6.112 5.731 161 H CYS 37 H CYS 37 18.242 0.724 0.852 162 HA CYS 37 HA CYS 37 15.741 2.165 1.484 163 HB2 CYS 37 2HB CYS 37 17.185 1.487 -1.028 164 HB3 CYS 37 3HB CYS 37 15.443 1.793 -1.112 165 H SER 38 H SER 38 16.181 -0.523 2.629 166 HA SER 38 HA SER 38 14.030 -2.221 1.699 167 HB2 SER 38 HB2 SER 38 14.222 -3.220 3.958 168 HB3 SER 38 HB3 SER 38 15.790 -3.076 3.145 169 HG SER 38 HG SER 38 16.441 -1.701 4.556 170 H THR 39 H THR 39 14.033 0.851 3.217 171 HA THR 39 HA THR 39 11.596 0.990 4.640 172 HB THR 39 HB THR 39 11.630 3.398 3.844 173 HG1 THR 39 HG1 THR 39 13.383 4.020 2.652 174 HG21 THR 39 HG21 THR 39 14.300 2.329 4.841 175 HG22 THR 39 HG22 THR 39 12.883 2.660 5.871 176 HG23 THR 39 HG23 THR 39 13.694 3.985 5.016 177 H TYR 40 H TYR 40 12.217 1.432 1.187 178 HA TYR 40 HA TYR 40 9.487 1.828 0.432 179 HB2 TYR 40 HB2 TYR 40 11.841 0.829 -1.211 180 HB3 TYR 40 HB3 TYR 40 10.286 1.356 -1.852 181 HD1 TYR 40 HD2 TYR 40 13.306 2.525 0.025 182 HD2 TYR 40 HD1 TYR 40 9.716 3.680 -2.056 183 HE1 TYR 40 HE2 TYR 40 14.073 4.891 0.012 184 HE2 TYR 40 HE1 TYR 40 10.467 6.045 -2.023 185 HH TYR 40 HH TYR 40 13.479 7.048 -0.401 186 H PHE 41 H PHE 41 11.423 -1.191 0.548 187 HA PHE 41 HA PHE 41 9.369 -2.932 -0.445 188 HB2 PHE 41 HB2 PHE 41 11.658 -3.656 -0.352 189 HB3 PHE 41 HB3 PHE 41 11.763 -3.341 1.372 190 HD1 PHE 41 HD1 PHE 41 9.323 -5.301 -0.769 191 HD2 PHE 41 HD2 PHE 41 12.089 -5.323 2.545 192 HE1 PHE 41 HE1 PHE 41 8.737 -7.666 -0.288 193 HE2 PHE 41 HE2 PHE 41 11.501 -7.685 3.014 194 HZ PHE 41 HZ PHE 41 9.823 -8.861 1.602 195 H LEU 42 H LEU 42 10.053 -1.732 2.888 196 HA LEU 42 HA LEU 42 7.837 -3.141 4.077 197 HB2 LEU 42 HB2 LEU 42 9.549 -2.337 5.530 198 HB3 LEU 42 HB3 LEU 42 9.493 -0.719 4.855 199 HG LEU 42 HG LEU 42 7.301 -0.307 5.908 200 HD11 LEU 42 HD11 LEU 42 6.398 -2.600 6.057 201 HD12 LEU 42 HD12 LEU 42 6.463 -1.847 7.649 202 HD13 LEU 42 HD13 LEU 42 7.694 -3.045 7.187 203 HD21 LEU 42 HD21 LEU 42 9.373 0.306 7.069 204 HD22 LEU 42 HD22 LEU 42 9.441 -1.300 7.827 205 HD23 LEU 42 HD23 LEU 42 8.118 -0.177 8.217 206 H ARG 43 H ARG 43 7.994 0.212 2.809 207 HA ARG 43 HA ARG 43 5.198 0.691 3.346 208 HB2 ARG 43 HB2 ARG 43 7.150 2.095 1.493 209 HB3 ARG 43 HB3 ARG 43 5.517 2.679 1.898 210 HG2 ARG 43 HG2 ARG 43 6.069 2.697 4.286 211 HG3 ARG 43 HG3 ARG 43 7.668 2.062 3.969 212 HD2 ARG 43 HD2 ARG 43 8.309 4.071 2.767 213 HD3 ARG 43 HD3 ARG 43 6.671 4.725 2.891 214 HE ARG 43 HE ARG 43 8.692 4.512 5.071 215 HH11 ARG 43 HH11 ARG 43 5.240 5.193 4.456 216 HH12 ARG 43 HH12 ARG 43 5.196 6.172 5.922 217 HH21 ARG 43 HH21 ARG 43 8.386 5.640 6.869 218 HH22 ARG 43 HH22 ARG 43 6.774 6.266 7.263 219 H TYR 44 H TYR 44 6.726 -0.988 0.764 220 HA TYR 44 HA TYR 44 4.348 -1.043 -0.968 221 HB2 TYR 44 HB2 TYR 44 6.549 -1.333 -1.920 222 HB3 TYR 44 HB3 TYR 44 6.861 -2.753 -0.920 223 HD1 TYR 44 HD2 TYR 44 5.149 -4.777 -1.266 224 HD2 TYR 44 HD1 TYR 44 5.854 -1.592 -4.080 225 HE1 TYR 44 HE2 TYR 44 4.251 -6.201 -3.101 226 HE2 TYR 44 HE1 TYR 44 5.059 -3.057 -5.936 227 HH TYR 44 HH TYR 44 3.688 -6.305 -5.293 228 H LYS 45 H LYS 45 5.851 -3.321 1.440 229 HA LYS 45 HA LYS 45 3.664 -5.179 1.368 230 HB2 LYS 45 HB2 LYS 45 5.901 -5.604 2.404 231 HB3 LYS 45 HB3 LYS 45 5.436 -4.563 3.765 232 HG2 LYS 45 HG2 LYS 45 3.443 -6.069 4.149 233 HG3 LYS 45 HG3 LYS 45 4.024 -7.123 2.853 234 HD2 LYS 45 HD2 LYS 45 5.602 -6.432 5.354 235 HD3 LYS 45 HD3 LYS 45 4.546 -7.841 5.231 236 HE2 LYS 45 HE2 LYS 45 5.904 -8.852 3.528 237 HE3 LYS 45 HE3 LYS 45 6.858 -7.374 3.310 238 HZ1 LYS 45 HZ1 LYS 45 8.004 -9.040 4.730 239 HZ2 LYS 45 HZ2 LYS 45 6.789 -8.902 5.850 240 HZ3 LYS 45 HZ3 LYS 45 7.735 -7.622 5.510 241 H ASN 46 H ASN 46 4.055 -2.211 3.377 242 HA ASN 46 HA ASN 46 1.586 -2.415 4.782 243 HB2 ASN 46 HB2 ASN 46 2.972 0.101 3.747 244 HB3 ASN 46 HB3 ASN 46 1.740 0.055 4.988 245 HD21 ASN 46 HD21 ASN 46 4.184 1.263 5.288 246 HD22 ASN 46 HD22 ASN 46 5.107 0.416 6.530 247 H CYS 47 H CYS 47 2.229 -0.870 1.584 248 HA CYS 47 HA CYS 47 -0.392 -0.036 1.013 249 HB2 CYS 47 2HB CYS 47 1.797 0.608 0.007 250 HB3 CYS 47 3HB CYS 47 1.913 -0.946 -0.773 251 H ARG 48 H ARG 48 0.948 -3.208 0.722 252 HA ARG 48 HA ARG 48 -1.528 -4.331 -0.544 253 HB2 ARG 48 HB2 ARG 48 0.900 -5.736 0.701 254 HB3 ARG 48 HB3 ARG 48 -0.330 -6.513 -0.272 255 HG2 ARG 48 HG2 ARG 48 1.362 -4.273 -1.461 256 HG3 ARG 48 HG3 ARG 48 2.049 -5.871 -1.260 257 HD2 ARG 48 HD2 ARG 48 -0.560 -5.425 -2.740 258 HD3 ARG 48 HD3 ARG 48 1.016 -5.271 -3.511 259 HE ARG 48 HE ARG 48 1.483 -7.564 -3.223 260 HH11 ARG 48 HH11 ARG 48 -1.946 -6.905 -2.579 261 HH12 ARG 48 HH12 ARG 48 -2.244 -8.622 -2.368 262 HH21 ARG 48 HH21 ARG 48 0.951 -9.649 -2.748 263 HH22 ARG 48 HH22 ARG 48 -0.743 -10.098 -2.799 264 H ARG 49 H ARG 49 0.127 -4.661 2.584 265 HA ARG 49 HA ARG 49 -1.784 -6.250 3.889 266 HB2 ARG 49 HB2 ARG 49 0.495 -6.002 4.620 267 HB3 ARG 49 HB3 ARG 49 0.263 -4.281 4.955 268 HG2 ARG 49 HG2 ARG 49 -1.097 -4.713 6.867 269 HG3 ARG 49 HG3 ARG 49 -1.331 -6.410 6.420 270 HD2 ARG 49 HD2 ARG 49 0.281 -6.120 8.295 271 HD3 ARG 49 HD3 ARG 49 0.965 -6.944 6.882 272 HE ARG 49 HE ARG 49 1.414 -4.033 6.997 273 HH11 ARG 49 HH11 ARG 49 2.814 -6.998 8.280 274 HH12 ARG 49 HH12 ARG 49 4.446 -6.445 7.920 275 HH21 ARG 49 HH21 ARG 49 3.587 -3.436 6.639 276 HH22 ARG 49 HH22 ARG 49 4.827 -4.571 7.174 277 H PHE 50 H PHE 50 -1.758 -2.655 3.682 278 HA PHE 50 HA PHE 50 -3.869 -2.208 5.560 279 HB2 PHE 50 HB2 PHE 50 -2.395 -0.482 4.501 280 HB3 PHE 50 HB3 PHE 50 -3.215 -0.702 2.984 281 HD1 PHE 50 HD1 PHE 50 -3.721 0.385 6.533 282 HD2 PHE 50 HD2 PHE 50 -5.330 0.358 2.534 283 HE1 PHE 50 HE1 PHE 50 -5.468 2.017 7.216 284 HE2 PHE 50 HE2 PHE 50 -7.079 1.972 3.220 285 HZ PHE 50 HZ PHE 50 -7.152 2.805 5.569 286 H TRP 51 H TRP 51 -3.996 -2.557 2.006 287 HA TRP 51 HA TRP 51 -6.890 -2.541 1.991 288 HB2 TRP 51 HB2 TRP 51 -4.835 -3.091 -0.153 289 HB3 TRP 51 HB3 TRP 51 -6.552 -3.088 -0.453 290 HD1 TRP 51 HD1 TRP 51 -3.681 -0.790 -0.398 291 HE1 TRP 51 HE1 TRP 51 -4.425 1.585 -0.795 292 HE3 TRP 51 HE3 TRP 51 -8.658 -1.240 0.828 293 HZ2 TRP 51 HZ2 TRP 51 -6.687 3.224 -0.149 294 HZ3 TRP 51 HZ3 TRP 51 -10.029 0.825 1.104 295 HH2 TRP 51 HH2 TRP 51 -9.043 3.065 0.636 296 H ASN 52 H ASN 52 -4.540 -5.281 1.905 297 HA ASN 52 HA ASN 52 -6.525 -7.332 1.773 298 HB2 ASN 52 HB2 ASN 52 -3.695 -7.086 2.850 299 HB3 ASN 52 HB3 ASN 52 -4.629 -8.539 3.105 300 HD21 ASN 52 HD21 ASN 52 -2.214 -8.568 1.672 301 HD22 ASN 52 HD22 ASN 52 -2.654 -9.068 0.034 302 H SER 53 H SER 53 -5.374 -5.374 4.580 303 HA SER 53 HA SER 53 -6.895 -6.826 6.545 304 HB2 SER 53 HB2 SER 53 -6.227 -3.862 6.648 305 HB3 SER 53 HB3 SER 53 -6.695 -4.905 7.987 306 HG SER 53 HG SER 53 -4.352 -5.175 6.389 307 H ILE 54 H ILE 54 -7.745 -3.977 4.480 308 HA ILE 54 HA ILE 54 -10.435 -3.712 5.469 309 HB ILE 54 HB ILE 54 -9.186 -2.972 2.796 310 HG12 ILE 54 HG12 ILE 54 -8.165 -1.782 4.677 311 HG13 ILE 54 HG13 ILE 54 -9.075 -0.709 3.650 312 HG21 ILE 54 HG21 ILE 54 -11.526 -3.083 2.361 313 HG22 ILE 54 HG22 ILE 54 -11.927 -2.272 3.889 314 HG23 ILE 54 HG23 ILE 54 -11.131 -1.375 2.578 315 HD11 ILE 54 HD11 ILE 54 -9.395 -0.144 6.006 316 HD12 ILE 54 HD12 ILE 54 -10.936 -0.704 5.333 317 HD13 ILE 54 HD13 ILE 54 -9.963 -1.781 6.367 318 H VAL 55 H VAL 55 -9.139 -5.685 2.781 319 HA VAL 55 HA VAL 55 -11.603 -6.832 1.934 320 HB VAL 55 HB VAL 55 -8.742 -7.825 1.885 321 HG11 VAL 55 HG11 VAL 55 -9.409 -9.538 0.251 322 HG12 VAL 55 HG12 VAL 55 -10.073 -9.872 1.849 323 HG13 VAL 55 HG13 VAL 55 -11.117 -9.197 0.577 324 HG21 VAL 55 HG21 VAL 55 -9.440 -5.866 0.452 325 HG22 VAL 55 HG22 VAL 55 -8.858 -7.266 -0.452 326 HG23 VAL 55 HG23 VAL 55 -10.600 -6.934 -0.351 327 H MET 56 H MET 56 -9.315 -8.097 4.457 328 HA MET 56 HA MET 56 -11.027 -10.280 5.195 329 HB2 MET 56 HB2 MET 56 -8.901 -8.790 6.787 330 HB3 MET 56 HB3 MET 56 -9.702 -10.268 7.320 331 HG2 MET 56 HG2 MET 56 -7.972 -9.985 4.842 332 HG3 MET 56 HG3 MET 56 -7.513 -10.732 6.366 333 HE1 MET 56 HE1 MET 56 -6.646 -12.879 5.301 334 HE2 MET 56 HE2 MET 56 -7.502 -13.804 4.048 335 HE3 MET 56 HE3 MET 56 -6.954 -12.144 3.713 336 H GLN 57 H GLN 57 -10.871 -6.932 6.451 337 HA GLN 57 HA GLN 57 -12.879 -7.345 8.493 338 HB2 GLN 57 HB2 GLN 57 -11.740 -4.849 7.184 339 HB3 GLN 57 HB3 GLN 57 -12.956 -4.796 8.459 340 HG2 GLN 57 HG2 GLN 57 -10.200 -6.064 8.764 341 HG3 GLN 57 HG3 GLN 57 -10.668 -4.469 9.341 342 HE21 GLN 57 HE21 GLN 57 -10.507 -7.796 10.182 343 HE22 GLN 57 HE22 GLN 57 -11.531 -7.726 11.602 344 H ARG 58 H ARG 58 -13.154 -6.565 5.048 345 HA ARG 58 HA ARG 58 -16.090 -6.302 5.270 346 HB2 ARG 58 HB2 ARG 58 -14.104 -6.327 2.955 347 HB3 ARG 58 HB3 ARG 58 -15.857 -6.296 2.714 348 HG2 ARG 58 HG2 ARG 58 -16.055 -4.255 4.049 349 HG3 ARG 58 HG3 ARG 58 -14.320 -4.237 4.358 350 HD2 ARG 58 HD2 ARG 58 -13.762 -3.600 2.192 351 HD3 ARG 58 HD3 ARG 58 -15.215 -4.300 1.498 352 HE ARG 58 HE ARG 58 -16.083 -2.235 1.486 353 HH11 ARG 58 HH11 ARG 58 -14.236 -2.275 4.565 354 HH12 ARG 58 HH12 ARG 58 -14.720 -0.629 4.859 355 HH21 ARG 58 HH21 ARG 58 -16.691 -0.142 2.211 356 HH22 ARG 58 HH22 ARG 58 -15.984 0.430 3.710 357 H ARG 59 H ARG 59 -13.869 -8.898 4.727 358 HA ARG 59 HA ARG 59 -15.901 -10.733 3.762 359 HB2 ARG 59 HB2 ARG 59 -13.569 -10.926 3.083 360 HB3 ARG 59 HB3 ARG 59 -13.093 -11.349 4.739 361 HG2 ARG 59 HG2 ARG 59 -14.256 -13.406 4.672 362 HG3 ARG 59 HG3 ARG 59 -15.255 -12.912 3.300 363 HD2 ARG 59 HD2 ARG 59 -13.247 -12.981 1.837 364 HD3 ARG 59 HD3 ARG 59 -12.312 -13.646 3.193 365 HE ARG 59 HE ARG 59 -14.341 -15.377 3.202 366 HH11 ARG 59 HH11 ARG 59 -12.547 -14.400 0.309 367 HH12 ARG 59 HH12 ARG 59 -13.135 -15.820 -0.536 368 HH21 ARG 59 HH21 ARG 59 -15.160 -16.901 1.957 369 HH22 ARG 59 HH22 ARG 59 -14.338 -17.326 0.455 370 H LYS 60 H LYS 60 -14.933 -9.893 7.020 371 HA LYS 60 HA LYS 60 -15.901 -12.166 8.358 372 HB2 LYS 60 HB2 LYS 60 -16.051 -10.860 10.346 373 HB3 LYS 60 HB3 LYS 60 -14.632 -10.361 9.418 374 HG2 LYS 60 HG2 LYS 60 -16.104 -8.483 8.516 375 HG3 LYS 60 HG3 LYS 60 -17.263 -8.885 9.790 376 HD2 LYS 60 HD2 LYS 60 -15.451 -8.492 11.479 377 HD3 LYS 60 HD3 LYS 60 -14.357 -8.036 10.159 378 HE2 LYS 60 HE2 LYS 60 -15.933 -6.189 9.529 379 HE3 LYS 60 HE3 LYS 60 -16.973 -6.642 10.881 380 HZ1 LYS 60 HZ1 LYS 60 -14.170 -5.674 11.163 381 HZ2 LYS 60 HZ2 LYS 60 -15.125 -6.091 12.402 382 HZ3 LYS 60 HZ3 LYS 60 -15.519 -4.792 11.458 383 H ASN 61 H ASN 61 -17.947 -9.582 6.965 384 HA ASN 61 HA ASN 61 -20.353 -11.028 7.921 385 HB2 ASN 61 HB2 ASN 61 -19.910 -8.394 6.492 386 HB3 ASN 61 HB3 ASN 61 -21.502 -9.135 6.586 387 HD21 ASN 61 HD21 ASN 61 -19.049 -7.505 8.403 388 HD22 ASN 61 HD22 ASN 61 -20.019 -7.400 9.894 389 H GLY 62 H GLY 62 -18.377 -11.451 5.210 390 HA2 GLY 62 HA2 GLY 62 -18.559 -12.907 3.463 391 HA3 GLY 62 HA3 GLY 62 -19.896 -13.615 4.363 392 H VAL 63 H VAL 63 -20.249 -10.341 3.146 393 HA VAL 63 HA VAL 63 -22.382 -11.341 1.315 394 HB VAL 63 HB VAL 63 -23.318 -10.645 3.326 395 HG11 VAL 63 HG11 VAL 63 -22.148 -7.840 3.143 396 HG12 VAL 63 HG12 VAL 63 -23.133 -8.543 4.414 397 HG13 VAL 63 HG13 VAL 63 -21.484 -9.118 4.191 398 HG21 VAL 63 HG21 VAL 63 -23.763 -8.402 1.327 399 HG22 VAL 63 HG22 VAL 63 -24.508 -10.017 1.258 400 HG23 VAL 63 HG23 VAL 63 -24.861 -8.921 2.609 401 H LYS 64 H LYS 64 -20.985 -8.110 1.800 402 HA LYS 64 HA LYS 64 -21.332 -7.188 -0.869 403 HB2 LYS 64 HB2 LYS 64 -19.801 -5.345 -0.058 404 HB3 LYS 64 HB3 LYS 64 -21.173 -5.653 0.999 405 HG2 LYS 64 HG2 LYS 64 -19.851 -6.530 2.701 406 HG3 LYS 64 HG3 LYS 64 -18.594 -7.101 1.601 407 HD2 LYS 64 HD2 LYS 64 -17.895 -5.209 3.060 408 HD3 LYS 64 HD3 LYS 64 -17.641 -4.997 1.329 409 HE2 LYS 64 HE2 LYS 64 -18.408 -2.899 2.081 410 HE3 LYS 64 HE3 LYS 64 -19.800 -3.622 1.285 411 HZ1 LYS 64 HZ1 LYS 64 -19.307 -3.381 4.194 412 HZ2 LYS 64 HZ2 LYS 64 -20.558 -4.297 3.591 413 HZ3 LYS 64 HZ3 LYS 64 -20.478 -2.676 3.335 414 HA PRO 65 HA PRO 65 -17.343 -8.270 -2.822 415 HB2 PRO 65 HB2 PRO 65 -16.571 -5.951 -4.049 416 HB3 PRO 65 HB3 PRO 65 -17.871 -7.010 -4.690 417 HG2 PRO 65 HG2 PRO 65 -18.190 -4.536 -2.952 418 HG3 PRO 65 HG3 PRO 65 -19.016 -4.928 -4.490 419 HD2 PRO 65 HD2 PRO 65 -20.214 -5.425 -2.136 420 HD3 PRO 65 HD3 PRO 65 -20.350 -6.595 -3.472 421 H PHE 66 H PHE 66 -15.543 -8.473 -1.683 422 HA PHE 66 HA PHE 66 -15.095 -6.915 0.690 423 HB2 PHE 66 HB2 PHE 66 -13.298 -8.988 -0.594 424 HB3 PHE 66 HB3 PHE 66 -13.296 -8.480 1.076 425 HD1 PHE 66 HD2 PHE 66 -16.355 -8.550 1.572 426 HD2 PHE 66 HD1 PHE 66 -13.703 -11.282 -0.435 427 HE1 PHE 66 HE2 PHE 66 -17.937 -10.389 2.013 428 HE2 PHE 66 HE1 PHE 66 -15.281 -13.155 0.039 429 HZ PHE 66 HZ PHE 66 -17.408 -12.709 1.269 430 H MET 67 H MET 67 -13.218 -7.281 -2.306 431 HA MET 67 HA MET 67 -11.434 -5.099 -1.875 432 HB2 MET 67 HB2 MET 67 -12.475 -6.531 -4.315 433 HB3 MET 67 HB3 MET 67 -11.603 -5.012 -4.518 434 HG2 MET 67 HG2 MET 67 -10.518 -7.408 -3.002 435 HG3 MET 67 HG3 MET 67 -10.117 -6.981 -4.668 436 HE1 MET 67 HE1 MET 67 -6.848 -6.207 -2.569 437 HE2 MET 67 HE2 MET 67 -8.005 -7.560 -2.515 438 HE3 MET 67 HE3 MET 67 -7.423 -6.953 -4.078 439 HA PRO 68 HA PRO 68 -14.672 -1.997 -1.844 440 HB2 PRO 68 HB2 PRO 68 -13.171 0.213 -1.198 441 HB3 PRO 68 HB3 PRO 68 -13.545 -1.103 -0.041 442 HG2 PRO 68 HG2 PRO 68 -11.040 -0.731 -1.723 443 HG3 PRO 68 HG3 PRO 68 -11.156 -1.069 0.035 444 HD2 PRO 68 HD2 PRO 68 -10.732 -3.043 -1.787 445 HD3 PRO 68 HD3 PRO 68 -11.752 -3.309 -0.343 446 H THR 69 H THR 69 -15.519 -0.246 -3.066 447 HA THR 69 HA THR 69 -14.570 0.022 -5.783 448 HB THR 69 HB THR 69 -16.548 1.410 -6.108 449 HG1 THR 69 HG1 THR 69 -17.895 1.690 -4.135 450 HG21 THR 69 HG21 THR 69 -16.908 -1.081 -5.939 451 HG22 THR 69 HG22 THR 69 -18.327 -0.098 -5.545 452 HG23 THR 69 HG23 THR 69 -17.384 -0.854 -4.242 453 H ALA 70 H ALA 70 -14.519 2.259 -6.782 454 HA ALA 70 HA ALA 70 -12.263 3.624 -5.716 455 HB1 ALA 70 HB1 ALA 70 -14.280 4.578 -7.788 456 HB2 ALA 70 HB2 ALA 70 -12.679 5.280 -7.497 457 HB3 ALA 70 HB3 ALA 70 -12.817 3.618 -8.096 458 H ALA 71 H ALA 71 -15.735 4.426 -5.380 459 HA ALA 71 HA ALA 71 -15.402 6.875 -3.924 460 HB1 ALA 71 HB1 ALA 71 -17.795 6.554 -3.435 461 HB2 ALA 71 HB2 ALA 71 -17.467 6.173 -5.133 462 HB3 ALA 71 HB3 ALA 71 -17.701 4.861 -3.959 463 H GLU 72 H GLU 72 -15.527 3.474 -2.854 464 HA GLU 72 HA GLU 72 -15.719 3.981 -0.012 465 HB2 GLU 72 HB2 GLU 72 -14.910 1.584 -1.680 466 HB3 GLU 72 HB3 GLU 72 -14.997 1.553 0.075 467 HG2 GLU 72 HG2 GLU 72 -17.421 2.358 -1.574 468 HG3 GLU 72 HG3 GLU 72 -16.978 0.664 -1.371 469 H ARG 73 H ARG 73 -13.092 2.946 -2.269 470 HA ARG 73 HA ARG 73 -10.866 3.202 -0.554 471 HB2 ARG 73 HB2 ARG 73 -11.171 3.818 -3.528 472 HB3 ARG 73 HB3 ARG 73 -9.618 3.874 -2.686 473 HG2 ARG 73 HG2 ARG 73 -9.796 1.527 -2.069 474 HG3 ARG 73 HG3 ARG 73 -11.370 1.392 -2.858 475 HD2 ARG 73 HD2 ARG 73 -10.458 1.168 -4.906 476 HD3 ARG 73 HD3 ARG 73 -9.402 2.558 -4.699 477 HE ARG 73 HE ARG 73 -8.778 -0.272 -4.015 478 HH11 ARG 73 HH11 ARG 73 -7.421 3.035 -4.190 479 HH12 ARG 73 HH12 ARG 73 -5.839 2.361 -3.801 480 HH21 ARG 73 HH21 ARG 73 -6.827 -0.859 -3.630 481 HH22 ARG 73 HH22 ARG 73 -5.506 0.324 -3.490 482 H ASP 74 H ASP 74 -12.448 5.788 -2.432 483 HA ASP 74 HA ASP 74 -10.713 7.888 -1.604 484 HB2 ASP 74 HB2 ASP 74 -12.283 8.035 -3.497 485 HB3 ASP 74 HB3 ASP 74 -13.653 7.959 -2.399 486 H GLU 75 H GLU 75 -13.969 6.990 -0.165 487 HA GLU 75 HA GLU 75 -13.662 8.995 1.869 488 HB2 GLU 75 HB2 GLU 75 -15.593 8.129 2.888 489 HB3 GLU 75 HB3 GLU 75 -15.820 8.126 1.157 490 HG2 GLU 75 HG2 GLU 75 -15.424 5.678 1.129 491 HG3 GLU 75 HG3 GLU 75 -15.195 5.661 2.869 492 H ILE 76 H ILE 76 -12.618 5.646 1.769 493 HA ILE 76 HA ILE 76 -11.855 5.395 4.536 494 HB ILE 76 HB ILE 76 -11.151 3.917 1.983 495 HG12 ILE 76 HG12 ILE 76 -12.761 2.907 4.368 496 HG13 ILE 76 HG13 ILE 76 -13.523 3.871 3.120 497 HG21 ILE 76 HG21 ILE 76 -9.241 3.633 3.437 498 HG22 ILE 76 HG22 ILE 76 -10.290 3.252 4.823 499 HG23 ILE 76 HG23 ILE 76 -10.179 2.134 3.443 500 HD11 ILE 76 HD11 ILE 76 -12.297 1.129 2.762 501 HD12 ILE 76 HD12 ILE 76 -13.984 1.667 2.528 502 HD13 ILE 76 HD13 ILE 76 -12.748 2.172 1.391 503 H LEU 77 H LEU 77 -9.907 6.196 1.580 504 HA LEU 77 HA LEU 77 -7.449 6.685 3.007 505 HB2 LEU 77 HB2 LEU 77 -8.590 7.574 0.352 506 HB3 LEU 77 HB3 LEU 77 -7.036 8.183 0.915 507 HG LEU 77 HG LEU 77 -7.650 5.214 0.594 508 HD11 LEU 77 HD11 LEU 77 -7.810 6.463 -1.521 509 HD12 LEU 77 HD12 LEU 77 -6.386 5.402 -1.509 510 HD13 LEU 77 HD13 LEU 77 -6.187 7.154 -1.231 511 HD21 LEU 77 HD21 LEU 77 -5.136 5.020 0.561 512 HD22 LEU 77 HD22 LEU 77 -5.753 5.611 2.115 513 HD23 LEU 77 HD23 LEU 77 -5.030 6.747 0.962 514 H ARG 78 H ARG 78 -10.199 8.777 2.225 515 HA ARG 78 HA ARG 78 -9.082 11.198 3.364 516 HB2 ARG 78 HB2 ARG 78 -11.942 10.332 2.838 517 HB3 ARG 78 HB3 ARG 78 -11.538 11.898 3.547 518 HG2 ARG 78 HG2 ARG 78 -10.286 12.576 1.581 519 HG3 ARG 78 HG3 ARG 78 -10.454 10.966 0.859 520 HD2 ARG 78 HD2 ARG 78 -12.926 11.241 0.874 521 HD3 ARG 78 HD3 ARG 78 -12.740 12.887 1.486 522 HE ARG 78 HE ARG 78 -12.077 11.839 -1.229 523 HH11 ARG 78 HH11 ARG 78 -12.243 14.799 0.782 524 HH12 ARG 78 HH12 ARG 78 -12.067 15.776 -0.665 525 HH21 ARG 78 HH21 ARG 78 -12.115 13.293 -2.919 526 HH22 ARG 78 HH22 ARG 78 -11.973 14.999 -2.562 527 H ALA 79 H ALA 79 -10.940 8.519 4.802 528 HA ALA 79 HA ALA 79 -11.021 9.688 7.436 529 HB1 ALA 79 HB1 ALA 79 -12.649 8.028 6.667 530 HB2 ALA 79 HB2 ALA 79 -11.367 6.806 6.525 531 HB3 ALA 79 HB3 ALA 79 -11.803 7.458 8.117 532 H VAL 80 H VAL 80 -8.502 7.723 5.807 533 HA VAL 80 HA VAL 80 -6.822 7.561 8.199 534 HB VAL 80 HB VAL 80 -6.029 7.537 5.260 535 HG11 VAL 80 HG11 VAL 80 -4.501 6.702 7.756 536 HG12 VAL 80 HG12 VAL 80 -3.956 6.484 6.078 537 HG13 VAL 80 HG13 VAL 80 -4.135 8.111 6.736 538 HG21 VAL 80 HG21 VAL 80 -7.471 5.601 5.808 539 HG22 VAL 80 HG22 VAL 80 -5.803 5.098 5.554 540 HG23 VAL 80 HG23 VAL 80 -6.444 5.225 7.206 541 H GLY 81 H GLY 81 -7.102 9.820 5.424 542 HA2 GLY 81 HA2 GLY 81 -6.804 12.111 5.351 543 HA3 GLY 81 HA3 GLY 81 -6.249 12.117 7.027 544 H ASN 82 H ASN 82 -4.692 9.741 5.224 545 HA ASN 82 HA ASN 82 -2.457 11.283 4.201 546 HB2 ASN 82 HB2 ASN 82 -2.145 11.228 6.757 547 HB3 ASN 82 HB3 ASN 82 -1.978 9.479 6.630 548 HD21 ASN 82 HD21 ASN 82 0.162 9.748 7.575 549 HD22 ASN 82 HD22 ASN 82 1.482 10.378 6.596 550 H MET 83 H MET 83 -0.570 9.553 3.740 551 HA MET 83 HA MET 83 -1.661 7.505 2.027 552 HB2 MET 83 HB2 MET 83 0.370 9.062 1.678 553 HB3 MET 83 HB3 MET 83 1.219 8.052 2.839 554 HG2 MET 83 HG2 MET 83 1.893 7.026 0.948 555 HG3 MET 83 HG3 MET 83 0.405 6.108 1.151 556 HE1 MET 83 HE1 MET 83 -1.856 7.422 -1.719 557 HE2 MET 83 HE2 MET 83 -1.624 6.247 -0.406 558 HE3 MET 83 HE3 MET 83 -1.994 7.955 -0.037 559 HA PRO 84 HA PRO 84 -1.233 4.474 5.389 560 HB2 PRO 84 HB2 PRO 84 -2.368 2.290 4.227 561 HB3 PRO 84 HB3 PRO 84 -3.324 3.699 4.779 562 HG2 PRO 84 HG2 PRO 84 -2.484 2.977 1.968 563 HG3 PRO 84 HG3 PRO 84 -4.027 3.660 2.546 564 HD2 PRO 84 HD2 PRO 84 -1.942 5.189 1.466 565 HD3 PRO 84 HD3 PRO 84 -3.208 5.835 2.547 566 H TYR 85 H TYR 85 0.528 4.722 2.667 567 HA TYR 85 HA TYR 85 1.939 2.154 2.662 568 HB2 TYR 85 HB2 TYR 85 2.732 4.688 1.245 569 HB3 TYR 85 HB3 TYR 85 3.161 3.042 0.814 570 HD1 TYR 85 HD2 TYR 85 -0.185 2.454 1.175 571 HD2 TYR 85 HD1 TYR 85 2.440 4.957 -1.153 572 HE1 TYR 85 HE2 TYR 85 -1.967 2.734 -0.545 573 HE2 TYR 85 HE1 TYR 85 0.687 5.174 -2.900 574 HH TYR 85 HH TYR 85 -2.368 3.383 -2.729 Start of MODEL 14 1 H ASN 14 H1 ASN 14 -4.334 -4.814 -6.583 2 HA ASN 14 HA ASN 14 -2.073 -5.146 -7.186 3 HB2 ASN 14 HB2 ASN 14 -2.973 -2.244 -7.481 4 HB3 ASN 14 HB3 ASN 14 -1.590 -2.930 -8.317 5 HD21 ASN 14 HD21 ASN 14 -2.065 -3.555 -10.426 6 HD22 ASN 14 HD22 ASN 14 -3.613 -4.289 -10.856 7 HA PRO 15 HA PRO 15 1.106 -3.924 -4.418 8 HB2 PRO 15 HB2 PRO 15 2.920 -3.368 -6.726 9 HB3 PRO 15 HB3 PRO 15 3.092 -4.548 -5.392 10 HG2 PRO 15 HG2 PRO 15 2.457 -5.364 -7.914 11 HG3 PRO 15 HG3 PRO 15 1.715 -6.131 -6.470 12 HD2 PRO 15 HD2 PRO 15 0.582 -3.935 -8.223 13 HD3 PRO 15 HD3 PRO 15 -0.189 -5.454 -7.682 14 H CYS 16 H CYS 16 2.758 -2.070 -3.887 15 HA CYS 16 HA CYS 16 1.325 0.443 -4.381 16 HB2 CYS 16 2HB CYS 16 2.401 -0.577 -2.146 17 HB3 CYS 16 3HB CYS 16 3.775 0.383 -2.689 18 H LEU 17 H LEU 17 1.832 0.453 -6.684 19 HA LEU 17 HA LEU 17 4.348 0.375 -7.836 20 HB2 LEU 17 HB2 LEU 17 1.676 1.460 -8.659 21 HB3 LEU 17 HB3 LEU 17 3.050 1.985 -9.602 22 HG LEU 17 HG LEU 17 1.929 0.068 -10.606 23 HD11 LEU 17 HD11 LEU 17 4.366 0.447 -10.979 24 HD12 LEU 17 HD12 LEU 17 3.879 -1.245 -11.139 25 HD13 LEU 17 HD13 LEU 17 4.728 -0.711 -9.678 26 HD21 LEU 17 HD21 LEU 17 2.874 -1.528 -8.193 27 HD22 LEU 17 HD22 LEU 17 2.122 -2.180 -9.659 28 HD23 LEU 17 HD23 LEU 17 1.185 -1.120 -8.594 29 H SER 18 H SER 18 2.858 3.264 -6.402 30 HA SER 18 HA SER 18 4.618 5.241 -7.526 31 HB2 SER 18 HB2 SER 18 3.287 5.140 -4.787 32 HB3 SER 18 HB3 SER 18 4.016 6.586 -5.510 33 HG SER 18 HG SER 18 1.896 6.707 -5.822 34 H GLU 19 H GLU 19 4.810 3.295 -4.579 35 HA GLU 19 HA GLU 19 7.359 4.444 -3.680 36 HB2 GLU 19 HB2 GLU 19 5.889 1.979 -2.667 37 HB3 GLU 19 HB3 GLU 19 7.144 2.890 -1.831 38 HG2 GLU 19 HG2 GLU 19 4.309 3.850 -2.451 39 HG3 GLU 19 HG3 GLU 19 4.914 3.309 -0.894 40 H SER 20 H SER 20 6.191 1.648 -5.464 41 HA SER 20 HA SER 20 8.615 0.054 -5.380 42 HB2 SER 20 HB2 SER 20 6.368 -0.854 -5.863 43 HB3 SER 20 HB3 SER 20 6.322 0.087 -7.363 44 HG SER 20 HG SER 20 8.157 -2.003 -6.730 45 H ASP 21 H ASP 21 7.363 2.435 -7.783 46 HA ASP 21 HA ASP 21 9.591 2.263 -9.599 47 HB2 ASP 21 HB2 ASP 21 7.497 3.257 -10.271 48 HB3 ASP 21 HB3 ASP 21 7.565 4.429 -8.952 49 H ALA 22 H ALA 22 8.958 4.469 -6.799 50 HA ALA 22 HA ALA 22 11.435 5.871 -7.114 51 HB1 ALA 22 HB1 ALA 22 9.639 5.669 -4.672 52 HB2 ALA 22 HB2 ALA 22 10.831 6.947 -5.053 53 HB3 ALA 22 HB3 ALA 22 9.389 6.765 -6.051 54 H SER 23 H SER 23 10.574 3.094 -5.012 55 HA SER 23 HA SER 23 13.059 2.512 -3.822 56 HB2 SER 23 HB2 SER 23 10.868 1.278 -3.513 57 HB3 SER 23 HB3 SER 23 11.117 0.520 -5.075 58 HG SER 23 HG SER 23 11.870 -0.872 -3.637 59 H THR 24 H THR 24 11.871 1.401 -7.035 60 HA THR 24 HA THR 24 14.236 0.062 -7.883 61 HB THR 24 HB THR 24 12.098 1.449 -9.559 62 HG1 THR 24 HG1 THR 24 11.183 -0.115 -8.346 63 HG21 THR 24 HG21 THR 24 12.704 -0.099 -11.344 64 HG22 THR 24 HG22 THR 24 14.019 -0.771 -10.362 65 HG23 THR 24 HG23 THR 24 14.091 0.912 -10.943 66 H ARG 25 H ARG 25 13.256 3.473 -8.285 67 HA ARG 25 HA ARG 25 15.598 4.349 -9.729 68 HB2 ARG 25 HB2 ARG 25 13.436 5.744 -8.135 69 HB3 ARG 25 HB3 ARG 25 14.752 6.634 -8.899 70 HG2 ARG 25 HG2 ARG 25 14.066 6.124 -11.076 71 HG3 ARG 25 HG3 ARG 25 13.136 4.705 -10.583 72 HD2 ARG 25 HD2 ARG 25 11.715 6.656 -11.258 73 HD3 ARG 25 HD3 ARG 25 11.397 5.997 -9.649 74 HE ARG 25 HE ARG 25 13.257 8.281 -9.726 75 HH11 ARG 25 HH11 ARG 25 9.866 7.436 -9.471 76 HH12 ARG 25 HH12 ARG 25 9.501 8.987 -8.755 77 HH21 ARG 25 HH21 ARG 25 12.736 10.032 -8.422 78 HH22 ARG 25 HH22 ARG 25 11.116 10.197 -7.827 79 H CYS 26 H CYS 26 14.916 4.288 -6.189 80 HA CYS 26 HA CYS 26 17.373 5.543 -5.424 81 HB2 CYS 26 2HB CYS 26 15.596 5.233 -3.797 82 HB3 CYS 26 3HB CYS 26 15.693 3.473 -3.963 83 H LEU 27 H LEU 27 16.565 2.084 -5.880 84 HA LEU 27 HA LEU 27 19.200 1.088 -5.281 85 HB2 LEU 27 HB2 LEU 27 16.644 0.080 -6.531 86 HB3 LEU 27 HB3 LEU 27 18.111 -0.847 -6.826 87 HG LEU 27 HG LEU 27 18.552 -1.161 -4.579 88 HD11 LEU 27 HD11 LEU 27 17.141 -0.493 -2.668 89 HD12 LEU 27 HD12 LEU 27 16.220 0.577 -3.746 90 HD13 LEU 27 HD13 LEU 27 17.952 0.869 -3.423 91 HD21 LEU 27 HD21 LEU 27 15.546 -1.556 -4.892 92 HD22 LEU 27 HD22 LEU 27 16.638 -2.533 -3.892 93 HD23 LEU 27 HD23 LEU 27 16.764 -2.583 -5.665 94 H ASP 28 H ASP 28 17.738 2.060 -8.274 95 HA ASP 28 HA ASP 28 20.015 1.710 -10.005 96 HB2 ASP 28 HB2 ASP 28 17.688 2.037 -10.770 97 HB3 ASP 28 HB3 ASP 28 17.721 3.699 -10.181 98 H GLU 29 H GLU 29 19.077 4.541 -7.986 99 HA GLU 29 HA GLU 29 21.162 6.342 -8.722 100 HB2 GLU 29 HB2 GLU 29 19.187 5.988 -6.544 101 HB3 GLU 29 HB3 GLU 29 20.636 6.736 -5.962 102 HG2 GLU 29 HG2 GLU 29 19.324 7.820 -8.464 103 HG3 GLU 29 HG3 GLU 29 18.526 8.054 -6.920 104 H ASN 30 H ASN 30 21.094 3.827 -6.175 105 HA ASN 30 HA ASN 30 24.047 4.078 -5.835 106 HB2 ASN 30 HB2 ASN 30 23.467 3.660 -3.381 107 HB3 ASN 30 HB3 ASN 30 23.182 5.270 -4.038 108 HD21 ASN 30 HD21 ASN 30 21.383 2.200 -3.661 109 HD22 ASN 30 HD22 ASN 30 19.845 2.988 -3.335 110 H ASN 31 H ASN 31 24.351 2.234 -7.184 111 HA ASN 31 HA ASN 31 24.896 0.010 -7.416 112 HB2 ASN 31 HB2 ASN 31 26.479 1.450 -5.998 113 HB3 ASN 31 HB3 ASN 31 25.861 0.581 -4.598 114 HD21 ASN 31 HD21 ASN 31 28.293 0.178 -4.570 115 HD22 ASN 31 HD22 ASN 31 28.900 -1.189 -5.510 116 H TYR 32 H TYR 32 22.260 -0.352 -6.880 117 HA TYR 32 HA TYR 32 20.660 -1.578 -5.952 118 HB2 TYR 32 HB2 TYR 32 21.896 -3.173 -7.390 119 HB3 TYR 32 HB3 TYR 32 22.778 -3.745 -5.983 120 HD1 TYR 32 HD2 TYR 32 19.208 -3.020 -5.407 121 HD2 TYR 32 HD1 TYR 32 22.021 -6.022 -6.693 122 HE1 TYR 32 HE2 TYR 32 17.517 -4.708 -5.029 123 HE2 TYR 32 HE1 TYR 32 20.297 -7.772 -6.311 124 HH TYR 32 HH TYR 32 18.178 -8.221 -5.680 125 H ASP 33 H ASP 33 21.799 -0.006 -3.974 126 HA ASP 33 HA ASP 33 22.283 -1.525 -1.595 127 HB2 ASP 33 HB2 ASP 33 23.263 0.758 -2.262 128 HB3 ASP 33 HB3 ASP 33 21.824 1.433 -1.484 129 H ARG 34 H ARG 34 20.411 -2.649 -2.066 130 HA ARG 34 HA ARG 34 17.746 -2.143 -1.229 131 HB2 ARG 34 HB2 ARG 34 17.610 -4.587 -1.335 132 HB3 ARG 34 HB3 ARG 34 18.547 -3.945 -2.659 133 HG2 ARG 34 HG2 ARG 34 20.644 -4.481 -1.105 134 HG3 ARG 34 HG3 ARG 34 19.510 -5.550 -0.272 135 HD2 ARG 34 HD2 ARG 34 19.058 -6.729 -2.379 136 HD3 ARG 34 HD3 ARG 34 20.029 -5.558 -3.280 137 HE ARG 34 HE ARG 34 21.028 -7.756 -1.579 138 HH11 ARG 34 HH11 ARG 34 22.106 -4.856 -3.353 139 HH12 ARG 34 HH12 ARG 34 23.616 -5.677 -3.753 140 HH21 ARG 34 HH21 ARG 34 22.926 -8.509 -2.017 141 HH22 ARG 34 HH22 ARG 34 24.184 -7.519 -2.754 142 H GLU 35 H GLU 35 20.483 -2.170 0.729 143 HA GLU 35 HA GLU 35 18.983 -2.820 3.234 144 HB2 GLU 35 HB2 GLU 35 21.894 -2.073 2.793 145 HB3 GLU 35 HB3 GLU 35 21.148 -2.414 4.356 146 HG2 GLU 35 HG2 GLU 35 20.640 -4.730 3.617 147 HG3 GLU 35 HG3 GLU 35 21.399 -4.398 2.056 148 H ARG 36 H ARG 36 20.719 -0.036 1.675 149 HA ARG 36 HA ARG 36 19.892 1.910 3.668 150 HB2 ARG 36 HB2 ARG 36 21.044 1.985 0.882 151 HB3 ARG 36 HB3 ARG 36 20.241 3.433 1.448 152 HG2 ARG 36 HG2 ARG 36 22.706 3.410 1.812 153 HG3 ARG 36 HG3 ARG 36 21.740 3.757 3.251 154 HD2 ARG 36 HD2 ARG 36 22.107 1.561 4.152 155 HD3 ARG 36 HD3 ARG 36 22.807 0.982 2.649 156 HE ARG 36 HE ARG 36 24.085 2.985 4.490 157 HH11 ARG 36 HH11 ARG 36 24.660 0.680 1.873 158 HH12 ARG 36 HH12 ARG 36 26.266 0.356 2.464 159 HH21 ARG 36 HH21 ARG 36 26.089 2.725 4.958 160 HH22 ARG 36 HH22 ARG 36 27.061 1.433 4.263 161 H CYS 37 H CYS 37 18.390 0.905 0.601 162 HA CYS 37 HA CYS 37 16.060 2.644 1.256 163 HB2 CYS 37 2HB CYS 37 17.322 1.737 -1.259 164 HB3 CYS 37 3HB CYS 37 15.567 1.925 -1.291 165 H SER 38 H SER 38 16.468 -0.040 2.586 166 HA SER 38 HA SER 38 14.255 -1.703 1.788 167 HB2 SER 38 HB2 SER 38 14.537 -2.743 3.965 168 HB3 SER 38 HB3 SER 38 16.109 -2.470 3.208 169 HG SER 38 HG SER 38 16.371 -1.795 5.201 170 H THR 39 H THR 39 14.351 1.350 3.342 171 HA THR 39 HA THR 39 11.977 1.597 4.836 172 HB THR 39 HB THR 39 12.121 4.019 3.876 173 HG1 THR 39 HG1 THR 39 14.158 4.426 2.898 174 HG21 THR 39 HG21 THR 39 14.126 4.508 5.175 175 HG22 THR 39 HG22 THR 39 14.563 2.779 5.180 176 HG23 THR 39 HG23 THR 39 13.101 3.330 6.026 177 H TYR 40 H TYR 40 12.514 2.068 1.383 178 HA TYR 40 HA TYR 40 9.829 2.757 0.661 179 HB2 TYR 40 HB2 TYR 40 12.070 1.496 -0.982 180 HB3 TYR 40 HB3 TYR 40 10.519 2.021 -1.621 181 HD1 TYR 40 HD2 TYR 40 13.440 3.401 0.321 182 HD2 TYR 40 HD1 TYR 40 10.291 4.107 -2.535 183 HE1 TYR 40 HE2 TYR 40 14.316 5.697 -0.076 184 HE2 TYR 40 HE1 TYR 40 11.219 6.363 -2.987 185 HH TYR 40 HH TYR 40 13.944 7.696 -1.117 186 H PHE 41 H PHE 41 11.544 -0.389 0.483 187 HA PHE 41 HA PHE 41 9.343 -1.955 -0.433 188 HB2 PHE 41 HB2 PHE 41 11.614 -2.770 -0.527 189 HB3 PHE 41 HB3 PHE 41 11.801 -2.630 1.217 190 HD1 PHE 41 HD1 PHE 41 9.230 -4.222 -1.072 191 HD2 PHE 41 HD2 PHE 41 11.952 -4.718 2.246 192 HE1 PHE 41 HE1 PHE 41 8.430 -6.544 -0.758 193 HE2 PHE 41 HE2 PHE 41 11.143 -7.051 2.549 194 HZ PHE 41 HZ PHE 41 9.358 -7.949 1.067 195 H LEU 42 H LEU 42 10.364 -1.092 2.887 196 HA LEU 42 HA LEU 42 8.232 -2.404 4.237 197 HB2 LEU 42 HB2 LEU 42 10.065 -1.775 5.569 198 HB3 LEU 42 HB3 LEU 42 10.207 -0.199 4.822 199 HG LEU 42 HG LEU 42 8.240 0.616 6.067 200 HD11 LEU 42 HD11 LEU 42 8.409 -2.045 7.546 201 HD12 LEU 42 HD12 LEU 42 7.097 -1.550 6.453 202 HD13 LEU 42 HD13 LEU 42 7.364 -0.657 7.954 203 HD21 LEU 42 HD21 LEU 42 9.365 0.725 8.250 204 HD22 LEU 42 HD22 LEU 42 10.526 0.940 6.934 205 HD23 LEU 42 HD23 LEU 42 10.434 -0.617 7.786 206 H ARG 43 H ARG 43 8.333 0.988 3.009 207 HA ARG 43 HA ARG 43 5.618 1.444 3.873 208 HB2 ARG 43 HB2 ARG 43 7.380 3.158 3.502 209 HB3 ARG 43 HB3 ARG 43 7.161 2.974 1.745 210 HG2 ARG 43 HG2 ARG 43 4.891 3.743 1.898 211 HG3 ARG 43 HG3 ARG 43 4.905 3.576 3.684 212 HD2 ARG 43 HD2 ARG 43 6.568 5.394 3.818 213 HD3 ARG 43 HD3 ARG 43 6.520 5.598 2.071 214 HE ARG 43 HE ARG 43 4.246 6.100 3.989 215 HH11 ARG 43 HH11 ARG 43 5.427 6.659 0.704 216 HH12 ARG 43 HH12 ARG 43 4.412 8.087 0.550 217 HH21 ARG 43 HH21 ARG 43 3.062 7.949 3.663 218 HH22 ARG 43 HH22 ARG 43 3.203 8.813 2.157 219 H TYR 44 H TYR 44 6.878 -0.136 1.086 220 HA TYR 44 HA TYR 44 4.399 -0.114 -0.507 221 HB2 TYR 44 HB2 TYR 44 6.292 -0.343 -1.774 222 HB3 TYR 44 HB3 TYR 44 7.090 -1.427 -0.655 223 HD1 TYR 44 HD2 TYR 44 6.241 -3.862 -0.477 224 HD2 TYR 44 HD1 TYR 44 5.370 -1.173 -3.726 225 HE1 TYR 44 HE2 TYR 44 5.896 -5.808 -1.996 226 HE2 TYR 44 HE1 TYR 44 5.108 -3.118 -5.267 227 HH TYR 44 HH TYR 44 5.317 -5.423 -5.476 228 H LYS 45 H LYS 45 5.989 -2.348 1.779 229 HA LYS 45 HA LYS 45 3.906 -4.314 1.835 230 HB2 LYS 45 HB2 LYS 45 6.242 -4.649 2.578 231 HB3 LYS 45 HB3 LYS 45 5.965 -3.568 3.951 232 HG2 LYS 45 HG2 LYS 45 4.271 -5.088 4.855 233 HG3 LYS 45 HG3 LYS 45 4.378 -6.115 3.417 234 HD2 LYS 45 HD2 LYS 45 5.612 -7.142 5.216 235 HD3 LYS 45 HD3 LYS 45 6.734 -6.630 3.952 236 HE2 LYS 45 HE2 LYS 45 7.302 -4.607 5.308 237 HE3 LYS 45 HE3 LYS 45 6.180 -5.156 6.572 238 HZ1 LYS 45 HZ1 LYS 45 8.467 -5.818 7.052 239 HZ2 LYS 45 HZ2 LYS 45 8.557 -6.638 5.614 240 HZ3 LYS 45 HZ3 LYS 45 7.543 -7.157 6.786 241 H ASN 46 H ASN 46 4.445 -1.467 4.001 242 HA ASN 46 HA ASN 46 2.135 -1.769 5.612 243 HB2 ASN 46 HB2 ASN 46 3.366 0.819 4.472 244 HB3 ASN 46 HB3 ASN 46 2.254 0.758 5.828 245 HD21 ASN 46 HD21 ASN 46 4.445 2.123 5.999 246 HD22 ASN 46 HD22 ASN 46 5.690 1.372 6.975 247 H CYS 47 H CYS 47 2.421 -0.054 2.478 248 HA CYS 47 HA CYS 47 -0.167 0.932 2.202 249 HB2 CYS 47 2HB CYS 47 1.699 1.625 0.868 250 HB3 CYS 47 3HB CYS 47 2.036 0.001 0.338 251 H ARG 48 H ARG 48 1.077 -2.218 0.881 252 HA ARG 48 HA ARG 48 -1.635 -2.998 0.137 253 HB2 ARG 48 HB2 ARG 48 -0.688 -4.842 -0.867 254 HB3 ARG 48 HB3 ARG 48 0.379 -3.484 -1.157 255 HG2 ARG 48 HG2 ARG 48 1.942 -5.061 -0.672 256 HG3 ARG 48 HG3 ARG 48 1.705 -4.434 0.962 257 HD2 ARG 48 HD2 ARG 48 0.147 -6.278 1.477 258 HD3 ARG 48 HD3 ARG 48 0.143 -6.767 -0.206 259 HE ARG 48 HE ARG 48 1.994 -7.566 1.843 260 HH11 ARG 48 HH11 ARG 48 1.924 -7.149 -1.684 261 HH12 ARG 48 HH12 ARG 48 3.436 -7.982 -1.861 262 HH21 ARG 48 HH21 ARG 48 3.717 -8.745 1.510 263 HH22 ARG 48 HH22 ARG 48 4.414 -8.925 -0.101 264 H ARG 49 H ARG 49 0.379 -3.690 3.001 265 HA ARG 49 HA ARG 49 -1.323 -5.704 4.093 266 HB2 ARG 49 HB2 ARG 49 0.906 -5.208 5.021 267 HB3 ARG 49 HB3 ARG 49 0.314 -3.638 5.602 268 HG2 ARG 49 HG2 ARG 49 -1.360 -4.823 7.040 269 HG3 ARG 49 HG3 ARG 49 -0.790 -6.374 6.409 270 HD2 ARG 49 HD2 ARG 49 0.000 -5.866 8.684 271 HD3 ARG 49 HD3 ARG 49 1.307 -6.139 7.555 272 HE ARG 49 HE ARG 49 0.425 -3.499 8.651 273 HH11 ARG 49 HH11 ARG 49 2.951 -5.303 6.930 274 HH12 ARG 49 HH12 ARG 49 4.108 -4.022 7.268 275 HH21 ARG 49 HH21 ARG 49 1.999 -1.964 8.921 276 HH22 ARG 49 HH22 ARG 49 3.503 -2.101 8.016 277 H PHE 50 H PHE 50 -1.605 -2.141 4.183 278 HA PHE 50 HA PHE 50 -3.782 -2.013 6.052 279 HB2 PHE 50 HB2 PHE 50 -2.441 -0.051 5.288 280 HB3 PHE 50 HB3 PHE 50 -3.144 -0.169 3.702 281 HD1 PHE 50 HD1 PHE 50 -3.906 0.549 7.283 282 HD2 PHE 50 HD2 PHE 50 -5.368 0.666 3.224 283 HE1 PHE 50 HE1 PHE 50 -5.821 1.956 8.007 284 HE2 PHE 50 HE2 PHE 50 -7.288 2.043 3.953 285 HZ PHE 50 HZ PHE 50 -7.520 2.698 6.349 286 H TRP 51 H TRP 51 -3.850 -1.812 2.490 287 HA TRP 51 HA TRP 51 -6.671 -2.088 2.305 288 HB2 TRP 51 HB2 TRP 51 -4.482 -2.515 0.256 289 HB3 TRP 51 HB3 TRP 51 -6.202 -2.570 -0.115 290 HD1 TRP 51 HD1 TRP 51 -3.475 -0.158 -0.172 291 HE1 TRP 51 HE1 TRP 51 -4.386 2.232 -0.456 292 HE3 TRP 51 HE3 TRP 51 -8.349 -0.916 1.259 293 HZ2 TRP 51 HZ2 TRP 51 -6.737 3.673 0.225 294 HZ3 TRP 51 HZ3 TRP 51 -9.862 1.029 1.559 295 HH2 TRP 51 HH2 TRP 51 -9.066 3.330 1.066 296 H ASN 52 H ASN 52 -4.196 -4.714 2.332 297 HA ASN 52 HA ASN 52 -6.045 -6.841 1.948 298 HB2 ASN 52 HB2 ASN 52 -3.333 -6.542 3.288 299 HB3 ASN 52 HB3 ASN 52 -4.183 -8.055 3.283 300 HD21 ASN 52 HD21 ASN 52 -1.900 -8.403 2.133 301 HD22 ASN 52 HD22 ASN 52 -2.033 -8.347 0.367 302 H SER 53 H SER 53 -5.204 -5.044 4.984 303 HA SER 53 HA SER 53 -6.898 -6.687 6.654 304 HB2 SER 53 HB2 SER 53 -5.947 -3.825 6.995 305 HB3 SER 53 HB3 SER 53 -6.902 -4.708 8.195 306 HG SER 53 HG SER 53 -4.523 -4.695 8.353 307 H ILE 54 H ILE 54 -7.580 -3.723 4.697 308 HA ILE 54 HA ILE 54 -10.345 -3.520 5.543 309 HB ILE 54 HB ILE 54 -8.890 -2.595 3.036 310 HG12 ILE 54 HG12 ILE 54 -8.038 -1.534 5.072 311 HG13 ILE 54 HG13 ILE 54 -8.866 -0.394 4.047 312 HG21 ILE 54 HG21 ILE 54 -10.792 -1.023 2.696 313 HG22 ILE 54 HG22 ILE 54 -11.213 -2.712 2.425 314 HG23 ILE 54 HG23 ILE 54 -11.714 -1.917 3.932 315 HD11 ILE 54 HD11 ILE 54 -10.861 -0.500 5.566 316 HD12 ILE 54 HD12 ILE 54 -9.978 -1.646 6.604 317 HD13 ILE 54 HD13 ILE 54 -9.387 0.012 6.401 318 H VAL 55 H VAL 55 -8.777 -5.303 2.882 319 HA VAL 55 HA VAL 55 -11.110 -6.504 1.783 320 HB VAL 55 HB VAL 55 -8.218 -7.356 1.952 321 HG11 VAL 55 HG11 VAL 55 -9.359 -9.494 1.882 322 HG12 VAL 55 HG12 VAL 55 -10.405 -8.934 0.561 323 HG13 VAL 55 HG13 VAL 55 -8.661 -9.138 0.305 324 HG21 VAL 55 HG21 VAL 55 -8.938 -5.470 0.458 325 HG22 VAL 55 HG22 VAL 55 -8.198 -6.834 -0.388 326 HG23 VAL 55 HG23 VAL 55 -9.962 -6.623 -0.417 327 H MET 56 H MET 56 -9.041 -7.711 4.517 328 HA MET 56 HA MET 56 -10.778 -9.909 5.105 329 HB2 MET 56 HB2 MET 56 -8.790 -8.406 6.838 330 HB3 MET 56 HB3 MET 56 -9.660 -9.836 7.375 331 HG2 MET 56 HG2 MET 56 -7.749 -9.660 5.019 332 HG3 MET 56 HG3 MET 56 -7.437 -10.438 6.560 333 HE1 MET 56 HE1 MET 56 -10.069 -12.151 7.154 334 HE2 MET 56 HE2 MET 56 -9.651 -13.684 6.364 335 HE3 MET 56 HE3 MET 56 -8.418 -12.805 7.292 336 H GLN 57 H GLN 57 -10.887 -6.565 6.319 337 HA GLN 57 HA GLN 57 -13.111 -7.010 8.130 338 HB2 GLN 57 HB2 GLN 57 -11.623 -4.620 7.052 339 HB3 GLN 57 HB3 GLN 57 -13.217 -4.381 7.744 340 HG2 GLN 57 HG2 GLN 57 -11.621 -3.953 9.434 341 HG3 GLN 57 HG3 GLN 57 -12.554 -5.383 9.855 342 HE21 GLN 57 HE21 GLN 57 -11.406 -7.561 9.573 343 HE22 GLN 57 HE22 GLN 57 -9.644 -7.559 9.714 344 H ARG 58 H ARG 58 -13.021 -6.366 4.656 345 HA ARG 58 HA ARG 58 -15.980 -6.251 4.525 346 HB2 ARG 58 HB2 ARG 58 -13.767 -6.220 2.450 347 HB3 ARG 58 HB3 ARG 58 -15.484 -6.364 2.017 348 HG2 ARG 58 HG2 ARG 58 -16.046 -4.315 3.125 349 HG3 ARG 58 HG3 ARG 58 -14.410 -4.125 3.768 350 HD2 ARG 58 HD2 ARG 58 -13.493 -3.518 1.709 351 HD3 ARG 58 HD3 ARG 58 -14.796 -4.273 0.792 352 HE ARG 58 HE ARG 58 -15.762 -2.208 0.680 353 HH11 ARG 58 HH11 ARG 58 -14.327 -2.113 3.988 354 HH12 ARG 58 HH12 ARG 58 -14.973 -0.503 4.142 355 HH21 ARG 58 HH21 ARG 58 -16.600 -0.380 1.221 356 HH22 ARG 58 HH22 ARG 58 -16.168 0.395 2.763 357 H ARG 59 H ARG 59 -13.504 -8.673 4.187 358 HA ARG 59 HA ARG 59 -15.215 -10.742 3.161 359 HB2 ARG 59 HB2 ARG 59 -12.778 -10.673 2.840 360 HB3 ARG 59 HB3 ARG 59 -12.543 -11.042 4.560 361 HG2 ARG 59 HG2 ARG 59 -13.527 -13.201 4.318 362 HG3 ARG 59 HG3 ARG 59 -14.139 -12.836 2.690 363 HD2 ARG 59 HD2 ARG 59 -11.865 -12.747 1.814 364 HD3 ARG 59 HD3 ARG 59 -11.192 -13.012 3.434 365 HE ARG 59 HE ARG 59 -12.947 -15.168 2.948 366 HH11 ARG 59 HH11 ARG 59 -10.042 -14.008 1.334 367 HH12 ARG 59 HH12 ARG 59 -9.580 -15.615 0.853 368 HH21 ARG 59 HH21 ARG 59 -12.276 -17.133 2.419 369 HH22 ARG 59 HH22 ARG 59 -10.794 -17.376 1.507 370 H LYS 60 H LYS 60 -14.813 -9.622 6.457 371 HA LYS 60 HA LYS 60 -15.892 -11.822 7.842 372 HB2 LYS 60 HB2 LYS 60 -16.503 -10.375 9.566 373 HB3 LYS 60 HB3 LYS 60 -15.066 -9.657 8.817 374 HG2 LYS 60 HG2 LYS 60 -16.633 -8.093 7.582 375 HG3 LYS 60 HG3 LYS 60 -17.965 -8.760 8.533 376 HD2 LYS 60 HD2 LYS 60 -17.006 -8.024 10.609 377 HD3 LYS 60 HD3 LYS 60 -15.506 -7.506 9.805 378 HE2 LYS 60 HE2 LYS 60 -16.657 -5.756 8.607 379 HE3 LYS 60 HE3 LYS 60 -18.233 -6.301 9.195 380 HZ1 LYS 60 HZ1 LYS 60 -16.106 -5.391 11.058 381 HZ2 LYS 60 HZ2 LYS 60 -17.728 -5.526 11.351 382 HZ3 LYS 60 HZ3 LYS 60 -17.165 -4.345 10.375 383 H ASN 61 H ASN 61 -17.666 -9.619 5.720 384 HA ASN 61 HA ASN 61 -20.167 -11.120 6.263 385 HB2 ASN 61 HB2 ASN 61 -19.557 -8.510 4.854 386 HB3 ASN 61 HB3 ASN 61 -21.110 -9.314 4.705 387 HD21 ASN 61 HD21 ASN 61 -19.248 -7.256 6.666 388 HD22 ASN 61 HD22 ASN 61 -20.341 -7.226 8.038 389 H GLY 62 H GLY 62 -17.628 -11.143 3.958 390 HA2 GLY 62 HA2 GLY 62 -17.159 -12.738 2.393 391 HA3 GLY 62 HA3 GLY 62 -18.613 -13.573 2.912 392 H VAL 63 H VAL 63 -19.447 -10.533 1.774 393 HA VAL 63 HA VAL 63 -20.889 -11.909 -0.387 394 HB VAL 63 HB VAL 63 -22.120 -11.119 1.482 395 HG11 VAL 63 HG11 VAL 63 -21.272 -8.264 0.832 396 HG12 VAL 63 HG12 VAL 63 -22.425 -8.779 2.065 397 HG13 VAL 63 HG13 VAL 63 -20.727 -9.218 2.241 398 HG21 VAL 63 HG21 VAL 63 -23.204 -11.075 -0.751 399 HG22 VAL 63 HG22 VAL 63 -23.890 -9.919 0.397 400 HG23 VAL 63 HG23 VAL 63 -22.811 -9.346 -0.890 401 H LYS 64 H LYS 64 -19.167 -8.796 -0.084 402 HA LYS 64 HA LYS 64 -19.772 -8.099 -2.912 403 HB2 LYS 64 HB2 LYS 64 -18.829 -5.886 -2.249 404 HB3 LYS 64 HB3 LYS 64 -20.183 -6.386 -1.249 405 HG2 LYS 64 HG2 LYS 64 -18.807 -6.791 0.630 406 HG3 LYS 64 HG3 LYS 64 -17.333 -6.909 -0.336 407 HD2 LYS 64 HD2 LYS 64 -17.522 -4.818 1.021 408 HD3 LYS 64 HD3 LYS 64 -17.223 -4.577 -0.704 409 HE2 LYS 64 HE2 LYS 64 -19.572 -3.995 -1.094 410 HE3 LYS 64 HE3 LYS 64 -20.002 -4.446 0.562 411 HZ1 LYS 64 HZ1 LYS 64 -19.805 -2.049 0.309 412 HZ2 LYS 64 HZ2 LYS 64 -18.230 -2.161 -0.156 413 HZ3 LYS 64 HZ3 LYS 64 -18.692 -2.589 1.364 414 HA PRO 65 HA PRO 65 -15.355 -8.404 -4.142 415 HB2 PRO 65 HB2 PRO 65 -14.930 -6.041 -5.439 416 HB3 PRO 65 HB3 PRO 65 -15.790 -7.438 -6.174 417 HG2 PRO 65 HG2 PRO 65 -17.024 -5.020 -4.843 418 HG3 PRO 65 HG3 PRO 65 -17.415 -5.707 -6.446 419 HD2 PRO 65 HD2 PRO 65 -18.905 -6.357 -4.290 420 HD3 PRO 65 HD3 PRO 65 -18.468 -7.596 -5.482 421 H PHE 66 H PHE 66 -14.111 -8.264 -2.494 422 HA PHE 66 HA PHE 66 -14.403 -6.518 -0.238 423 HB2 PHE 66 HB2 PHE 66 -12.154 -8.410 -1.020 424 HB3 PHE 66 HB3 PHE 66 -12.479 -7.796 0.582 425 HD1 PHE 66 HD1 PHE 66 -15.494 -8.243 0.717 426 HD2 PHE 66 HD2 PHE 66 -12.319 -10.709 -0.806 427 HE1 PHE 66 HE1 PHE 66 -16.885 -10.241 1.094 428 HE2 PHE 66 HE2 PHE 66 -13.701 -12.741 -0.388 429 HZ PHE 66 HZ PHE 66 -16.000 -12.506 0.530 430 H MET 67 H MET 67 -12.010 -6.775 -2.837 431 HA MET 67 HA MET 67 -10.360 -4.548 -2.130 432 HB2 MET 67 HB2 MET 67 -11.089 -5.868 -4.754 433 HB3 MET 67 HB3 MET 67 -10.162 -4.370 -4.729 434 HG2 MET 67 HG2 MET 67 -9.360 -6.894 -3.250 435 HG3 MET 67 HG3 MET 67 -8.725 -6.385 -4.814 436 HE1 MET 67 HE1 MET 67 -5.724 -5.917 -2.296 437 HE2 MET 67 HE2 MET 67 -6.979 -7.175 -2.331 438 HE3 MET 67 HE3 MET 67 -6.224 -6.637 -3.847 439 HA PRO 68 HA PRO 68 -13.820 -1.787 -2.169 440 HB2 PRO 68 HB2 PRO 68 -12.579 0.608 -1.555 441 HB3 PRO 68 HB3 PRO 68 -12.868 -0.716 -0.383 442 HG2 PRO 68 HG2 PRO 68 -10.350 -0.110 -1.963 443 HG3 PRO 68 HG3 PRO 68 -10.512 -0.485 -0.216 444 HD2 PRO 68 HD2 PRO 68 -9.809 -2.409 -2.005 445 HD3 PRO 68 HD3 PRO 68 -10.896 -2.768 -0.630 446 H THR 69 H THR 69 -14.948 -0.360 -3.442 447 HA THR 69 HA THR 69 -13.805 0.463 -6.024 448 HB THR 69 HB THR 69 -16.052 1.209 -6.571 449 HG1 THR 69 HG1 THR 69 -16.782 0.309 -3.981 450 HG21 THR 69 HG21 THR 69 -16.151 -1.546 -5.246 451 HG22 THR 69 HG22 THR 69 -15.603 -1.195 -6.898 452 HG23 THR 69 HG23 THR 69 -17.293 -0.913 -6.443 453 H ALA 70 H ALA 70 -14.100 2.673 -6.754 454 HA ALA 70 HA ALA 70 -12.391 4.279 -5.450 455 HB1 ALA 70 HB1 ALA 70 -13.039 4.557 -7.793 456 HB2 ALA 70 HB2 ALA 70 -14.616 5.226 -7.305 457 HB3 ALA 70 HB3 ALA 70 -13.119 6.110 -6.943 458 H ALA 71 H ALA 71 -15.966 4.731 -5.027 459 HA ALA 71 HA ALA 71 -15.639 6.954 -3.249 460 HB1 ALA 71 HB1 ALA 71 -18.030 6.676 -2.823 461 HB2 ALA 71 HB2 ALA 71 -17.688 6.503 -4.547 462 HB3 ALA 71 HB3 ALA 71 -18.001 5.062 -3.549 463 H GLU 72 H GLU 72 -15.645 3.447 -2.599 464 HA GLU 72 HA GLU 72 -15.886 3.584 0.283 465 HB2 GLU 72 HB2 GLU 72 -14.698 1.429 -1.514 466 HB3 GLU 72 HB3 GLU 72 -15.077 1.274 0.189 467 HG2 GLU 72 HG2 GLU 72 -17.474 1.525 -0.307 468 HG3 GLU 72 HG3 GLU 72 -17.104 1.812 -2.012 469 H ARG 73 H ARG 73 -13.238 3.043 -2.074 470 HA ARG 73 HA ARG 73 -11.025 3.129 -0.332 471 HB2 ARG 73 HB2 ARG 73 -11.230 2.515 -2.841 472 HB3 ARG 73 HB3 ARG 73 -11.068 4.242 -3.171 473 HG2 ARG 73 HG2 ARG 73 -8.854 4.223 -2.005 474 HG3 ARG 73 HG3 ARG 73 -9.044 2.486 -1.707 475 HD2 ARG 73 HD2 ARG 73 -8.943 3.784 -4.457 476 HD3 ARG 73 HD3 ARG 73 -7.579 3.012 -3.662 477 HE ARG 73 HE ARG 73 -9.922 1.716 -4.916 478 HH11 ARG 73 HH11 ARG 73 -6.821 1.146 -3.329 479 HH12 ARG 73 HH12 ARG 73 -7.004 -0.588 -3.441 480 HH21 ARG 73 HH21 ARG 73 -10.045 -0.479 -5.016 481 HH22 ARG 73 HH22 ARG 73 -8.567 -1.408 -4.791 482 H ASP 74 H ASP 74 -12.694 5.825 -1.930 483 HA ASP 74 HA ASP 74 -11.078 7.939 -0.959 484 HB2 ASP 74 HB2 ASP 74 -12.624 8.334 -2.752 485 HB3 ASP 74 HB3 ASP 74 -13.990 7.788 -1.792 486 H GLU 75 H GLU 75 -14.249 6.754 0.412 487 HA GLU 75 HA GLU 75 -14.038 8.565 2.629 488 HB2 GLU 75 HB2 GLU 75 -15.914 7.527 3.560 489 HB3 GLU 75 HB3 GLU 75 -16.179 7.613 1.829 490 HG2 GLU 75 HG2 GLU 75 -15.829 5.243 1.586 491 HG3 GLU 75 HG3 GLU 75 -15.204 5.069 3.221 492 H ILE 76 H ILE 76 -12.744 5.340 2.197 493 HA ILE 76 HA ILE 76 -12.043 4.871 4.970 494 HB ILE 76 HB ILE 76 -11.109 3.691 2.339 495 HG12 ILE 76 HG12 ILE 76 -12.767 2.292 4.473 496 HG13 ILE 76 HG13 ILE 76 -13.552 3.378 3.349 497 HG21 ILE 76 HG21 ILE 76 -10.418 2.867 5.188 498 HG22 ILE 76 HG22 ILE 76 -10.141 1.844 3.765 499 HG23 ILE 76 HG23 ILE 76 -9.297 3.396 3.914 500 HD11 ILE 76 HD11 ILE 76 -13.831 1.347 2.318 501 HD12 ILE 76 HD12 ILE 76 -12.454 1.995 1.447 502 HD13 ILE 76 HD13 ILE 76 -12.188 0.776 2.714 503 H LEU 77 H LEU 77 -10.163 6.065 2.126 504 HA LEU 77 HA LEU 77 -7.748 6.689 3.529 505 HB2 LEU 77 HB2 LEU 77 -9.115 7.761 1.045 506 HB3 LEU 77 HB3 LEU 77 -7.593 8.437 1.604 507 HG LEU 77 HG LEU 77 -7.963 5.471 1.025 508 HD11 LEU 77 HD11 LEU 77 -8.396 6.867 -0.960 509 HD12 LEU 77 HD12 LEU 77 -6.898 5.930 -1.120 510 HD13 LEU 77 HD13 LEU 77 -6.827 7.669 -0.729 511 HD21 LEU 77 HD21 LEU 77 -5.509 7.231 1.429 512 HD22 LEU 77 HD22 LEU 77 -5.446 5.557 0.827 513 HD23 LEU 77 HD23 LEU 77 -6.055 5.889 2.458 514 H ARG 78 H ARG 78 -10.729 8.533 3.145 515 HA ARG 78 HA ARG 78 -9.704 10.836 4.617 516 HB2 ARG 78 HB2 ARG 78 -12.377 10.103 3.437 517 HB3 ARG 78 HB3 ARG 78 -12.277 11.408 4.629 518 HG2 ARG 78 HG2 ARG 78 -10.598 12.586 3.335 519 HG3 ARG 78 HG3 ARG 78 -10.535 11.293 2.126 520 HD2 ARG 78 HD2 ARG 78 -12.703 11.782 1.311 521 HD3 ARG 78 HD3 ARG 78 -13.131 12.725 2.746 522 HE ARG 78 HE ARG 78 -11.676 14.516 2.050 523 HH11 ARG 78 HH11 ARG 78 -12.413 12.269 -0.625 524 HH12 ARG 78 HH12 ARG 78 -12.250 13.586 -1.758 525 HH21 ARG 78 HH21 ARG 78 -10.910 15.783 0.473 526 HH22 ARG 78 HH22 ARG 78 -11.138 15.332 -1.198 527 H ALA 79 H ALA 79 -11.424 7.928 5.578 528 HA ALA 79 HA ALA 79 -11.833 8.784 8.319 529 HB1 ALA 79 HB1 ALA 79 -12.346 6.420 8.730 530 HB2 ALA 79 HB2 ALA 79 -13.195 7.022 7.299 531 HB3 ALA 79 HB3 ALA 79 -11.756 5.990 7.112 532 H VAL 80 H VAL 80 -9.032 7.322 6.635 533 HA VAL 80 HA VAL 80 -7.432 7.317 9.119 534 HB VAL 80 HB VAL 80 -6.575 7.310 6.193 535 HG11 VAL 80 HG11 VAL 80 -4.768 8.064 7.715 536 HG12 VAL 80 HG12 VAL 80 -5.022 6.621 8.723 537 HG13 VAL 80 HG13 VAL 80 -4.435 6.462 7.053 538 HG21 VAL 80 HG21 VAL 80 -6.847 4.998 8.168 539 HG22 VAL 80 HG22 VAL 80 -7.859 5.266 6.733 540 HG23 VAL 80 HG23 VAL 80 -6.146 4.902 6.537 541 H GLY 81 H GLY 81 -7.894 9.398 6.273 542 HA2 GLY 81 HA2 GLY 81 -7.944 11.670 6.036 543 HA3 GLY 81 HA3 GLY 81 -7.437 11.904 7.704 544 H ASN 82 H ASN 82 -5.384 9.679 6.372 545 HA ASN 82 HA ASN 82 -3.534 11.473 4.954 546 HB2 ASN 82 HB2 ASN 82 -2.887 11.659 7.368 547 HB3 ASN 82 HB3 ASN 82 -2.767 9.903 7.465 548 HD21 ASN 82 HD21 ASN 82 -0.559 9.922 8.056 549 HD22 ASN 82 HD22 ASN 82 0.688 10.437 6.907 550 H MET 83 H MET 83 -1.702 10.083 4.048 551 HA MET 83 HA MET 83 -2.656 7.788 2.653 552 HB2 MET 83 HB2 MET 83 -0.780 9.465 2.052 553 HB3 MET 83 HB3 MET 83 0.225 8.593 3.190 554 HG2 MET 83 HG2 MET 83 0.834 7.558 1.277 555 HG3 MET 83 HG3 MET 83 -0.504 6.495 1.697 556 HE1 MET 83 HE1 MET 83 -3.108 7.114 -1.039 557 HE2 MET 83 HE2 MET 83 -2.503 6.109 0.295 558 HE3 MET 83 HE3 MET 83 -3.218 7.706 0.628 559 HA PRO 84 HA PRO 84 -2.091 5.087 6.221 560 HB2 PRO 84 HB2 PRO 84 -2.939 2.722 5.167 561 HB3 PRO 84 HB3 PRO 84 -4.049 4.062 5.576 562 HG2 PRO 84 HG2 PRO 84 -2.986 3.265 2.853 563 HG3 PRO 84 HG3 PRO 84 -4.628 3.799 3.311 564 HD2 PRO 84 HD2 PRO 84 -2.718 5.487 2.233 565 HD3 PRO 84 HD3 PRO 84 -4.024 6.056 3.308 566 H TYR 85 H TYR 85 -0.185 5.275 3.580 567 HA TYR 85 HA TYR 85 1.381 2.827 3.820 568 HB2 TYR 85 HB2 TYR 85 2.197 5.385 2.459 569 HB3 TYR 85 HB3 TYR 85 2.758 3.749 2.131 570 HD1 TYR 85 HD2 TYR 85 -0.670 3.153 2.186 571 HD2 TYR 85 HD1 TYR 85 2.327 5.283 -0.072 572 HE1 TYR 85 HE2 TYR 85 -2.191 3.225 0.241 573 HE2 TYR 85 HE1 TYR 85 0.823 5.282 -2.049 574 HH TYR 85 HH TYR 85 -2.518 4.012 -1.916 Start of MODEL 15 1 H ASN 14 H1 ASN 14 -3.584 -1.386 -2.194 2 HA ASN 14 HA ASN 14 -3.232 -1.851 -4.510 3 HB2 ASN 14 HB2 ASN 14 -2.262 1.029 -4.728 4 HB3 ASN 14 HB3 ASN 14 -2.318 -0.159 -6.011 5 HD21 ASN 14 HD21 ASN 14 -4.067 0.160 -7.455 6 HD22 ASN 14 HD22 ASN 14 -5.625 0.754 -6.925 7 HA PRO 15 HA PRO 15 1.252 -2.028 -3.393 8 HB2 PRO 15 HB2 PRO 15 2.320 -2.394 -5.889 9 HB3 PRO 15 HB3 PRO 15 1.577 -3.723 -4.942 10 HG2 PRO 15 HG2 PRO 15 0.308 -2.059 -7.138 11 HG3 PRO 15 HG3 PRO 15 0.306 -3.841 -6.952 12 HD2 PRO 15 HD2 PRO 15 -1.765 -2.286 -6.140 13 HD3 PRO 15 HD3 PRO 15 -1.295 -3.745 -5.223 14 H CYS 16 H CYS 16 2.709 -0.319 -3.358 15 HA CYS 16 HA CYS 16 1.769 2.231 -4.553 16 HB2 CYS 16 2HB CYS 16 3.410 1.483 -2.179 17 HB3 CYS 16 3HB CYS 16 3.808 2.985 -3.002 18 H LEU 17 H LEU 17 2.318 1.726 -6.735 19 HA LEU 17 HA LEU 17 4.858 0.951 -7.649 20 HB2 LEU 17 HB2 LEU 17 2.484 2.356 -8.888 21 HB3 LEU 17 HB3 LEU 17 3.975 2.292 -9.796 22 HG LEU 17 HG LEU 17 2.430 0.528 -10.445 23 HD11 LEU 17 HD11 LEU 17 4.888 0.213 -10.687 24 HD12 LEU 17 HD12 LEU 17 3.997 -1.305 -10.505 25 HD13 LEU 17 HD13 LEU 17 4.915 -0.658 -9.137 26 HD21 LEU 17 HD21 LEU 17 2.882 -0.697 -7.695 27 HD22 LEU 17 HD22 LEU 17 1.982 -1.406 -9.048 28 HD23 LEU 17 HD23 LEU 17 1.371 0.058 -8.264 29 H SER 18 H SER 18 3.852 4.217 -6.751 30 HA SER 18 HA SER 18 5.918 5.647 -8.138 31 HB2 SER 18 HB2 SER 18 4.687 6.403 -5.477 32 HB3 SER 18 HB3 SER 18 5.345 7.508 -6.707 33 HG SER 18 HG SER 18 3.672 6.623 -8.124 34 H GLU 19 H GLU 19 5.749 4.406 -4.802 35 HA GLU 19 HA GLU 19 8.473 5.238 -4.156 36 HB2 GLU 19 HB2 GLU 19 6.329 4.913 -2.594 37 HB3 GLU 19 HB3 GLU 19 6.859 3.240 -2.567 38 HG2 GLU 19 HG2 GLU 19 7.826 4.160 -0.665 39 HG3 GLU 19 HG3 GLU 19 9.162 4.161 -1.801 40 H SER 20 H SER 20 6.864 2.340 -5.394 41 HA SER 20 HA SER 20 9.154 0.567 -5.058 42 HB2 SER 20 HB2 SER 20 6.697 -0.091 -5.503 43 HB3 SER 20 HB3 SER 20 7.065 0.211 -7.215 44 HG SER 20 HG SER 20 7.605 -1.897 -6.917 45 H ASP 21 H ASP 21 8.070 2.641 -7.794 46 HA ASP 21 HA ASP 21 10.238 2.011 -9.553 47 HB2 ASP 21 HB2 ASP 21 8.111 3.107 -10.225 48 HB3 ASP 21 HB3 ASP 21 8.581 4.560 -9.334 49 H ALA 22 H ALA 22 9.854 4.654 -7.087 50 HA ALA 22 HA ALA 22 12.415 5.783 -7.558 51 HB1 ALA 22 HB1 ALA 22 12.033 6.953 -5.452 52 HB2 ALA 22 HB2 ALA 22 10.550 6.918 -6.414 53 HB3 ALA 22 HB3 ALA 22 10.721 5.819 -5.028 54 H SER 23 H SER 23 11.440 3.260 -5.194 55 HA SER 23 HA SER 23 13.969 2.575 -4.135 56 HB2 SER 23 HB2 SER 23 11.737 1.630 -3.440 57 HB3 SER 23 HB3 SER 23 11.760 0.619 -4.888 58 HG SER 23 HG SER 23 12.719 -0.655 -3.427 59 H THR 24 H THR 24 12.395 1.204 -7.095 60 HA THR 24 HA THR 24 14.498 -0.516 -7.898 61 HB THR 24 HB THR 24 12.596 1.047 -9.701 62 HG1 THR 24 HG1 THR 24 11.488 -0.214 -8.190 63 HG21 THR 24 HG21 THR 24 14.346 0.044 -11.055 64 HG22 THR 24 HG22 THR 24 12.884 -0.934 -11.221 65 HG23 THR 24 HG23 THR 24 14.208 -1.493 -10.179 66 H ARG 25 H ARG 25 13.990 2.930 -8.688 67 HA ARG 25 HA ARG 25 16.449 3.217 -10.203 68 HB2 ARG 25 HB2 ARG 25 14.364 5.134 -9.106 69 HB3 ARG 25 HB3 ARG 25 15.914 5.726 -9.697 70 HG2 ARG 25 HG2 ARG 25 14.555 5.913 -11.550 71 HG3 ARG 25 HG3 ARG 25 15.526 4.488 -11.846 72 HD2 ARG 25 HD2 ARG 25 13.473 3.144 -10.995 73 HD3 ARG 25 HD3 ARG 25 12.575 4.663 -11.140 74 HE ARG 25 HE ARG 25 13.973 3.144 -13.313 75 HH11 ARG 25 HH11 ARG 25 11.244 5.250 -12.615 76 HH12 ARG 25 HH12 ARG 25 10.988 5.583 -14.298 77 HH21 ARG 25 HH21 ARG 25 13.564 3.600 -15.392 78 HH22 ARG 25 HH22 ARG 25 12.347 4.762 -15.829 79 H CYS 26 H CYS 26 15.754 3.687 -6.719 80 HA CYS 26 HA CYS 26 18.353 4.700 -6.011 81 HB2 CYS 26 2HB CYS 26 16.616 4.787 -4.368 82 HB3 CYS 26 3HB CYS 26 16.283 3.065 -4.500 83 H LEU 27 H LEU 27 17.108 1.362 -6.278 84 HA LEU 27 HA LEU 27 19.572 0.092 -5.525 85 HB2 LEU 27 HB2 LEU 27 16.875 -0.664 -6.665 86 HB3 LEU 27 HB3 LEU 27 18.176 -1.849 -6.757 87 HG LEU 27 HG LEU 27 18.572 -1.835 -4.505 88 HD11 LEU 27 HD11 LEU 27 18.313 0.404 -3.669 89 HD12 LEU 27 HD12 LEU 27 17.294 -0.683 -2.741 90 HD13 LEU 27 HD13 LEU 27 16.555 0.350 -3.968 91 HD21 LEU 27 HD21 LEU 27 16.438 -2.787 -3.665 92 HD22 LEU 27 HD22 LEU 27 16.473 -3.040 -5.427 93 HD23 LEU 27 HD23 LEU 27 15.517 -1.732 -4.745 94 H ASP 28 H ASP 28 18.280 0.939 -8.629 95 HA ASP 28 HA ASP 28 20.620 -0.049 -10.079 96 HB2 ASP 28 HB2 ASP 28 18.251 0.287 -11.023 97 HB3 ASP 28 HB3 ASP 28 18.720 1.982 -11.230 98 H GLU 29 H GLU 29 19.904 3.109 -8.550 99 HA GLU 29 HA GLU 29 22.178 4.532 -9.548 100 HB2 GLU 29 HB2 GLU 29 20.295 4.759 -7.231 101 HB3 GLU 29 HB3 GLU 29 21.882 5.425 -6.965 102 HG2 GLU 29 HG2 GLU 29 21.566 6.712 -9.145 103 HG3 GLU 29 HG3 GLU 29 19.900 6.145 -9.160 104 H ASN 30 H ASN 30 21.817 2.670 -6.510 105 HA ASN 30 HA ASN 30 24.789 2.596 -6.230 106 HB2 ASN 30 HB2 ASN 30 24.183 2.694 -3.745 107 HB3 ASN 30 HB3 ASN 30 24.024 4.161 -4.702 108 HD21 ASN 30 HD21 ASN 30 22.010 1.362 -3.849 109 HD22 ASN 30 HD22 ASN 30 20.503 2.259 -3.830 110 H ASN 31 H ASN 31 24.836 0.534 -7.343 111 HA ASN 31 HA ASN 31 25.215 -1.714 -7.268 112 HB2 ASN 31 HB2 ASN 31 26.905 -0.332 -5.926 113 HB3 ASN 31 HB3 ASN 31 26.140 -0.967 -4.476 114 HD21 ASN 31 HD21 ASN 31 28.257 -1.868 -3.954 115 HD22 ASN 31 HD22 ASN 31 28.902 -3.227 -4.870 116 H TYR 32 H TYR 32 22.444 -1.544 -6.691 117 HA TYR 32 HA TYR 32 20.711 -2.572 -5.845 118 HB2 TYR 32 HB2 TYR 32 22.265 -4.468 -6.864 119 HB3 TYR 32 HB3 TYR 32 22.215 -5.087 -5.227 120 HD1 TYR 32 HD2 TYR 32 19.222 -4.088 -4.715 121 HD2 TYR 32 HD1 TYR 32 21.147 -6.272 -7.893 122 HE1 TYR 32 HE2 TYR 32 17.064 -5.110 -5.301 123 HE2 TYR 32 HE1 TYR 32 18.970 -7.314 -8.485 124 HH TYR 32 HH TYR 32 16.765 -7.476 -8.004 125 H ASP 33 H ASP 33 21.874 -0.897 -3.949 126 HA ASP 33 HA ASP 33 22.074 -2.243 -1.455 127 HB2 ASP 33 HB2 ASP 33 23.315 -0.139 -2.238 128 HB3 ASP 33 HB3 ASP 33 21.942 0.744 -1.559 129 H ARG 34 H ARG 34 19.956 -3.170 -1.963 130 HA ARG 34 HA ARG 34 17.465 -2.059 -1.125 131 HB2 ARG 34 HB2 ARG 34 16.651 -4.253 -1.227 132 HB3 ARG 34 HB3 ARG 34 17.932 -4.173 -2.429 133 HG2 ARG 34 HG2 ARG 34 19.419 -5.131 -0.404 134 HG3 ARG 34 HG3 ARG 34 17.848 -5.652 0.198 135 HD2 ARG 34 HD2 ARG 34 19.284 -6.424 -2.353 136 HD3 ARG 34 HD3 ARG 34 18.748 -7.476 -1.035 137 HE ARG 34 HE ARG 34 16.396 -6.378 -2.105 138 HH11 ARG 34 HH11 ARG 34 18.968 -8.485 -3.336 139 HH12 ARG 34 HH12 ARG 34 17.889 -9.070 -4.606 140 HH21 ARG 34 HH21 ARG 34 15.275 -7.088 -3.881 141 HH22 ARG 34 HH22 ARG 34 15.964 -8.383 -4.872 142 H GLU 35 H GLU 35 20.145 -2.735 0.843 143 HA GLU 35 HA GLU 35 18.665 -2.825 3.397 144 HB2 GLU 35 HB2 GLU 35 21.576 -2.295 2.742 145 HB3 GLU 35 HB3 GLU 35 20.916 -2.315 4.372 146 HG2 GLU 35 HG2 GLU 35 20.427 -4.646 4.282 147 HG3 GLU 35 HG3 GLU 35 20.672 -4.721 2.530 148 H ARG 36 H ARG 36 20.676 -0.324 1.681 149 HA ARG 36 HA ARG 36 19.998 1.844 3.441 150 HB2 ARG 36 HB2 ARG 36 20.837 1.842 0.504 151 HB3 ARG 36 HB3 ARG 36 20.712 3.299 1.480 152 HG2 ARG 36 HG2 ARG 36 22.542 0.985 2.186 153 HG3 ARG 36 HG3 ARG 36 23.029 2.373 1.201 154 HD2 ARG 36 HD2 ARG 36 22.577 3.884 3.086 155 HD3 ARG 36 HD3 ARG 36 22.052 2.503 4.079 156 HE ARG 36 HE ARG 36 24.624 1.890 3.053 157 HH11 ARG 36 HH11 ARG 36 23.307 4.201 5.373 158 HH12 ARG 36 HH12 ARG 36 24.792 4.207 6.289 159 HH21 ARG 36 HH21 ARG 36 26.394 1.949 4.187 160 HH22 ARG 36 HH22 ARG 36 26.540 3.009 5.588 161 H CYS 37 H CYS 37 18.384 0.683 0.509 162 HA CYS 37 HA CYS 37 16.227 2.689 0.977 163 HB2 CYS 37 2HB CYS 37 17.151 1.209 -1.443 164 HB3 CYS 37 3HB CYS 37 15.509 1.858 -1.385 165 H SER 38 H SER 38 16.559 -0.026 2.523 166 HA SER 38 HA SER 38 14.198 -1.601 2.131 167 HB2 SER 38 HB2 SER 38 15.879 -0.868 4.549 168 HB3 SER 38 HB3 SER 38 14.392 -1.799 4.736 169 HG SER 38 HG SER 38 16.328 -2.613 2.849 170 H THR 39 H THR 39 14.508 1.637 3.587 171 HA THR 39 HA THR 39 11.973 1.733 4.842 172 HB THR 39 HB THR 39 13.932 3.251 5.100 173 HG1 THR 39 HG1 THR 39 11.998 3.630 6.074 174 HG21 THR 39 HG21 THR 39 12.777 4.766 2.741 175 HG22 THR 39 HG22 THR 39 14.365 3.961 2.815 176 HG23 THR 39 HG23 THR 39 14.022 5.340 3.863 177 H TYR 40 H TYR 40 12.773 2.234 1.458 178 HA TYR 40 HA TYR 40 10.203 3.294 0.603 179 HB2 TYR 40 HB2 TYR 40 12.346 1.741 -0.920 180 HB3 TYR 40 HB3 TYR 40 10.905 2.438 -1.626 181 HD1 TYR 40 HD2 TYR 40 13.824 3.587 0.510 182 HD2 TYR 40 HD1 TYR 40 11.175 4.402 -2.786 183 HE1 TYR 40 HE2 TYR 40 14.988 5.742 0.103 184 HE2 TYR 40 HE1 TYR 40 12.356 6.509 -3.234 185 HH TYR 40 HH TYR 40 13.945 8.036 -2.439 186 H PHE 41 H PHE 41 11.633 0.009 0.586 187 HA PHE 41 HA PHE 41 9.288 -1.341 -0.305 188 HB2 PHE 41 HB2 PHE 41 11.606 -2.171 -0.475 189 HB3 PHE 41 HB3 PHE 41 11.680 -2.342 1.275 190 HD1 PHE 41 HD2 PHE 41 9.087 -3.342 -1.326 191 HD2 PHE 41 HD1 PHE 41 11.808 -4.598 1.777 192 HE1 PHE 41 HE2 PHE 41 8.255 -5.664 -1.541 193 HE2 PHE 41 HE1 PHE 41 10.986 -6.940 1.537 194 HZ PHE 41 HZ PHE 41 9.193 -7.464 -0.110 195 H LEU 42 H LEU 42 10.332 -0.419 2.970 196 HA LEU 42 HA LEU 42 8.185 -1.732 4.342 197 HB2 LEU 42 HB2 LEU 42 10.087 -1.009 5.606 198 HB3 LEU 42 HB3 LEU 42 9.992 0.622 4.958 199 HG LEU 42 HG LEU 42 7.925 1.064 6.239 200 HD11 LEU 42 HD11 LEU 42 8.438 -1.679 7.456 201 HD12 LEU 42 HD12 LEU 42 7.032 -1.214 6.460 202 HD13 LEU 42 HD13 LEU 42 7.269 -0.470 8.040 203 HD21 LEU 42 HD21 LEU 42 10.070 1.669 7.164 204 HD22 LEU 42 HD22 LEU 42 10.271 0.044 7.872 205 HD23 LEU 42 HD23 LEU 42 8.994 1.134 8.456 206 H ARG 43 H ARG 43 8.367 1.662 3.111 207 HA ARG 43 HA ARG 43 5.641 2.316 3.794 208 HB2 ARG 43 HB2 ARG 43 7.354 3.278 1.496 209 HB3 ARG 43 HB3 ARG 43 5.858 4.051 2.044 210 HG2 ARG 43 HG2 ARG 43 6.820 4.829 4.057 211 HG3 ARG 43 HG3 ARG 43 8.145 3.670 3.996 212 HD2 ARG 43 HD2 ARG 43 8.850 4.846 1.801 213 HD3 ARG 43 HD3 ARG 43 7.708 6.127 2.252 214 HE ARG 43 HE ARG 43 9.297 5.867 4.492 215 HH11 ARG 43 HH11 ARG 43 9.901 6.661 1.115 216 HH12 ARG 43 HH12 ARG 43 11.480 7.348 1.496 217 HH21 ARG 43 HH21 ARG 43 11.238 6.776 4.873 218 HH22 ARG 43 HH22 ARG 43 12.179 7.508 3.602 219 H TYR 44 H TYR 44 6.984 0.503 1.121 220 HA TYR 44 HA TYR 44 4.513 0.354 -0.418 221 HB2 TYR 44 HB2 TYR 44 6.690 0.079 -1.434 222 HB3 TYR 44 HB3 TYR 44 7.032 -1.332 -0.444 223 HD1 TYR 44 HD2 TYR 44 5.912 -3.494 -0.880 224 HD2 TYR 44 HD1 TYR 44 5.357 -0.048 -3.401 225 HE1 TYR 44 HE2 TYR 44 5.082 -4.970 -2.713 226 HE2 TYR 44 HE1 TYR 44 4.528 -1.536 -5.242 227 HH TYR 44 HH TYR 44 4.397 -5.082 -4.904 228 H LYS 45 H LYS 45 6.053 -1.838 1.991 229 HA LYS 45 HA LYS 45 3.950 -3.751 2.225 230 HB2 LYS 45 HB2 LYS 45 6.312 -2.963 3.793 231 HB3 LYS 45 HB3 LYS 45 4.947 -3.245 4.850 232 HG2 LYS 45 HG2 LYS 45 5.989 -5.329 4.716 233 HG3 LYS 45 HG3 LYS 45 4.580 -5.459 3.677 234 HD2 LYS 45 HD2 LYS 45 6.341 -6.494 2.443 235 HD3 LYS 45 HD3 LYS 45 6.156 -4.904 1.703 236 HE2 LYS 45 HE2 LYS 45 8.476 -5.134 1.933 237 HE3 LYS 45 HE3 LYS 45 8.037 -4.116 3.302 238 HZ1 LYS 45 HZ1 LYS 45 8.579 -7.039 3.370 239 HZ2 LYS 45 HZ2 LYS 45 8.056 -6.192 4.682 240 HZ3 LYS 45 HZ3 LYS 45 9.519 -5.855 4.008 241 H ASN 46 H ASN 46 4.337 -0.692 4.095 242 HA ASN 46 HA ASN 46 1.919 -0.957 5.545 243 HB2 ASN 46 HB2 ASN 46 3.168 1.678 4.621 244 HB3 ASN 46 HB3 ASN 46 2.189 1.435 6.056 245 HD21 ASN 46 HD21 ASN 46 4.839 2.608 5.720 246 HD22 ASN 46 HD22 ASN 46 5.953 1.655 6.677 247 H CYS 47 H CYS 47 2.427 0.637 2.383 248 HA CYS 47 HA CYS 47 -0.197 1.573 1.937 249 HB2 CYS 47 2HB CYS 47 1.787 2.297 0.746 250 HB3 CYS 47 3HB CYS 47 2.105 0.682 0.150 251 H ARG 48 H ARG 48 1.235 -1.560 0.785 252 HA ARG 48 HA ARG 48 -1.369 -2.373 -0.178 253 HB2 ARG 48 HB2 ARG 48 -0.390 -4.347 -0.918 254 HB3 ARG 48 HB3 ARG 48 0.685 -3.002 -1.247 255 HG2 ARG 48 HG2 ARG 48 2.172 -4.612 -0.594 256 HG3 ARG 48 HG3 ARG 48 1.959 -3.746 0.924 257 HD2 ARG 48 HD2 ARG 48 0.488 -5.470 1.783 258 HD3 ARG 48 HD3 ARG 48 0.326 -6.180 0.179 259 HE ARG 48 HE ARG 48 2.829 -6.685 0.342 260 HH11 ARG 48 HH11 ARG 48 0.843 -6.798 3.254 261 HH12 ARG 48 HH12 ARG 48 2.157 -7.438 4.205 262 HH21 ARG 48 HH21 ARG 48 4.276 -7.853 1.533 263 HH22 ARG 48 HH22 ARG 48 4.012 -8.086 3.239 264 H ARG 49 H ARG 49 0.296 -2.937 2.861 265 HA ARG 49 HA ARG 49 -1.392 -4.980 3.940 266 HB2 ARG 49 HB2 ARG 49 0.796 -4.347 4.896 267 HB3 ARG 49 HB3 ARG 49 0.140 -2.770 5.365 268 HG2 ARG 49 HG2 ARG 49 -1.525 -3.989 6.849 269 HG3 ARG 49 HG3 ARG 49 -0.711 -5.503 6.440 270 HD2 ARG 49 HD2 ARG 49 0.583 -3.071 7.754 271 HD3 ARG 49 HD3 ARG 49 -0.022 -4.483 8.622 272 HE ARG 49 HE ARG 49 1.632 -5.865 7.305 273 HH11 ARG 49 HH11 ARG 49 2.497 -2.447 7.932 274 HH12 ARG 49 HH12 ARG 49 4.176 -2.846 7.601 275 HH21 ARG 49 HH21 ARG 49 3.740 -6.158 7.117 276 HH22 ARG 49 HH22 ARG 49 4.847 -4.791 7.351 277 H PHE 50 H PHE 50 -1.785 -1.432 3.882 278 HA PHE 50 HA PHE 50 -3.955 -1.371 5.757 279 HB2 PHE 50 HB2 PHE 50 -2.716 0.637 5.013 280 HB3 PHE 50 HB3 PHE 50 -3.383 0.493 3.404 281 HD1 PHE 50 HD2 PHE 50 -4.304 1.031 6.998 282 HD2 PHE 50 HD1 PHE 50 -5.598 1.283 2.892 283 HE1 PHE 50 HE2 PHE 50 -6.396 2.157 7.720 284 HE2 PHE 50 HE1 PHE 50 -7.688 2.389 3.611 285 HZ PHE 50 HZ PHE 50 -8.102 2.811 6.037 286 H TRP 51 H TRP 51 -4.045 -1.180 2.225 287 HA TRP 51 HA TRP 51 -6.875 -1.577 2.063 288 HB2 TRP 51 HB2 TRP 51 -4.671 -1.718 0.002 289 HB3 TRP 51 HB3 TRP 51 -6.382 -1.880 -0.400 290 HD1 TRP 51 HD1 TRP 51 -3.781 0.745 -0.025 291 HE1 TRP 51 HE1 TRP 51 -4.861 3.075 -0.176 292 HE3 TRP 51 HE3 TRP 51 -8.673 -0.511 0.923 293 HZ2 TRP 51 HZ2 TRP 51 -7.353 4.260 0.434 294 HZ3 TRP 51 HZ3 TRP 51 -10.346 1.290 1.322 295 HH2 TRP 51 HH2 TRP 51 -9.694 3.679 1.103 296 H ASN 52 H ASN 52 -4.251 -4.048 1.918 297 HA ASN 52 HA ASN 52 -5.999 -6.259 1.398 298 HB2 ASN 52 HB2 ASN 52 -3.280 -5.862 2.693 299 HB3 ASN 52 HB3 ASN 52 -4.062 -7.404 2.756 300 HD21 ASN 52 HD21 ASN 52 -1.771 -7.544 1.602 301 HD22 ASN 52 HD22 ASN 52 -2.001 -7.746 -0.156 302 H SER 53 H SER 53 -5.193 -4.551 4.476 303 HA SER 53 HA SER 53 -6.615 -6.446 6.125 304 HB2 SER 53 HB2 SER 53 -6.011 -3.538 6.751 305 HB3 SER 53 HB3 SER 53 -6.454 -4.819 7.895 306 HG SER 53 HG SER 53 -4.102 -4.541 6.335 307 H ILE 54 H ILE 54 -7.629 -3.413 4.462 308 HA ILE 54 HA ILE 54 -10.353 -3.431 5.387 309 HB ILE 54 HB ILE 54 -9.050 -2.454 2.822 310 HG12 ILE 54 HG12 ILE 54 -8.276 -1.277 4.811 311 HG13 ILE 54 HG13 ILE 54 -9.213 -0.238 3.773 312 HG21 ILE 54 HG21 ILE 54 -11.381 -2.810 2.258 313 HG22 ILE 54 HG22 ILE 54 -11.904 -1.906 3.694 314 HG23 ILE 54 HG23 ILE 54 -11.031 -1.090 2.382 315 HD11 ILE 54 HD11 ILE 54 -10.175 -1.510 6.383 316 HD12 ILE 54 HD12 ILE 54 -9.726 0.182 6.123 317 HD13 ILE 54 HD13 ILE 54 -11.167 -0.468 5.331 318 H VAL 55 H VAL 55 -8.847 -5.026 2.555 319 HA VAL 55 HA VAL 55 -11.154 -6.390 1.616 320 HB VAL 55 HB VAL 55 -8.190 -6.949 1.407 321 HG11 VAL 55 HG11 VAL 55 -8.681 -8.567 -0.394 322 HG12 VAL 55 HG12 VAL 55 -9.163 -9.162 1.195 323 HG13 VAL 55 HG13 VAL 55 -10.392 -8.554 0.069 324 HG21 VAL 55 HG21 VAL 55 -9.169 -4.986 0.232 325 HG22 VAL 55 HG22 VAL 55 -8.535 -6.204 -0.880 326 HG23 VAL 55 HG23 VAL 55 -10.286 -6.074 -0.612 327 H MET 56 H MET 56 -8.758 -7.553 4.076 328 HA MET 56 HA MET 56 -10.033 -10.034 4.664 329 HB2 MET 56 HB2 MET 56 -8.568 -8.122 6.531 330 HB3 MET 56 HB3 MET 56 -9.024 -9.762 6.947 331 HG2 MET 56 HG2 MET 56 -7.256 -9.161 4.569 332 HG3 MET 56 HG3 MET 56 -6.618 -9.312 6.201 333 HE1 MET 56 HE1 MET 56 -6.136 -11.489 7.425 334 HE2 MET 56 HE2 MET 56 -7.891 -11.636 7.648 335 HE3 MET 56 HE3 MET 56 -6.952 -13.028 7.076 336 H GLN 57 H GLN 57 -10.653 -6.801 6.083 337 HA GLN 57 HA GLN 57 -12.681 -7.720 7.907 338 HB2 GLN 57 HB2 GLN 57 -12.026 -4.940 6.847 339 HB3 GLN 57 HB3 GLN 57 -13.230 -5.251 8.096 340 HG2 GLN 57 HG2 GLN 57 -10.251 -5.837 8.287 341 HG3 GLN 57 HG3 GLN 57 -11.110 -4.535 9.087 342 HE21 GLN 57 HE21 GLN 57 -9.493 -6.674 10.304 343 HE22 GLN 57 HE22 GLN 57 -10.599 -7.487 11.419 344 H ARG 58 H ARG 58 -12.911 -6.723 4.517 345 HA ARG 58 HA ARG 58 -15.860 -7.087 4.616 346 HB2 ARG 58 HB2 ARG 58 -13.772 -6.327 2.537 347 HB3 ARG 58 HB3 ARG 58 -15.326 -6.932 1.966 348 HG2 ARG 58 HG2 ARG 58 -16.542 -5.222 2.813 349 HG3 ARG 58 HG3 ARG 58 -15.367 -4.745 4.029 350 HD2 ARG 58 HD2 ARG 58 -13.894 -3.750 2.388 351 HD3 ARG 58 HD3 ARG 58 -14.799 -4.456 1.054 352 HE ARG 58 HE ARG 58 -16.153 -2.607 1.029 353 HH11 ARG 58 HH11 ARG 58 -14.787 -2.571 4.303 354 HH12 ARG 58 HH12 ARG 58 -15.553 -1.024 4.609 355 HH21 ARG 58 HH21 ARG 58 -17.089 -0.862 1.558 356 HH22 ARG 58 HH22 ARG 58 -16.933 -0.113 3.145 357 H ARG 59 H ARG 59 -13.139 -9.069 3.859 358 HA ARG 59 HA ARG 59 -14.663 -11.106 2.458 359 HB2 ARG 59 HB2 ARG 59 -12.346 -10.650 1.952 360 HB3 ARG 59 HB3 ARG 59 -11.839 -11.214 3.552 361 HG2 ARG 59 HG2 ARG 59 -12.386 -13.465 3.049 362 HG3 ARG 59 HG3 ARG 59 -13.391 -13.020 1.657 363 HD2 ARG 59 HD2 ARG 59 -11.427 -12.252 0.420 364 HD3 ARG 59 HD3 ARG 59 -10.374 -12.631 1.800 365 HE ARG 59 HE ARG 59 -11.715 -15.028 1.181 366 HH11 ARG 59 HH11 ARG 59 -9.506 -12.914 -0.661 367 HH12 ARG 59 HH12 ARG 59 -8.836 -14.283 -1.473 368 HH21 ARG 59 HH21 ARG 59 -10.784 -16.659 0.016 369 HH22 ARG 59 HH22 ARG 59 -9.427 -16.329 -1.026 370 H LYS 60 H LYS 60 -13.875 -10.783 5.865 371 HA LYS 60 HA LYS 60 -14.556 -13.362 6.760 372 HB2 LYS 60 HB2 LYS 60 -14.954 -12.367 8.910 373 HB3 LYS 60 HB3 LYS 60 -13.573 -11.584 8.128 374 HG2 LYS 60 HG2 LYS 60 -15.094 -9.710 7.423 375 HG3 LYS 60 HG3 LYS 60 -16.408 -10.474 8.347 376 HD2 LYS 60 HD2 LYS 60 -15.012 -10.334 10.388 377 HD3 LYS 60 HD3 LYS 60 -13.756 -9.494 9.450 378 HE2 LYS 60 HE2 LYS 60 -15.360 -7.666 8.939 379 HE3 LYS 60 HE3 LYS 60 -16.620 -8.513 9.846 380 HZ1 LYS 60 HZ1 LYS 60 -14.068 -7.510 10.985 381 HZ2 LYS 60 HZ2 LYS 60 -15.184 -8.366 11.833 382 HZ3 LYS 60 HZ3 LYS 60 -15.531 -6.851 11.268 383 H ASN 61 H ASN 61 -16.915 -10.964 5.621 384 HA ASN 61 HA ASN 61 -19.041 -12.982 6.191 385 HB2 ASN 61 HB2 ASN 61 -19.134 -10.011 5.609 386 HB3 ASN 61 HB3 ASN 61 -20.557 -11.026 5.501 387 HD21 ASN 61 HD21 ASN 61 -18.507 -9.343 7.647 388 HD22 ASN 61 HD22 ASN 61 -19.161 -9.989 9.154 389 H GLY 62 H GLY 62 -17.002 -12.622 3.636 390 HA2 GLY 62 HA2 GLY 62 -17.031 -13.559 1.548 391 HA3 GLY 62 HA3 GLY 62 -18.429 -14.467 2.108 392 H VAL 63 H VAL 63 -18.828 -11.068 1.945 393 HA VAL 63 HA VAL 63 -21.253 -11.697 0.538 394 HB VAL 63 HB VAL 63 -21.308 -10.664 2.659 395 HG11 VAL 63 HG11 VAL 63 -19.918 -8.212 1.555 396 HG12 VAL 63 HG12 VAL 63 -20.566 -8.421 3.182 397 HG13 VAL 63 HG13 VAL 63 -19.185 -9.388 2.679 398 HG21 VAL 63 HG21 VAL 63 -22.801 -8.807 2.324 399 HG22 VAL 63 HG22 VAL 63 -22.244 -8.568 0.668 400 HG23 VAL 63 HG23 VAL 63 -23.134 -10.051 1.106 401 H LYS 64 H LYS 64 -18.554 -9.600 -0.368 402 HA LYS 64 HA LYS 64 -20.029 -8.590 -2.773 403 HB2 LYS 64 HB2 LYS 64 -19.499 -6.337 -2.093 404 HB3 LYS 64 HB3 LYS 64 -20.256 -7.127 -0.734 405 HG2 LYS 64 HG2 LYS 64 -18.297 -7.104 0.560 406 HG3 LYS 64 HG3 LYS 64 -17.233 -7.100 -0.834 407 HD2 LYS 64 HD2 LYS 64 -17.147 -4.927 0.227 408 HD3 LYS 64 HD3 LYS 64 -17.847 -4.808 -1.378 409 HE2 LYS 64 HE2 LYS 64 -20.170 -4.995 -0.100 410 HE3 LYS 64 HE3 LYS 64 -19.221 -4.534 1.319 411 HZ1 LYS 64 HZ1 LYS 64 -20.135 -2.576 0.195 412 HZ2 LYS 64 HZ2 LYS 64 -19.419 -2.999 -1.223 413 HZ3 LYS 64 HZ3 LYS 64 -18.509 -2.543 0.038 414 HA PRO 65 HA PRO 65 -15.823 -8.465 -4.650 415 HB2 PRO 65 HB2 PRO 65 -15.687 -5.992 -5.799 416 HB3 PRO 65 HB3 PRO 65 -16.643 -7.340 -6.503 417 HG2 PRO 65 HG2 PRO 65 -17.681 -5.111 -4.719 418 HG3 PRO 65 HG3 PRO 65 -18.299 -5.608 -6.320 419 HD2 PRO 65 HD2 PRO 65 -19.437 -6.581 -4.097 420 HD3 PRO 65 HD3 PRO 65 -19.120 -7.674 -5.447 421 H PHE 66 H PHE 66 -14.282 -8.346 -3.120 422 HA PHE 66 HA PHE 66 -14.612 -6.751 -0.768 423 HB2 PHE 66 HB2 PHE 66 -12.207 -8.371 -1.677 424 HB3 PHE 66 HB3 PHE 66 -12.563 -7.846 -0.044 425 HD1 PHE 66 HD2 PHE 66 -15.358 -8.557 0.416 426 HD2 PHE 66 HD1 PHE 66 -12.368 -10.672 -1.850 427 HE1 PHE 66 HE2 PHE 66 -16.591 -10.664 0.775 428 HE2 PHE 66 HE1 PHE 66 -13.593 -12.802 -1.467 429 HZ PHE 66 HZ PHE 66 -15.700 -12.804 -0.152 430 H MET 67 H MET 67 -12.202 -6.595 -3.382 431 HA MET 67 HA MET 67 -10.746 -4.380 -2.455 432 HB2 MET 67 HB2 MET 67 -11.239 -5.599 -5.149 433 HB3 MET 67 HB3 MET 67 -10.621 -3.946 -5.129 434 HG2 MET 67 HG2 MET 67 -9.347 -6.258 -3.637 435 HG3 MET 67 HG3 MET 67 -8.801 -5.616 -5.193 436 HE1 MET 67 HE1 MET 67 -7.067 -6.024 -2.584 437 HE2 MET 67 HE2 MET 67 -6.298 -5.312 -4.021 438 HE3 MET 67 HE3 MET 67 -6.113 -4.527 -2.438 439 HA PRO 68 HA PRO 68 -14.179 -1.744 -2.132 440 HB2 PRO 68 HB2 PRO 68 -12.982 0.625 -1.291 441 HB3 PRO 68 HB3 PRO 68 -13.253 -0.823 -0.271 442 HG2 PRO 68 HG2 PRO 68 -10.746 -0.010 -1.768 443 HG3 PRO 68 HG3 PRO 68 -10.903 -0.602 -0.080 444 HD2 PRO 68 HD2 PRO 68 -10.171 -2.276 -2.076 445 HD3 PRO 68 HD3 PRO 68 -11.277 -2.820 -0.779 446 H THR 69 H THR 69 -15.443 -0.518 -3.312 447 HA THR 69 HA THR 69 -14.582 0.663 -5.815 448 HB THR 69 HB THR 69 -16.936 1.319 -6.060 449 HG1 THR 69 HG1 THR 69 -17.246 0.127 -3.497 450 HG21 THR 69 HG21 THR 69 -16.728 -1.558 -5.057 451 HG22 THR 69 HG22 THR 69 -16.334 -1.002 -6.694 452 HG23 THR 69 HG23 THR 69 -17.996 -0.880 -6.095 453 H ALA 70 H ALA 70 -15.255 2.910 -6.356 454 HA ALA 70 HA ALA 70 -13.395 4.508 -5.059 455 HB1 ALA 70 HB1 ALA 70 -15.719 5.454 -6.788 456 HB2 ALA 70 HB2 ALA 70 -14.196 6.307 -6.501 457 HB3 ALA 70 HB3 ALA 70 -14.185 4.784 -7.394 458 H ALA 71 H ALA 71 -16.921 4.522 -4.428 459 HA ALA 71 HA ALA 71 -16.857 6.718 -2.560 460 HB1 ALA 71 HB1 ALA 71 -18.851 4.436 -2.909 461 HB2 ALA 71 HB2 ALA 71 -19.140 5.952 -2.033 462 HB3 ALA 71 HB3 ALA 71 -18.872 5.986 -3.784 463 H GLU 72 H GLU 72 -16.367 3.196 -2.117 464 HA GLU 72 HA GLU 72 -16.436 3.196 0.776 465 HB2 GLU 72 HB2 GLU 72 -15.182 1.258 -1.211 466 HB3 GLU 72 HB3 GLU 72 -15.412 0.972 0.512 467 HG2 GLU 72 HG2 GLU 72 -17.837 1.023 0.223 468 HG3 GLU 72 HG3 GLU 72 -17.672 1.450 -1.480 469 H ARG 73 H ARG 73 -13.882 3.069 -1.753 470 HA ARG 73 HA ARG 73 -11.599 3.370 -0.134 471 HB2 ARG 73 HB2 ARG 73 -11.764 2.891 -2.646 472 HB3 ARG 73 HB3 ARG 73 -12.054 4.619 -2.884 473 HG2 ARG 73 HG2 ARG 73 -9.812 5.046 -1.734 474 HG3 ARG 73 HG3 ARG 73 -9.563 3.288 -1.744 475 HD2 ARG 73 HD2 ARG 73 -9.811 3.303 -4.234 476 HD3 ARG 73 HD3 ARG 73 -9.997 5.057 -4.187 477 HE ARG 73 HE ARG 73 -7.705 5.318 -3.596 478 HH11 ARG 73 HH11 ARG 73 -8.393 1.848 -4.101 479 HH12 ARG 73 HH12 ARG 73 -6.671 1.551 -4.227 480 HH21 ARG 73 HH21 ARG 73 -5.618 4.715 -3.705 481 HH22 ARG 73 HH22 ARG 73 -5.214 3.033 -4.038 482 H ASP 74 H ASP 74 -13.687 5.930 -1.472 483 HA ASP 74 HA ASP 74 -12.270 8.143 -0.425 484 HB2 ASP 74 HB2 ASP 74 -14.017 8.332 -2.143 485 HB3 ASP 74 HB3 ASP 74 -15.249 7.790 -1.010 486 H GLU 75 H GLU 75 -15.199 6.512 1.058 487 HA GLU 75 HA GLU 75 -15.059 8.214 3.367 488 HB2 GLU 75 HB2 GLU 75 -16.722 6.888 4.356 489 HB3 GLU 75 HB3 GLU 75 -17.125 7.123 2.668 490 HG2 GLU 75 HG2 GLU 75 -16.444 4.813 2.168 491 HG3 GLU 75 HG3 GLU 75 -15.902 4.561 3.817 492 H ILE 76 H ILE 76 -13.525 5.127 2.647 493 HA ILE 76 HA ILE 76 -12.584 4.589 5.322 494 HB ILE 76 HB ILE 76 -11.780 3.606 2.568 495 HG12 ILE 76 HG12 ILE 76 -13.133 2.052 4.819 496 HG13 ILE 76 HG13 ILE 76 -14.083 3.055 3.744 497 HG21 ILE 76 HG21 ILE 76 -10.760 2.710 5.297 498 HG22 ILE 76 HG22 ILE 76 -10.512 1.814 3.780 499 HG23 ILE 76 HG23 ILE 76 -9.811 3.426 3.977 500 HD11 ILE 76 HD11 ILE 76 -14.234 0.886 2.875 501 HD12 ILE 76 HD12 ILE 76 -13.184 1.752 1.766 502 HD13 ILE 76 HD13 ILE 76 -12.472 0.628 2.947 503 H LEU 77 H LEU 77 -10.942 6.179 2.489 504 HA LEU 77 HA LEU 77 -8.586 6.933 3.966 505 HB2 LEU 77 HB2 LEU 77 -10.025 7.997 1.529 506 HB3 LEU 77 HB3 LEU 77 -8.603 8.822 2.135 507 HG LEU 77 HG LEU 77 -8.619 5.864 1.417 508 HD11 LEU 77 HD11 LEU 77 -7.745 8.268 -0.216 509 HD12 LEU 77 HD12 LEU 77 -9.203 7.289 -0.491 510 HD13 LEU 77 HD13 LEU 77 -7.591 6.560 -0.701 511 HD21 LEU 77 HD21 LEU 77 -6.325 7.841 1.844 512 HD22 LEU 77 HD22 LEU 77 -6.130 6.165 1.280 513 HD23 LEU 77 HD23 LEU 77 -6.744 6.486 2.908 514 H ARG 78 H ARG 78 -11.752 8.437 3.688 515 HA ARG 78 HA ARG 78 -11.096 10.792 5.258 516 HB2 ARG 78 HB2 ARG 78 -13.713 9.527 4.440 517 HB3 ARG 78 HB3 ARG 78 -13.660 10.952 5.475 518 HG2 ARG 78 HG2 ARG 78 -12.721 12.321 3.806 519 HG3 ARG 78 HG3 ARG 78 -12.150 10.955 2.854 520 HD2 ARG 78 HD2 ARG 78 -14.044 11.992 1.741 521 HD3 ARG 78 HD3 ARG 78 -14.404 10.338 2.228 522 HE ARG 78 HE ARG 78 -15.286 12.489 4.076 523 HH11 ARG 78 HH11 ARG 78 -16.284 10.320 1.487 524 HH12 ARG 78 HH12 ARG 78 -17.934 10.277 2.028 525 HH21 ARG 78 HH21 ARG 78 -17.477 12.748 4.381 526 HH22 ARG 78 HH22 ARG 78 -18.600 11.654 3.594 527 H ALA 79 H ALA 79 -12.056 7.540 6.205 528 HA ALA 79 HA ALA 79 -12.233 8.227 9.044 529 HB1 ALA 79 HB1 ALA 79 -12.064 5.537 7.631 530 HB2 ALA 79 HB2 ALA 79 -12.521 5.816 9.324 531 HB3 ALA 79 HB3 ALA 79 -13.557 6.417 8.013 532 H VAL 80 H VAL 80 -9.583 7.118 6.898 533 HA VAL 80 HA VAL 80 -7.641 6.730 9.033 534 HB VAL 80 HB VAL 80 -7.260 7.508 6.115 535 HG11 VAL 80 HG11 VAL 80 -4.960 6.724 6.405 536 HG12 VAL 80 HG12 VAL 80 -5.255 8.090 7.471 537 HG13 VAL 80 HG13 VAL 80 -5.247 6.444 8.134 538 HG21 VAL 80 HG21 VAL 80 -6.654 5.159 5.789 539 HG22 VAL 80 HG22 VAL 80 -6.961 4.814 7.509 540 HG23 VAL 80 HG23 VAL 80 -8.293 5.256 6.431 541 H GLY 81 H GLY 81 -8.693 9.459 7.033 542 HA2 GLY 81 HA2 GLY 81 -8.758 11.727 7.501 543 HA3 GLY 81 HA3 GLY 81 -7.956 11.447 9.050 544 H ASN 82 H ASN 82 -6.182 9.857 6.755 545 HA ASN 82 HA ASN 82 -4.643 12.033 5.589 546 HB2 ASN 82 HB2 ASN 82 -3.791 11.686 8.029 547 HB3 ASN 82 HB3 ASN 82 -3.172 10.137 7.472 548 HD21 ASN 82 HD21 ASN 82 -1.185 10.156 6.359 549 HD22 ASN 82 HD22 ASN 82 -0.382 11.623 5.826 550 H MET 83 H MET 83 -2.531 10.757 4.547 551 HA MET 83 HA MET 83 -3.340 8.416 3.018 552 HB2 MET 83 HB2 MET 83 -1.519 10.196 2.449 553 HB3 MET 83 HB3 MET 83 -0.542 9.395 3.670 554 HG2 MET 83 HG2 MET 83 0.212 8.310 1.835 555 HG3 MET 83 HG3 MET 83 -1.106 7.218 2.206 556 HE1 MET 83 HE1 MET 83 -3.621 7.773 -0.643 557 HE2 MET 83 HE2 MET 83 -3.125 6.863 0.799 558 HE3 MET 83 HE3 MET 83 -3.801 8.506 0.962 559 HA PRO 84 HA PRO 84 -2.501 5.846 6.666 560 HB2 PRO 84 HB2 PRO 84 -2.958 3.349 5.571 561 HB3 PRO 84 HB3 PRO 84 -4.229 4.472 6.109 562 HG2 PRO 84 HG2 PRO 84 -3.332 3.868 3.309 563 HG3 PRO 84 HG3 PRO 84 -4.947 4.321 3.909 564 HD2 PRO 84 HD2 PRO 84 -3.103 6.044 2.680 565 HD3 PRO 84 HD3 PRO 84 -4.503 6.567 3.658 566 H TYR 85 H TYR 85 -0.625 6.154 3.952 567 HA TYR 85 HA TYR 85 1.690 4.761 5.194 568 HB2 TYR 85 HB2 TYR 85 2.365 4.022 2.865 569 HB3 TYR 85 HB3 TYR 85 0.995 3.209 3.586 570 HD1 TYR 85 HD2 TYR 85 -1.251 3.471 2.748 571 HD2 TYR 85 HD1 TYR 85 2.029 5.578 0.936 572 HE1 TYR 85 HE2 TYR 85 -2.701 4.009 0.786 573 HE2 TYR 85 HE1 TYR 85 0.620 6.049 -1.059 574 HH TYR 85 HH TYR 85 -1.419 5.788 -2.058 Start of MODEL 16 1 H ASN 14 H1 ASN 14 -4.936 -0.120 -3.593 2 HA ASN 14 HA ASN 14 -3.524 -1.551 -4.875 3 HB2 ASN 14 HB2 ASN 14 -2.547 1.347 -4.887 4 HB3 ASN 14 HB3 ASN 14 -2.364 0.202 -6.196 5 HD21 ASN 14 HD21 ASN 14 -3.467 2.217 -7.226 6 HD22 ASN 14 HD22 ASN 14 -5.237 2.134 -7.286 7 HA PRO 15 HA PRO 15 0.910 -1.971 -3.522 8 HB2 PRO 15 HB2 PRO 15 2.116 -2.216 -5.969 9 HB3 PRO 15 HB3 PRO 15 1.237 -3.569 -5.193 10 HG2 PRO 15 HG2 PRO 15 0.177 -1.601 -7.264 11 HG3 PRO 15 HG3 PRO 15 0.108 -3.395 -7.312 12 HD2 PRO 15 HD2 PRO 15 -1.968 -1.928 -6.438 13 HD3 PRO 15 HD3 PRO 15 -1.542 -3.451 -5.610 14 H CYS 16 H CYS 16 2.885 -0.620 -3.963 15 HA CYS 16 HA CYS 16 2.010 2.194 -4.457 16 HB2 CYS 16 2HB CYS 16 3.431 0.813 -2.279 17 HB3 CYS 16 3HB CYS 16 4.126 2.368 -2.740 18 H LEU 17 H LEU 17 2.478 2.285 -6.620 19 HA LEU 17 HA LEU 17 5.019 1.478 -7.701 20 HB2 LEU 17 HB2 LEU 17 2.609 2.938 -8.800 21 HB3 LEU 17 HB3 LEU 17 4.089 2.773 -9.734 22 HG LEU 17 HG LEU 17 3.983 0.336 -9.632 23 HD11 LEU 17 HD11 LEU 17 1.893 -0.798 -8.897 24 HD12 LEU 17 HD12 LEU 17 1.357 0.717 -8.139 25 HD13 LEU 17 HD13 LEU 17 2.816 -0.132 -7.558 26 HD21 LEU 17 HD21 LEU 17 1.375 1.596 -10.564 27 HD22 LEU 17 HD22 LEU 17 2.059 0.052 -11.121 28 HD23 LEU 17 HD23 LEU 17 2.902 1.570 -11.472 29 H SER 18 H SER 18 3.904 4.622 -6.473 30 HA SER 18 HA SER 18 5.942 6.244 -7.716 31 HB2 SER 18 HB2 SER 18 4.691 6.647 -5.000 32 HB3 SER 18 HB3 SER 18 5.392 7.898 -6.033 33 HG SER 18 HG SER 18 3.020 7.634 -5.887 34 H GLU 19 H GLU 19 5.709 4.645 -4.516 35 HA GLU 19 HA GLU 19 8.409 5.347 -3.716 36 HB2 GLU 19 HB2 GLU 19 6.278 4.687 -2.278 37 HB3 GLU 19 HB3 GLU 19 6.849 3.050 -2.532 38 HG2 GLU 19 HG2 GLU 19 7.733 3.756 -0.458 39 HG3 GLU 19 HG3 GLU 19 9.095 3.776 -1.567 40 H SER 20 H SER 20 6.926 2.607 -5.403 41 HA SER 20 HA SER 20 9.235 0.858 -5.454 42 HB2 SER 20 HB2 SER 20 6.901 0.252 -6.166 43 HB3 SER 20 HB3 SER 20 7.141 1.228 -7.623 44 HG SER 20 HG SER 20 7.513 -0.933 -8.000 45 H ASP 21 H ASP 21 8.236 3.524 -7.623 46 HA ASP 21 HA ASP 21 10.528 3.433 -9.337 47 HB2 ASP 21 HB2 ASP 21 8.348 4.282 -9.979 48 HB3 ASP 21 HB3 ASP 21 8.410 5.529 -8.735 49 H ALA 22 H ALA 22 9.865 5.296 -6.351 50 HA ALA 22 HA ALA 22 12.376 6.756 -6.435 51 HB1 ALA 22 HB1 ALA 22 11.785 7.375 -4.145 52 HB2 ALA 22 HB2 ALA 22 10.343 7.476 -5.164 53 HB3 ALA 22 HB3 ALA 22 10.561 6.092 -4.068 54 H SER 23 H SER 23 11.447 3.534 -5.226 55 HA SER 23 HA SER 23 13.991 2.880 -4.049 56 HB2 SER 23 HB2 SER 23 11.800 1.601 -3.802 57 HB3 SER 23 HB3 SER 23 12.133 0.896 -5.393 58 HG SER 23 HG SER 23 12.986 -0.372 -3.674 59 H THR 24 H THR 24 12.709 2.341 -7.434 60 HA THR 24 HA THR 24 15.072 1.412 -8.647 61 HB THR 24 HB THR 24 13.411 3.633 -9.905 62 HG1 THR 24 HG1 THR 24 11.992 2.145 -10.579 63 HG21 THR 24 HG21 THR 24 15.369 2.927 -11.203 64 HG22 THR 24 HG22 THR 24 13.865 2.444 -11.997 65 HG23 THR 24 HG23 THR 24 14.827 1.234 -11.120 66 H ARG 25 H ARG 25 14.164 4.786 -7.888 67 HA ARG 25 HA ARG 25 16.540 5.999 -8.813 68 HB2 ARG 25 HB2 ARG 25 14.210 6.990 -7.995 69 HB3 ARG 25 HB3 ARG 25 15.014 7.125 -6.443 70 HG2 ARG 25 HG2 ARG 25 15.124 9.214 -7.628 71 HG3 ARG 25 HG3 ARG 25 16.756 8.571 -7.433 72 HD2 ARG 25 HD2 ARG 25 15.220 7.861 -9.926 73 HD3 ARG 25 HD3 ARG 25 15.778 9.539 -9.788 74 HE ARG 25 HE ARG 25 17.348 7.266 -10.505 75 HH11 ARG 25 HH11 ARG 25 17.800 10.426 -8.956 76 HH12 ARG 25 HH12 ARG 25 19.544 10.225 -9.046 77 HH21 ARG 25 HH21 ARG 25 19.568 7.276 -10.660 78 HH22 ARG 25 HH22 ARG 25 20.441 8.623 -9.967 79 H CYS 26 H CYS 26 15.837 4.959 -5.449 80 HA CYS 26 HA CYS 26 18.369 5.622 -4.332 81 HB2 CYS 26 2HB CYS 26 16.614 4.902 -2.854 82 HB3 CYS 26 3HB CYS 26 16.456 3.343 -3.676 83 H LEU 27 H LEU 27 17.383 2.630 -6.017 84 HA LEU 27 HA LEU 27 19.899 1.298 -5.607 85 HB2 LEU 27 HB2 LEU 27 17.362 0.863 -7.201 86 HB3 LEU 27 HB3 LEU 27 18.752 -0.192 -7.471 87 HG LEU 27 HG LEU 27 18.838 -0.964 -5.394 88 HD11 LEU 27 HD11 LEU 27 17.550 -0.499 -3.396 89 HD12 LEU 27 HD12 LEU 27 16.861 0.944 -4.169 90 HD13 LEU 27 HD13 LEU 27 18.609 0.830 -3.827 91 HD21 LEU 27 HD21 LEU 27 16.646 -2.037 -5.060 92 HD22 LEU 27 HD22 LEU 27 16.771 -1.644 -6.793 93 HD23 LEU 27 HD23 LEU 27 15.819 -0.615 -5.732 94 H ASP 28 H ASP 28 18.689 3.189 -8.223 95 HA ASP 28 HA ASP 28 21.086 2.977 -9.918 96 HB2 ASP 28 HB2 ASP 28 18.829 3.529 -10.817 97 HB3 ASP 28 HB3 ASP 28 18.908 5.088 -9.991 98 H GLU 29 H GLU 29 20.182 5.139 -7.218 99 HA GLU 29 HA GLU 29 22.445 6.902 -7.473 100 HB2 GLU 29 HB2 GLU 29 20.269 6.348 -5.553 101 HB3 GLU 29 HB3 GLU 29 21.741 6.773 -4.745 102 HG2 GLU 29 HG2 GLU 29 20.431 8.354 -7.027 103 HG3 GLU 29 HG3 GLU 29 20.153 8.664 -5.322 104 H ASN 30 H ASN 30 21.972 4.026 -5.330 105 HA ASN 30 HA ASN 30 24.931 3.919 -4.939 106 HB2 ASN 30 HB2 ASN 30 24.275 3.023 -2.657 107 HB3 ASN 30 HB3 ASN 30 24.029 4.741 -2.955 108 HD21 ASN 30 HD21 ASN 30 22.141 1.775 -3.506 109 HD22 ASN 30 HD22 ASN 30 20.598 2.535 -3.093 110 H ASN 31 H ASN 31 24.779 2.545 -6.932 111 HA ASN 31 HA ASN 31 24.937 0.451 -7.913 112 HB2 ASN 31 HB2 ASN 31 26.578 0.126 -5.393 113 HB3 ASN 31 HB3 ASN 31 26.860 -0.653 -6.946 114 HD21 ASN 31 HD21 ASN 31 27.514 0.803 -8.814 115 HD22 ASN 31 HD22 ASN 31 28.366 2.268 -8.384 116 H TYR 32 H TYR 32 22.455 0.276 -6.909 117 HA TYR 32 HA TYR 32 20.814 -1.051 -6.306 118 HB2 TYR 32 HB2 TYR 32 22.177 -2.220 -8.273 119 HB3 TYR 32 HB3 TYR 32 22.243 -3.533 -7.128 120 HD1 TYR 32 HD1 TYR 32 19.547 -3.387 -5.827 121 HD2 TYR 32 HD2 TYR 32 20.681 -2.781 -9.932 122 HE1 TYR 32 HE1 TYR 32 17.295 -4.109 -6.553 123 HE2 TYR 32 HE2 TYR 32 18.429 -3.539 -10.666 124 HH TYR 32 HH TYR 32 16.382 -4.327 -10.012 125 H ASP 33 H ASP 33 22.098 -0.357 -4.011 126 HA ASP 33 HA ASP 33 22.294 -2.659 -2.255 127 HB2 ASP 33 HB2 ASP 33 23.555 -0.452 -2.019 128 HB3 ASP 33 HB3 ASP 33 22.084 0.190 -1.287 129 H ARG 34 H ARG 34 20.243 -3.332 -3.222 130 HA ARG 34 HA ARG 34 17.675 -2.519 -2.205 131 HB2 ARG 34 HB2 ARG 34 16.864 -4.667 -2.996 132 HB3 ARG 34 HB3 ARG 34 17.955 -3.952 -4.175 133 HG2 ARG 34 HG2 ARG 34 19.792 -5.463 -3.373 134 HG3 ARG 34 HG3 ARG 34 18.656 -6.205 -2.230 135 HD2 ARG 34 HD2 ARG 34 17.208 -6.896 -4.123 136 HD3 ARG 34 HD3 ARG 34 18.324 -6.134 -5.256 137 HE ARG 34 HE ARG 34 20.051 -7.727 -4.656 138 HH11 ARG 34 HH11 ARG 34 16.855 -8.737 -3.492 139 HH12 ARG 34 HH12 ARG 34 17.282 -10.432 -3.725 140 HH21 ARG 34 HH21 ARG 34 20.444 -10.007 -4.694 141 HH22 ARG 34 HH22 ARG 34 19.100 -11.055 -4.250 142 H GLU 35 H GLU 35 20.133 -3.540 -0.326 143 HA GLU 35 HA GLU 35 18.405 -4.960 1.665 144 HB2 GLU 35 HB2 GLU 35 21.400 -4.824 1.307 145 HB3 GLU 35 HB3 GLU 35 20.635 -5.391 2.801 146 HG2 GLU 35 HG2 GLU 35 19.289 -7.017 1.338 147 HG3 GLU 35 HG3 GLU 35 20.387 -6.592 0.019 148 H ARG 36 H ARG 36 20.612 -2.103 1.370 149 HA ARG 36 HA ARG 36 19.681 -0.971 3.906 150 HB2 ARG 36 HB2 ARG 36 21.023 0.230 1.440 151 HB3 ARG 36 HB3 ARG 36 20.581 1.192 2.846 152 HG2 ARG 36 HG2 ARG 36 22.451 -1.215 2.969 153 HG3 ARG 36 HG3 ARG 36 22.979 0.466 2.805 154 HD2 ARG 36 HD2 ARG 36 21.902 1.047 4.941 155 HD3 ARG 36 HD3 ARG 36 21.331 -0.622 5.130 156 HE ARG 36 HE ARG 36 24.105 -0.796 4.784 157 HH11 ARG 36 HH11 ARG 36 21.877 0.502 7.240 158 HH12 ARG 36 HH12 ARG 36 23.103 0.264 8.487 159 HH21 ARG 36 HH21 ARG 36 25.468 -1.113 6.538 160 HH22 ARG 36 HH22 ARG 36 24.942 -0.557 8.138 161 H CYS 37 H CYS 37 18.801 -0.326 0.493 162 HA CYS 37 HA CYS 37 16.434 1.168 1.344 163 HB2 CYS 37 2HB CYS 37 17.711 0.550 -1.283 164 HB3 CYS 37 3HB CYS 37 16.022 1.073 -1.261 165 H SER 38 H SER 38 16.661 -1.730 2.113 166 HA SER 38 HA SER 38 14.343 -3.141 1.118 167 HB2 SER 38 HB2 SER 38 14.489 -4.309 3.300 168 HB3 SER 38 HB3 SER 38 16.034 -4.275 2.438 169 HG SER 38 HG SER 38 16.876 -3.090 3.962 170 H THR 39 H THR 39 14.815 -0.421 3.247 171 HA THR 39 HA THR 39 12.413 -0.108 4.655 172 HB THR 39 HB THR 39 12.966 2.369 4.396 173 HG1 THR 39 HG1 THR 39 15.194 2.566 3.461 174 HG21 THR 39 HG21 THR 39 15.362 0.606 5.031 175 HG22 THR 39 HG22 THR 39 14.008 0.891 6.153 176 HG23 THR 39 HG23 THR 39 15.037 2.244 5.648 177 H TYR 40 H TYR 40 13.152 0.854 1.318 178 HA TYR 40 HA TYR 40 10.605 2.030 0.691 179 HB2 TYR 40 HB2 TYR 40 12.660 0.696 -1.116 180 HB3 TYR 40 HB3 TYR 40 11.218 1.515 -1.686 181 HD1 TYR 40 HD1 TYR 40 14.178 2.182 0.547 182 HD2 TYR 40 HD2 TYR 40 11.374 3.730 -2.333 183 HE1 TYR 40 HE1 TYR 40 15.337 4.380 0.605 184 HE2 TYR 40 HE2 TYR 40 12.610 5.876 -2.382 185 HH TYR 40 HH TYR 40 14.500 6.959 -1.697 186 H PHE 41 H PHE 41 11.771 -1.310 0.281 187 HA PHE 41 HA PHE 41 9.303 -2.247 -0.917 188 HB2 PHE 41 HB2 PHE 41 11.630 -3.752 0.315 189 HB3 PHE 41 HB3 PHE 41 10.312 -4.488 -0.586 190 HD1 PHE 41 HD1 PHE 41 9.859 -3.682 -3.001 191 HD2 PHE 41 HD2 PHE 41 13.505 -2.810 -0.879 192 HE1 PHE 41 HE1 PHE 41 10.995 -3.162 -5.154 193 HE2 PHE 41 HE2 PHE 41 14.639 -2.296 -3.025 194 HZ PHE 41 HZ PHE 41 13.385 -2.473 -5.174 195 H LEU 42 H LEU 42 10.408 -1.966 2.419 196 HA LEU 42 HA LEU 42 8.036 -3.158 3.578 197 HB2 LEU 42 HB2 LEU 42 9.892 -2.975 5.024 198 HB3 LEU 42 HB3 LEU 42 10.227 -1.320 4.555 199 HG LEU 42 HG LEU 42 8.234 -0.522 5.788 200 HD11 LEU 42 HD11 LEU 42 6.837 -2.576 5.742 201 HD12 LEU 42 HD12 LEU 42 7.098 -1.984 7.379 202 HD13 LEU 42 HD13 LEU 42 8.017 -3.395 6.794 203 HD21 LEU 42 HD21 LEU 42 10.443 -0.561 6.855 204 HD22 LEU 42 HD22 LEU 42 10.152 -2.222 7.419 205 HD23 LEU 42 HD23 LEU 42 9.159 -0.881 8.031 206 H ARG 43 H ARG 43 8.777 0.312 2.837 207 HA ARG 43 HA ARG 43 6.171 1.323 3.462 208 HB2 ARG 43 HB2 ARG 43 8.082 2.188 1.288 209 HB3 ARG 43 HB3 ARG 43 6.684 3.117 1.842 210 HG2 ARG 43 HG2 ARG 43 7.650 3.550 3.974 211 HG3 ARG 43 HG3 ARG 43 8.886 2.319 3.764 212 HD2 ARG 43 HD2 ARG 43 9.594 3.750 1.647 213 HD3 ARG 43 HD3 ARG 43 8.607 5.020 2.369 214 HE ARG 43 HE ARG 43 10.469 4.119 4.335 215 HH11 ARG 43 HH11 ARG 43 10.569 5.835 1.237 216 HH12 ARG 43 HH12 ARG 43 12.050 6.663 1.690 217 HH21 ARG 43 HH21 ARG 43 12.332 5.112 4.751 218 HH22 ARG 43 HH22 ARG 43 13.087 6.202 3.598 219 H TYR 44 H TYR 44 7.257 -0.438 0.645 220 HA TYR 44 HA TYR 44 4.817 -0.057 -0.898 221 HB2 TYR 44 HB2 TYR 44 6.863 -0.551 -2.020 222 HB3 TYR 44 HB3 TYR 44 7.108 -2.028 -1.108 223 HD1 TYR 44 HD1 TYR 44 5.681 -4.040 -1.515 224 HD2 TYR 44 HD2 TYR 44 5.605 -0.551 -4.045 225 HE1 TYR 44 HE1 TYR 44 4.703 -5.397 -3.364 226 HE2 TYR 44 HE2 TYR 44 4.635 -1.915 -5.898 227 HH TYR 44 HH TYR 44 4.005 -4.021 -6.587 228 H LYS 45 H LYS 45 5.957 -2.756 1.232 229 HA LYS 45 HA LYS 45 3.433 -4.175 1.181 230 HB2 LYS 45 HB2 LYS 45 5.764 -4.114 3.130 231 HB3 LYS 45 HB3 LYS 45 4.284 -5.002 3.486 232 HG2 LYS 45 HG2 LYS 45 4.533 -6.221 1.281 233 HG3 LYS 45 HG3 LYS 45 6.133 -5.467 1.119 234 HD2 LYS 45 HD2 LYS 45 6.801 -6.461 3.295 235 HD3 LYS 45 HD3 LYS 45 5.191 -7.187 3.461 236 HE2 LYS 45 HE2 LYS 45 5.595 -8.458 1.330 237 HE3 LYS 45 HE3 LYS 45 7.244 -7.825 1.302 238 HZ1 LYS 45 HZ1 LYS 45 7.196 -9.991 2.335 239 HZ2 LYS 45 HZ2 LYS 45 6.070 -9.517 3.444 240 HZ3 LYS 45 HZ3 LYS 45 7.585 -8.882 3.487 241 H ASN 46 H ASN 46 4.423 -1.361 3.110 242 HA ASN 46 HA ASN 46 2.340 -1.512 5.049 243 HB2 ASN 46 HB2 ASN 46 3.824 0.914 3.948 244 HB3 ASN 46 HB3 ASN 46 2.778 0.951 5.349 245 HD21 ASN 46 HD21 ASN 46 5.454 1.734 5.363 246 HD22 ASN 46 HD22 ASN 46 6.348 0.637 6.408 247 H CYS 47 H CYS 47 2.283 -0.076 1.745 248 HA CYS 47 HA CYS 47 -0.340 0.989 1.892 249 HB2 CYS 47 2HB CYS 47 1.090 -0.240 -0.513 250 HB3 CYS 47 3HB CYS 47 -0.165 1.003 -0.537 251 H ARG 48 H ARG 48 0.775 -2.206 0.656 252 HA ARG 48 HA ARG 48 -1.822 -3.260 0.125 253 HB2 ARG 48 HB2 ARG 48 0.759 -4.702 0.770 254 HB3 ARG 48 HB3 ARG 48 -0.749 -5.447 0.200 255 HG2 ARG 48 HG2 ARG 48 -0.534 -3.435 -1.638 256 HG3 ARG 48 HG3 ARG 48 1.178 -3.657 -1.266 257 HD2 ARG 48 HD2 ARG 48 -0.790 -5.852 -2.094 258 HD3 ARG 48 HD3 ARG 48 0.283 -4.960 -3.161 259 HE ARG 48 HE ARG 48 1.313 -6.630 -0.858 260 HH11 ARG 48 HH11 ARG 48 1.413 -6.166 -4.372 261 HH12 ARG 48 HH12 ARG 48 2.878 -7.126 -4.445 262 HH21 ARG 48 HH21 ARG 48 3.036 -7.858 -1.161 263 HH22 ARG 48 HH22 ARG 48 3.758 -7.987 -2.781 264 H ARG 49 H ARG 49 0.140 -3.516 3.110 265 HA ARG 49 HA ARG 49 -1.466 -5.290 4.594 266 HB2 ARG 49 HB2 ARG 49 0.800 -4.527 5.234 267 HB3 ARG 49 HB3 ARG 49 0.187 -2.896 5.534 268 HG2 ARG 49 HG2 ARG 49 -1.232 -3.791 7.385 269 HG3 ARG 49 HG3 ARG 49 -0.568 -5.407 7.096 270 HD2 ARG 49 HD2 ARG 49 1.679 -4.616 7.627 271 HD3 ARG 49 HD3 ARG 49 1.097 -2.946 7.785 272 HE ARG 49 HE ARG 49 -0.449 -4.198 9.630 273 HH11 ARG 49 HH11 ARG 49 3.036 -4.238 9.158 274 HH12 ARG 49 HH12 ARG 49 3.352 -4.748 10.793 275 HH21 ARG 49 HH21 ARG 49 0.061 -4.503 11.817 276 HH22 ARG 49 HH22 ARG 49 1.723 -4.724 12.287 277 H PHE 50 H PHE 50 -1.902 -1.729 4.296 278 HA PHE 50 HA PHE 50 -4.061 -1.536 6.165 279 HB2 PHE 50 HB2 PHE 50 -2.855 0.412 5.269 280 HB3 PHE 50 HB3 PHE 50 -3.453 0.101 3.661 281 HD1 PHE 50 HD1 PHE 50 -4.615 0.920 7.147 282 HD2 PHE 50 HD2 PHE 50 -5.568 0.916 2.943 283 HE1 PHE 50 HE1 PHE 50 -6.725 2.141 7.617 284 HE2 PHE 50 HE2 PHE 50 -7.685 2.111 3.413 285 HZ PHE 50 HZ PHE 50 -8.281 2.705 5.757 286 H TRP 51 H TRP 51 -4.181 -1.653 2.615 287 HA TRP 51 HA TRP 51 -7.025 -1.952 2.505 288 HB2 TRP 51 HB2 TRP 51 -4.877 -2.470 0.430 289 HB3 TRP 51 HB3 TRP 51 -6.605 -2.490 0.099 290 HD1 TRP 51 HD1 TRP 51 -3.735 -0.117 0.261 291 HE1 TRP 51 HE1 TRP 51 -4.541 2.238 -0.260 292 HE3 TRP 51 HE3 TRP 51 -8.764 -0.762 1.064 293 HZ2 TRP 51 HZ2 TRP 51 -6.964 3.758 -0.004 294 HZ3 TRP 51 HZ3 TRP 51 -10.282 1.212 1.013 295 HH2 TRP 51 HH2 TRP 51 -9.394 3.469 0.485 296 H ASN 52 H ASN 52 -4.494 -4.486 2.447 297 HA ASN 52 HA ASN 52 -6.138 -6.774 2.189 298 HB2 ASN 52 HB2 ASN 52 -3.506 -6.161 3.616 299 HB3 ASN 52 HB3 ASN 52 -4.175 -7.755 3.547 300 HD21 ASN 52 HD21 ASN 52 -1.854 -7.857 2.587 301 HD22 ASN 52 HD22 ASN 52 -1.840 -7.876 0.828 302 H SER 53 H SER 53 -5.281 -4.819 5.114 303 HA SER 53 HA SER 53 -6.781 -6.481 6.924 304 HB2 SER 53 HB2 SER 53 -6.051 -3.550 7.257 305 HB3 SER 53 HB3 SER 53 -6.600 -4.662 8.518 306 HG SER 53 HG SER 53 -4.214 -4.724 6.986 307 H ILE 54 H ILE 54 -7.772 -3.550 5.014 308 HA ILE 54 HA ILE 54 -10.461 -3.466 6.034 309 HB ILE 54 HB ILE 54 -9.383 -2.690 3.296 310 HG12 ILE 54 HG12 ILE 54 -8.269 -1.409 5.041 311 HG13 ILE 54 HG13 ILE 54 -9.328 -0.404 4.100 312 HG21 ILE 54 HG21 ILE 54 -11.764 -2.923 3.070 313 HG22 ILE 54 HG22 ILE 54 -12.063 -2.045 4.581 314 HG23 ILE 54 HG23 ILE 54 -11.398 -1.202 3.167 315 HD11 ILE 54 HD11 ILE 54 -11.013 -0.437 5.946 316 HD12 ILE 54 HD12 ILE 54 -9.920 -1.472 6.900 317 HD13 ILE 54 HD13 ILE 54 -9.441 0.178 6.475 318 H VAL 55 H VAL 55 -9.059 -5.295 3.286 319 HA VAL 55 HA VAL 55 -11.445 -6.626 2.498 320 HB VAL 55 HB VAL 55 -8.510 -7.333 2.258 321 HG11 VAL 55 HG11 VAL 55 -9.169 -9.052 0.584 322 HG12 VAL 55 HG12 VAL 55 -9.602 -9.505 2.231 323 HG13 VAL 55 HG13 VAL 55 -10.854 -8.909 1.123 324 HG21 VAL 55 HG21 VAL 55 -10.649 -6.493 0.257 325 HG22 VAL 55 HG22 VAL 55 -9.430 -5.413 0.967 326 HG23 VAL 55 HG23 VAL 55 -8.926 -6.747 -0.069 327 H MET 56 H MET 56 -9.041 -7.650 5.008 328 HA MET 56 HA MET 56 -10.525 -9.989 5.776 329 HB2 MET 56 HB2 MET 56 -8.648 -8.186 7.338 330 HB3 MET 56 HB3 MET 56 -9.312 -9.673 7.996 331 HG2 MET 56 HG2 MET 56 -7.806 -9.737 5.366 332 HG3 MET 56 HG3 MET 56 -6.951 -9.609 6.892 333 HE1 MET 56 HE1 MET 56 -9.098 -13.409 5.377 334 HE2 MET 56 HE2 MET 56 -10.144 -12.060 5.832 335 HE3 MET 56 HE3 MET 56 -8.968 -11.868 4.500 336 H GLN 57 H GLN 57 -10.881 -6.611 6.811 337 HA GLN 57 HA GLN 57 -12.897 -7.251 8.840 338 HB2 GLN 57 HB2 GLN 57 -11.993 -4.579 7.692 339 HB3 GLN 57 HB3 GLN 57 -13.142 -4.766 9.012 340 HG2 GLN 57 HG2 GLN 57 -10.208 -5.567 9.068 341 HG3 GLN 57 HG3 GLN 57 -10.946 -4.215 9.902 342 HE21 GLN 57 HE21 GLN 57 -9.604 -7.054 10.601 343 HE22 GLN 57 HE22 GLN 57 -10.670 -7.669 11.846 344 H ARG 58 H ARG 58 -13.048 -6.743 5.431 345 HA ARG 58 HA ARG 58 -16.031 -6.684 5.486 346 HB2 ARG 58 HB2 ARG 58 -13.966 -6.746 3.249 347 HB3 ARG 58 HB3 ARG 58 -15.721 -6.796 2.988 348 HG2 ARG 58 HG2 ARG 58 -16.036 -4.656 4.041 349 HG3 ARG 58 HG3 ARG 58 -14.324 -4.534 4.486 350 HD2 ARG 58 HD2 ARG 58 -13.620 -4.265 2.243 351 HD3 ARG 58 HD3 ARG 58 -15.147 -4.914 1.605 352 HE ARG 58 HE ARG 58 -15.444 -2.476 3.192 353 HH11 ARG 58 HH11 ARG 58 -14.829 -3.531 -0.136 354 HH12 ARG 58 HH12 ARG 58 -16.014 -2.371 -0.752 355 HH21 ARG 58 HH21 ARG 58 -17.035 -1.245 2.252 356 HH22 ARG 58 HH22 ARG 58 -17.085 -1.099 0.505 357 H ARG 59 H ARG 59 -13.467 -8.963 4.738 358 HA ARG 59 HA ARG 59 -15.202 -10.963 3.625 359 HB2 ARG 59 HB2 ARG 59 -12.835 -10.811 3.083 360 HB3 ARG 59 HB3 ARG 59 -12.384 -11.272 4.731 361 HG2 ARG 59 HG2 ARG 59 -13.243 -13.478 4.442 362 HG3 ARG 59 HG3 ARG 59 -14.089 -13.057 2.947 363 HD2 ARG 59 HD2 ARG 59 -11.993 -12.792 1.748 364 HD3 ARG 59 HD3 ARG 59 -11.059 -13.034 3.239 365 HE ARG 59 HE ARG 59 -12.798 -15.282 2.783 366 HH11 ARG 59 HH11 ARG 59 -9.974 -13.967 1.141 367 HH12 ARG 59 HH12 ARG 59 -9.467 -15.558 0.641 368 HH21 ARG 59 HH21 ARG 59 -11.864 -17.281 2.372 369 HH22 ARG 59 HH22 ARG 59 -10.361 -17.339 1.496 370 H LYS 60 H LYS 60 -14.587 -10.225 6.928 371 HA LYS 60 HA LYS 60 -15.470 -12.526 8.251 372 HB2 LYS 60 HB2 LYS 60 -16.020 -11.102 10.067 373 HB3 LYS 60 HB3 LYS 60 -14.583 -10.436 9.288 374 HG2 LYS 60 HG2 LYS 60 -16.045 -8.707 8.204 375 HG3 LYS 60 HG3 LYS 60 -17.440 -9.428 9.049 376 HD2 LYS 60 HD2 LYS 60 -16.392 -9.032 11.218 377 HD3 LYS 60 HD3 LYS 60 -15.000 -8.272 10.409 378 HE2 LYS 60 HE2 LYS 60 -16.379 -6.461 9.589 379 HE3 LYS 60 HE3 LYS 60 -17.861 -7.258 10.132 380 HZ1 LYS 60 HZ1 LYS 60 -17.284 -6.886 12.375 381 HZ2 LYS 60 HZ2 LYS 60 -16.991 -5.460 11.626 382 HZ3 LYS 60 HZ3 LYS 60 -15.745 -6.472 12.054 383 H ASN 61 H ASN 61 -17.514 -10.329 6.370 384 HA ASN 61 HA ASN 61 -19.946 -11.723 7.306 385 HB2 ASN 61 HB2 ASN 61 -19.550 -9.242 5.661 386 HB3 ASN 61 HB3 ASN 61 -21.114 -9.963 6.028 387 HD21 ASN 61 HD21 ASN 61 -18.865 -7.818 7.094 388 HD22 ASN 61 HD22 ASN 61 -19.497 -7.591 8.726 389 H GLY 62 H GLY 62 -17.796 -11.881 4.612 390 HA2 GLY 62 HA2 GLY 62 -17.678 -13.311 2.840 391 HA3 GLY 62 HA3 GLY 62 -19.064 -14.157 3.516 392 H VAL 63 H VAL 63 -19.670 -10.874 2.644 393 HA VAL 63 HA VAL 63 -21.718 -11.993 0.816 394 HB VAL 63 HB VAL 63 -22.330 -11.339 3.053 395 HG11 VAL 63 HG11 VAL 63 -21.680 -8.464 2.275 396 HG12 VAL 63 HG12 VAL 63 -22.418 -9.009 3.779 397 HG13 VAL 63 HG13 VAL 63 -20.750 -9.447 3.430 398 HG21 VAL 63 HG21 VAL 63 -23.641 -9.479 1.043 399 HG22 VAL 63 HG22 VAL 63 -24.007 -11.210 1.238 400 HG23 VAL 63 HG23 VAL 63 -24.320 -10.083 2.566 401 H LYS 64 H LYS 64 -19.521 -9.233 0.882 402 HA LYS 64 HA LYS 64 -20.671 -8.099 -1.637 403 HB2 LYS 64 HB2 LYS 64 -19.723 -5.963 -0.777 404 HB3 LYS 64 HB3 LYS 64 -20.978 -6.628 0.262 405 HG2 LYS 64 HG2 LYS 64 -19.510 -7.097 1.994 406 HG3 LYS 64 HG3 LYS 64 -18.124 -7.316 0.932 407 HD2 LYS 64 HD2 LYS 64 -17.871 -5.316 2.299 408 HD3 LYS 64 HD3 LYS 64 -17.853 -4.983 0.577 409 HE2 LYS 64 HE2 LYS 64 -19.086 -3.252 1.789 410 HE3 LYS 64 HE3 LYS 64 -20.166 -4.104 0.682 411 HZ1 LYS 64 HZ1 LYS 64 -19.978 -4.855 3.546 412 HZ2 LYS 64 HZ2 LYS 64 -21.193 -5.203 2.515 413 HZ3 LYS 64 HZ3 LYS 64 -20.991 -3.662 3.036 414 HA PRO 65 HA PRO 65 -16.495 -8.508 -3.333 415 HB2 PRO 65 HB2 PRO 65 -16.086 -6.230 -4.780 416 HB3 PRO 65 HB3 PRO 65 -17.132 -7.574 -5.333 417 HG2 PRO 65 HG2 PRO 65 -17.949 -4.977 -4.022 418 HG3 PRO 65 HG3 PRO 65 -18.691 -5.791 -5.432 419 HD2 PRO 65 HD2 PRO 65 -19.681 -5.983 -2.902 420 HD3 PRO 65 HD3 PRO 65 -19.822 -7.318 -4.078 421 H PHE 66 H PHE 66 -14.956 -8.433 -1.877 422 HA PHE 66 HA PHE 66 -14.888 -6.573 0.234 423 HB2 PHE 66 HB2 PHE 66 -12.608 -8.408 -0.524 424 HB3 PHE 66 HB3 PHE 66 -13.000 -7.778 1.056 425 HD1 PHE 66 HD1 PHE 66 -15.878 -8.391 1.388 426 HD2 PHE 66 HD2 PHE 66 -12.780 -10.722 -0.501 427 HE1 PHE 66 HE1 PHE 66 -17.175 -10.448 1.806 428 HE2 PHE 66 HE2 PHE 66 -14.082 -12.786 -0.076 429 HZ PHE 66 HZ PHE 66 -16.279 -12.660 1.075 430 H MET 67 H MET 67 -12.442 -7.029 -2.365 431 HA MET 67 HA MET 67 -10.792 -4.838 -1.793 432 HB2 MET 67 HB2 MET 67 -11.393 -6.407 -4.296 433 HB3 MET 67 HB3 MET 67 -10.404 -4.952 -4.399 434 HG2 MET 67 HG2 MET 67 -9.803 -7.253 -2.519 435 HG3 MET 67 HG3 MET 67 -9.069 -7.023 -4.109 436 HE1 MET 67 HE1 MET 67 -6.172 -6.207 -1.540 437 HE2 MET 67 HE2 MET 67 -7.427 -7.466 -1.502 438 HE3 MET 67 HE3 MET 67 -6.576 -7.114 -3.015 439 HA PRO 68 HA PRO 68 -14.029 -1.927 -2.385 440 HB2 PRO 68 HB2 PRO 68 -12.742 0.446 -1.717 441 HB3 PRO 68 HB3 PRO 68 -13.364 -0.772 -0.569 442 HG2 PRO 68 HG2 PRO 68 -10.540 -0.423 -1.588 443 HG3 PRO 68 HG3 PRO 68 -11.103 -0.768 0.080 444 HD2 PRO 68 HD2 PRO 68 -10.160 -2.729 -1.555 445 HD3 PRO 68 HD3 PRO 68 -11.489 -3.020 -0.398 446 H THR 69 H THR 69 -14.939 -0.794 -3.875 447 HA THR 69 HA THR 69 -13.649 -0.119 -6.410 448 HB THR 69 HB THR 69 -15.927 0.332 -7.163 449 HG1 THR 69 HG1 THR 69 -16.697 -0.255 -4.495 450 HG21 THR 69 HG21 THR 69 -15.233 -2.092 -7.035 451 HG22 THR 69 HG22 THR 69 -16.981 -1.833 -6.918 452 HG23 THR 69 HG23 THR 69 -16.054 -2.210 -5.463 453 H ALA 70 H ALA 70 -14.360 2.072 -7.385 454 HA ALA 70 HA ALA 70 -12.618 3.827 -6.219 455 HB1 ALA 70 HB1 ALA 70 -13.304 3.891 -8.560 456 HB2 ALA 70 HB2 ALA 70 -14.912 4.495 -8.102 457 HB3 ALA 70 HB3 ALA 70 -13.470 5.500 -7.834 458 H ALA 71 H ALA 71 -16.204 4.133 -5.759 459 HA ALA 71 HA ALA 71 -15.931 6.548 -4.169 460 HB1 ALA 71 HB1 ALA 71 -18.278 4.624 -4.381 461 HB2 ALA 71 HB2 ALA 71 -18.320 6.306 -3.825 462 HB3 ALA 71 HB3 ALA 71 -17.941 5.950 -5.520 463 H GLU 72 H GLU 72 -15.732 3.117 -3.401 464 HA GLU 72 HA GLU 72 -16.182 3.382 -0.546 465 HB2 GLU 72 HB2 GLU 72 -14.894 1.146 -2.141 466 HB3 GLU 72 HB3 GLU 72 -15.410 1.077 -0.458 467 HG2 GLU 72 HG2 GLU 72 -17.750 1.397 -1.145 468 HG3 GLU 72 HG3 GLU 72 -17.272 1.532 -2.840 469 H ARG 73 H ARG 73 -13.349 2.914 -2.753 470 HA ARG 73 HA ARG 73 -11.277 3.385 -0.846 471 HB2 ARG 73 HB2 ARG 73 -11.493 3.914 -3.837 472 HB3 ARG 73 HB3 ARG 73 -10.062 4.389 -2.915 473 HG2 ARG 73 HG2 ARG 73 -9.702 2.072 -2.175 474 HG3 ARG 73 HG3 ARG 73 -11.160 1.556 -3.033 475 HD2 ARG 73 HD2 ARG 73 -9.111 1.015 -4.298 476 HD3 ARG 73 HD3 ARG 73 -10.195 2.090 -5.171 477 HE ARG 73 HE ARG 73 -8.595 3.742 -5.170 478 HH11 ARG 73 HH11 ARG 73 -7.341 1.227 -2.958 479 HH12 ARG 73 HH12 ARG 73 -5.929 2.214 -2.662 480 HH21 ARG 73 HH21 ARG 73 -6.597 4.677 -4.841 481 HH22 ARG 73 HH22 ARG 73 -5.488 3.923 -3.709 482 H ASP 74 H ASP 74 -13.259 5.786 -2.611 483 HA ASP 74 HA ASP 74 -11.857 8.079 -1.607 484 HB2 ASP 74 HB2 ASP 74 -13.401 8.222 -3.502 485 HB3 ASP 74 HB3 ASP 74 -14.756 7.728 -2.497 486 H GLU 75 H GLU 75 -14.941 6.581 -0.333 487 HA GLU 75 HA GLU 75 -14.932 8.345 1.917 488 HB2 GLU 75 HB2 GLU 75 -16.725 7.212 2.783 489 HB3 GLU 75 HB3 GLU 75 -16.968 7.254 1.055 490 HG2 GLU 75 HG2 GLU 75 -16.467 4.914 0.834 491 HG3 GLU 75 HG3 GLU 75 -15.900 4.780 2.494 492 H ILE 76 H ILE 76 -13.345 5.256 1.470 493 HA ILE 76 HA ILE 76 -12.725 4.860 4.277 494 HB ILE 76 HB ILE 76 -11.693 3.605 1.719 495 HG12 ILE 76 HG12 ILE 76 -13.353 2.298 3.916 496 HG13 ILE 76 HG13 ILE 76 -14.138 3.256 2.680 497 HG21 ILE 76 HG21 ILE 76 -10.693 1.861 3.274 498 HG22 ILE 76 HG22 ILE 76 -9.896 3.443 3.329 499 HG23 ILE 76 HG23 ILE 76 -11.017 2.970 4.622 500 HD11 ILE 76 HD11 ILE 76 -14.296 1.015 1.980 501 HD12 ILE 76 HD12 ILE 76 -13.143 1.782 0.900 502 HD13 ILE 76 HD13 ILE 76 -12.550 0.722 2.201 503 H LEU 77 H LEU 77 -10.796 6.181 1.499 504 HA LEU 77 HA LEU 77 -8.500 6.903 3.095 505 HB2 LEU 77 HB2 LEU 77 -9.709 7.862 0.493 506 HB3 LEU 77 HB3 LEU 77 -8.330 8.678 1.173 507 HG LEU 77 HG LEU 77 -8.353 5.683 0.586 508 HD11 LEU 77 HD11 LEU 77 -8.728 7.020 -1.421 509 HD12 LEU 77 HD12 LEU 77 -7.109 6.280 -1.456 510 HD13 LEU 77 HD13 LEU 77 -7.301 8.011 -1.057 511 HD21 LEU 77 HD21 LEU 77 -6.594 6.315 2.210 512 HD22 LEU 77 HD22 LEU 77 -6.048 7.610 1.135 513 HD23 LEU 77 HD23 LEU 77 -5.851 5.908 0.653 514 H ARG 78 H ARG 78 -11.564 8.521 2.466 515 HA ARG 78 HA ARG 78 -11.012 10.934 3.972 516 HB2 ARG 78 HB2 ARG 78 -13.530 9.535 3.077 517 HB3 ARG 78 HB3 ARG 78 -13.627 10.901 4.178 518 HG2 ARG 78 HG2 ARG 78 -12.758 12.424 2.629 519 HG3 ARG 78 HG3 ARG 78 -12.069 11.171 1.610 520 HD2 ARG 78 HD2 ARG 78 -14.131 12.261 0.650 521 HD3 ARG 78 HD3 ARG 78 -14.158 10.501 0.760 522 HE ARG 78 HE ARG 78 -15.465 12.130 2.896 523 HH11 ARG 78 HH11 ARG 78 -15.998 10.113 0.073 524 HH12 ARG 78 HH12 ARG 78 -17.617 9.727 0.592 525 HH21 ARG 78 HH21 ARG 78 -17.484 11.337 3.592 526 HH22 ARG 78 HH22 ARG 78 -18.356 10.241 2.570 527 H ALA 79 H ALA 79 -12.314 7.760 4.923 528 HA ALA 79 HA ALA 79 -12.866 8.491 7.651 529 HB1 ALA 79 HB1 ALA 79 -13.153 6.082 7.995 530 HB2 ALA 79 HB2 ALA 79 -13.956 6.595 6.502 531 HB3 ALA 79 HB3 ALA 79 -12.400 5.739 6.429 532 H VAL 80 H VAL 80 -9.897 7.290 6.069 533 HA VAL 80 HA VAL 80 -8.376 7.150 8.582 534 HB VAL 80 HB VAL 80 -7.450 7.388 5.686 535 HG11 VAL 80 HG11 VAL 80 -5.296 6.518 6.523 536 HG12 VAL 80 HG12 VAL 80 -5.664 8.074 7.258 537 HG13 VAL 80 HG13 VAL 80 -5.908 6.582 8.192 538 HG21 VAL 80 HG21 VAL 80 -8.695 5.283 6.107 539 HG22 VAL 80 HG22 VAL 80 -6.975 4.979 5.862 540 HG23 VAL 80 HG23 VAL 80 -7.661 4.946 7.505 541 H GLY 81 H GLY 81 -8.871 9.544 5.982 542 HA2 GLY 81 HA2 GLY 81 -8.941 11.865 6.121 543 HA3 GLY 81 HA3 GLY 81 -8.433 11.787 7.815 544 H ASN 82 H ASN 82 -6.397 9.852 6.056 545 HA ASN 82 HA ASN 82 -4.438 11.811 5.172 546 HB2 ASN 82 HB2 ASN 82 -4.209 11.718 7.707 547 HB3 ASN 82 HB3 ASN 82 -3.922 9.986 7.579 548 HD21 ASN 82 HD21 ASN 82 -1.924 10.389 8.700 549 HD22 ASN 82 HD22 ASN 82 -0.546 11.038 7.797 550 H MET 83 H MET 83 -2.355 10.456 4.606 551 HA MET 83 HA MET 83 -3.027 8.231 2.908 552 HB2 MET 83 HB2 MET 83 -1.112 10.039 2.760 553 HB3 MET 83 HB3 MET 83 -0.259 8.992 3.878 554 HG2 MET 83 HG2 MET 83 0.506 8.248 1.833 555 HG3 MET 83 HG3 MET 83 -0.799 7.105 2.074 556 HE1 MET 83 HE1 MET 83 -3.171 7.784 -0.822 557 HE2 MET 83 HE2 MET 83 -2.592 6.711 0.469 558 HE3 MET 83 HE3 MET 83 -3.523 8.175 0.873 559 HA PRO 84 HA PRO 84 -2.524 5.308 6.366 560 HB2 PRO 84 HB2 PRO 84 -3.140 2.974 5.096 561 HB3 PRO 84 HB3 PRO 84 -4.358 4.195 5.571 562 HG2 PRO 84 HG2 PRO 84 -3.192 3.661 2.845 563 HG3 PRO 84 HG3 PRO 84 -4.860 4.116 3.288 564 HD2 PRO 84 HD2 PRO 84 -2.896 5.895 2.382 565 HD3 PRO 84 HD3 PRO 84 -4.340 6.379 3.313 566 H TYR 85 H TYR 85 -0.498 5.835 3.868 567 HA TYR 85 HA TYR 85 1.680 4.201 5.051 568 HB2 TYR 85 HB2 TYR 85 2.403 3.590 2.699 569 HB3 TYR 85 HB3 TYR 85 0.965 2.805 3.307 570 HD1 TYR 85 HD2 TYR 85 2.142 5.520 1.041 571 HD2 TYR 85 HD1 TYR 85 -1.152 3.048 2.249 572 HE1 TYR 85 HE2 TYR 85 0.933 6.118 -1.053 573 HE2 TYR 85 HE1 TYR 85 -2.418 3.719 0.208 574 HH TYR 85 HH TYR 85 -2.209 4.648 -1.880 Start of MODEL 17 1 H ASN 14 H1 ASN 14 -3.107 -2.980 -2.247 2 HA ASN 14 HA ASN 14 -2.525 -3.523 -4.489 3 HB2 ASN 14 HB2 ASN 14 -1.918 -0.528 -4.720 4 HB3 ASN 14 HB3 ASN 14 -1.479 -1.751 -5.904 5 HD21 ASN 14 HD21 ASN 14 -2.738 -0.182 -7.338 6 HD22 ASN 14 HD22 ASN 14 -4.485 -0.452 -7.402 7 HA PRO 15 HA PRO 15 1.853 -3.367 -3.004 8 HB2 PRO 15 HB2 PRO 15 3.085 -3.827 -5.416 9 HB3 PRO 15 HB3 PRO 15 2.402 -5.145 -4.415 10 HG2 PRO 15 HG2 PRO 15 1.135 -3.741 -6.791 11 HG3 PRO 15 HG3 PRO 15 1.226 -5.501 -6.461 12 HD2 PRO 15 HD2 PRO 15 -0.970 -4.011 -5.899 13 HD3 PRO 15 HD3 PRO 15 -0.485 -5.368 -4.845 14 H CYS 16 H CYS 16 2.922 -1.422 -2.843 15 HA CYS 16 HA CYS 16 1.821 0.825 -4.345 16 HB2 CYS 16 2HB CYS 16 3.557 0.486 -1.952 17 HB3 CYS 16 3HB CYS 16 3.636 2.019 -2.816 18 H LEU 17 H LEU 17 2.457 0.151 -6.434 19 HA LEU 17 HA LEU 17 5.031 0.097 -7.538 20 HB2 LEU 17 HB2 LEU 17 2.297 0.961 -8.509 21 HB3 LEU 17 HB3 LEU 17 3.676 1.349 -9.507 22 HG LEU 17 HG LEU 17 2.582 -0.695 -10.232 23 HD11 LEU 17 HD11 LEU 17 5.378 -1.256 -9.173 24 HD12 LEU 17 HD12 LEU 17 4.996 -0.335 -10.643 25 HD13 LEU 17 HD13 LEU 17 4.568 -2.046 -10.529 26 HD21 LEU 17 HD21 LEU 17 2.735 -2.781 -8.997 27 HD22 LEU 17 HD22 LEU 17 1.819 -1.586 -8.069 28 HD23 LEU 17 HD23 LEU 17 3.503 -1.965 -7.625 29 H SER 18 H SER 18 3.310 2.904 -6.331 30 HA SER 18 HA SER 18 4.896 4.988 -7.408 31 HB2 SER 18 HB2 SER 18 3.584 4.898 -4.687 32 HB3 SER 18 HB3 SER 18 3.899 6.336 -5.690 33 HG SER 18 HG SER 18 1.767 5.799 -5.900 34 H GLU 19 H GLU 19 5.264 3.314 -4.198 35 HA GLU 19 HA GLU 19 7.840 4.550 -3.591 36 HB2 GLU 19 HB2 GLU 19 6.589 1.966 -2.553 37 HB3 GLU 19 HB3 GLU 19 8.050 2.704 -1.917 38 HG2 GLU 19 HG2 GLU 19 5.284 3.933 -1.803 39 HG3 GLU 19 HG3 GLU 19 6.070 3.055 -0.494 40 H SER 20 H SER 20 6.766 1.672 -5.352 41 HA SER 20 HA SER 20 9.345 0.393 -5.400 42 HB2 SER 20 HB2 SER 20 6.964 -0.557 -5.931 43 HB3 SER 20 HB3 SER 20 7.399 -0.130 -7.600 44 HG SER 20 HG SER 20 8.411 -1.970 -7.506 45 H ASP 21 H ASP 21 7.791 2.654 -7.641 46 HA ASP 21 HA ASP 21 9.761 2.694 -9.702 47 HB2 ASP 21 HB2 ASP 21 7.504 3.342 -10.028 48 HB3 ASP 21 HB3 ASP 21 7.538 4.502 -8.705 49 H ALA 22 H ALA 22 9.394 4.771 -6.771 50 HA ALA 22 HA ALA 22 11.758 6.357 -7.381 51 HB1 ALA 22 HB1 ALA 22 9.880 7.237 -6.051 52 HB2 ALA 22 HB2 ALA 22 10.171 6.003 -4.805 53 HB3 ALA 22 HB3 ALA 22 11.382 7.270 -5.123 54 H SER 23 H SER 23 11.173 3.504 -5.213 55 HA SER 23 HA SER 23 13.938 3.322 -4.408 56 HB2 SER 23 HB2 SER 23 13.480 0.900 -3.988 57 HB3 SER 23 HB3 SER 23 12.451 2.050 -3.133 58 HG SER 23 HG SER 23 10.795 1.644 -4.503 59 H THR 24 H THR 24 12.247 2.094 -7.342 60 HA THR 24 HA THR 24 14.513 0.800 -8.494 61 HB THR 24 HB THR 24 12.237 2.248 -9.892 62 HG1 THR 24 HG1 THR 24 11.537 0.534 -8.689 63 HG21 THR 24 HG21 THR 24 14.286 0.283 -10.967 64 HG22 THR 24 HG22 THR 24 14.039 1.961 -11.507 65 HG23 THR 24 HG23 THR 24 12.787 0.747 -11.801 66 H ARG 25 H ARG 25 13.584 4.303 -8.594 67 HA ARG 25 HA ARG 25 15.898 5.155 -10.106 68 HB2 ARG 25 HB2 ARG 25 14.525 6.750 -7.890 69 HB3 ARG 25 HB3 ARG 25 15.633 7.363 -9.093 70 HG2 ARG 25 HG2 ARG 25 12.786 6.461 -9.504 71 HG3 ARG 25 HG3 ARG 25 13.488 8.055 -9.744 72 HD2 ARG 25 HD2 ARG 25 14.913 7.086 -11.582 73 HD3 ARG 25 HD3 ARG 25 14.017 5.565 -11.414 74 HE ARG 25 HE ARG 25 13.176 7.964 -12.791 75 HH11 ARG 25 HH11 ARG 25 11.768 5.289 -10.947 76 HH12 ARG 25 HH12 ARG 25 10.280 5.393 -11.853 77 HH21 ARG 25 HH21 ARG 25 11.284 7.912 -13.914 78 HH22 ARG 25 HH22 ARG 25 10.028 6.797 -13.472 79 H CYS 26 H CYS 26 15.540 4.882 -6.549 80 HA CYS 26 HA CYS 26 18.203 5.573 -5.852 81 HB2 CYS 26 2HB CYS 26 16.641 5.411 -4.109 82 HB3 CYS 26 3HB CYS 26 16.086 3.812 -4.601 83 H LEU 27 H LEU 27 16.886 2.330 -6.565 84 HA LEU 27 HA LEU 27 19.307 0.876 -6.144 85 HB2 LEU 27 HB2 LEU 27 16.601 0.421 -7.388 86 HB3 LEU 27 HB3 LEU 27 17.867 -0.709 -7.804 87 HG LEU 27 HG LEU 27 18.248 -1.380 -5.686 88 HD11 LEU 27 HD11 LEU 27 18.256 0.565 -4.251 89 HD12 LEU 27 HD12 LEU 27 17.222 -0.688 -3.589 90 HD13 LEU 27 HD13 LEU 27 16.489 0.710 -4.405 91 HD21 LEU 27 HD21 LEU 27 16.090 -2.325 -4.982 92 HD22 LEU 27 HD22 LEU 27 16.079 -2.157 -6.751 93 HD23 LEU 27 HD23 LEU 27 15.224 -0.977 -5.751 94 H ASP 28 H ASP 28 17.966 2.267 -9.025 95 HA ASP 28 HA ASP 28 20.057 1.579 -10.890 96 HB2 ASP 28 HB2 ASP 28 17.724 2.371 -11.427 97 HB3 ASP 28 HB3 ASP 28 18.192 3.992 -10.920 98 H GLU 29 H GLU 29 19.693 4.383 -8.665 99 HA GLU 29 HA GLU 29 21.947 5.862 -9.573 100 HB2 GLU 29 HB2 GLU 29 19.944 5.967 -7.446 101 HB3 GLU 29 HB3 GLU 29 21.483 6.382 -6.783 102 HG2 GLU 29 HG2 GLU 29 20.279 7.640 -9.302 103 HG3 GLU 29 HG3 GLU 29 20.039 8.263 -7.680 104 H ASN 30 H ASN 30 21.684 3.632 -6.784 105 HA ASN 30 HA ASN 30 24.614 3.959 -6.320 106 HB2 ASN 30 HB2 ASN 30 23.948 3.764 -3.909 107 HB3 ASN 30 HB3 ASN 30 23.362 5.198 -4.738 108 HD21 ASN 30 HD21 ASN 30 22.121 1.878 -4.621 109 HD22 ASN 30 HD22 ASN 30 20.431 2.441 -4.466 110 H ASN 31 H ASN 31 24.014 1.816 -8.001 111 HA ASN 31 HA ASN 31 24.028 -0.444 -8.223 112 HB2 ASN 31 HB2 ASN 31 26.392 0.290 -7.855 113 HB3 ASN 31 HB3 ASN 31 26.244 -0.248 -6.180 114 HD21 ASN 31 HD21 ASN 31 28.104 -1.628 -6.857 115 HD22 ASN 31 HD22 ASN 31 27.715 -3.182 -7.589 116 H TYR 32 H TYR 32 21.867 -0.227 -7.036 117 HA TYR 32 HA TYR 32 20.281 -1.204 -5.872 118 HB2 TYR 32 HB2 TYR 32 21.568 -3.032 -7.274 119 HB3 TYR 32 HB3 TYR 32 21.813 -3.764 -5.708 120 HD1 TYR 32 HD2 TYR 32 19.773 -4.468 -4.340 121 HD2 TYR 32 HD1 TYR 32 19.454 -2.984 -8.377 122 HE1 TYR 32 HE2 TYR 32 17.499 -5.439 -4.522 123 HE2 TYR 32 HE1 TYR 32 17.191 -3.968 -8.558 124 HH TYR 32 HH TYR 32 15.561 -5.212 -7.526 125 H ASP 33 H ASP 33 21.314 0.358 -3.988 126 HA ASP 33 HA ASP 33 21.866 -1.176 -1.568 127 HB2 ASP 33 HB2 ASP 33 22.953 1.040 -2.117 128 HB3 ASP 33 HB3 ASP 33 21.430 1.807 -1.651 129 H ARG 34 H ARG 34 19.906 -2.318 -2.106 130 HA ARG 34 HA ARG 34 17.254 -1.591 -1.371 131 HB2 ARG 34 HB2 ARG 34 16.923 -4.004 -1.040 132 HB3 ARG 34 HB3 ARG 34 17.857 -3.685 -2.501 133 HG2 ARG 34 HG2 ARG 34 19.951 -4.231 -1.317 134 HG3 ARG 34 HG3 ARG 34 19.063 -4.514 0.191 135 HD2 ARG 34 HD2 ARG 34 17.871 -6.385 -0.823 136 HD3 ARG 34 HD3 ARG 34 18.648 -6.060 -2.388 137 HE ARG 34 HE ARG 34 20.702 -6.428 -0.451 138 HH11 ARG 34 HH11 ARG 34 18.287 -8.317 -2.154 139 HH12 ARG 34 HH12 ARG 34 19.293 -9.746 -2.203 140 HH21 ARG 34 HH21 ARG 34 21.837 -8.329 -0.316 141 HH22 ARG 34 HH22 ARG 34 21.285 -9.740 -1.199 142 H GLU 35 H GLU 35 19.896 -1.490 0.713 143 HA GLU 35 HA GLU 35 18.239 -1.999 3.146 144 HB2 GLU 35 HB2 GLU 35 21.238 -1.610 2.895 145 HB3 GLU 35 HB3 GLU 35 20.328 -1.769 4.402 146 HG2 GLU 35 HG2 GLU 35 19.396 -3.983 3.389 147 HG3 GLU 35 HG3 GLU 35 20.729 -3.857 2.233 148 H ARG 36 H ARG 36 20.354 0.621 1.748 149 HA ARG 36 HA ARG 36 19.236 2.656 3.537 150 HB2 ARG 36 HB2 ARG 36 20.719 2.866 0.891 151 HB3 ARG 36 HB3 ARG 36 20.101 4.258 1.796 152 HG2 ARG 36 HG2 ARG 36 21.319 3.360 3.844 153 HG3 ARG 36 HG3 ARG 36 22.137 2.227 2.766 154 HD2 ARG 36 HD2 ARG 36 23.101 4.099 1.511 155 HD3 ARG 36 HD3 ARG 36 22.120 5.252 2.450 156 HE ARG 36 HE ARG 36 23.688 3.677 4.258 157 HH11 ARG 36 HH11 ARG 36 24.304 6.273 1.934 158 HH12 ARG 36 HH12 ARG 36 25.782 6.687 2.813 159 HH21 ARG 36 HH21 ARG 36 25.386 4.395 5.276 160 HH22 ARG 36 HH22 ARG 36 26.373 5.690 4.575 161 H CYS 37 H CYS 37 18.130 1.280 0.516 162 HA CYS 37 HA CYS 37 15.712 2.997 0.702 163 HB2 CYS 37 2HB CYS 37 16.904 1.465 -1.607 164 HB3 CYS 37 3HB CYS 37 15.341 2.304 -1.671 165 H SER 38 H SER 38 16.238 0.665 2.485 166 HA SER 38 HA SER 38 14.176 -1.297 1.908 167 HB2 SER 38 HB2 SER 38 14.446 -1.957 4.254 168 HB3 SER 38 HB3 SER 38 16.006 -1.844 3.434 169 HG SER 38 HG SER 38 16.515 -0.070 4.544 170 H THR 39 H THR 39 14.111 1.919 3.301 171 HA THR 39 HA THR 39 11.713 1.909 4.810 172 HB THR 39 HB THR 39 11.737 4.375 4.207 173 HG1 THR 39 HG1 THR 39 13.414 5.080 2.980 174 HG21 THR 39 HG21 THR 39 13.927 4.914 5.202 175 HG22 THR 39 HG22 THR 39 14.486 3.251 4.942 176 HG23 THR 39 HG23 THR 39 13.172 3.593 6.088 177 H TYR 40 H TYR 40 12.240 2.591 1.382 178 HA TYR 40 HA TYR 40 9.585 2.944 0.474 179 HB2 TYR 40 HB2 TYR 40 11.863 1.566 -0.988 180 HB3 TYR 40 HB3 TYR 40 10.434 2.262 -1.719 181 HD1 TYR 40 HD1 TYR 40 13.505 3.160 0.246 182 HD2 TYR 40 HD2 TYR 40 10.481 4.522 -2.503 183 HE1 TYR 40 HE1 TYR 40 14.841 5.200 -0.198 184 HE2 TYR 40 HE2 TYR 40 11.833 6.561 -2.951 185 HH TYR 40 HH TYR 40 14.994 7.120 -1.343 186 H PHE 41 H PHE 41 11.479 -0.119 0.684 187 HA PHE 41 HA PHE 41 9.422 -1.923 -0.133 188 HB2 PHE 41 HB2 PHE 41 11.461 -2.913 -0.195 189 HB3 PHE 41 HB3 PHE 41 12.074 -2.076 1.210 190 HD1 PHE 41 HD1 PHE 41 9.661 -4.795 0.259 191 HD2 PHE 41 HD2 PHE 41 12.213 -3.142 3.318 192 HE1 PHE 41 HE1 PHE 41 9.269 -6.793 1.685 193 HE2 PHE 41 HE2 PHE 41 11.791 -5.126 4.747 194 HZ PHE 41 HZ PHE 41 10.328 -6.959 3.931 195 H LEU 42 H LEU 42 10.290 -0.704 3.144 196 HA LEU 42 HA LEU 42 8.398 -2.287 4.509 197 HB2 LEU 42 HB2 LEU 42 10.182 -1.208 5.725 198 HB3 LEU 42 HB3 LEU 42 9.729 0.385 5.128 199 HG LEU 42 HG LEU 42 7.670 0.372 6.447 200 HD11 LEU 42 HD11 LEU 42 8.656 -2.316 7.453 201 HD12 LEU 42 HD12 LEU 42 7.170 -2.022 6.518 202 HD13 LEU 42 HD13 LEU 42 7.310 -1.390 8.165 203 HD21 LEU 42 HD21 LEU 42 10.165 -0.329 8.031 204 HD22 LEU 42 HD22 LEU 42 8.702 0.421 8.701 205 HD23 LEU 42 HD23 LEU 42 9.646 1.284 7.478 206 H ARG 43 H ARG 43 7.994 1.108 3.351 207 HA ARG 43 HA ARG 43 5.168 0.993 4.040 208 HB2 ARG 43 HB2 ARG 43 6.617 2.975 2.270 209 HB3 ARG 43 HB3 ARG 43 4.921 3.089 2.791 210 HG2 ARG 43 HG2 ARG 43 5.742 2.837 5.195 211 HG3 ARG 43 HG3 ARG 43 7.377 3.012 4.590 212 HD2 ARG 43 HD2 ARG 43 6.610 5.246 3.573 213 HD3 ARG 43 HD3 ARG 43 5.090 5.042 4.435 214 HE ARG 43 HE ARG 43 7.696 5.821 5.502 215 HH11 ARG 43 HH11 ARG 43 4.519 4.621 6.527 216 HH12 ARG 43 HH12 ARG 43 4.842 5.024 8.191 217 HH21 ARG 43 HH21 ARG 43 7.847 6.592 7.555 218 HH22 ARG 43 HH22 ARG 43 6.623 6.198 8.726 219 H TYR 44 H TYR 44 6.906 -0.186 1.328 220 HA TYR 44 HA TYR 44 4.658 -0.444 -0.475 221 HB2 TYR 44 HB2 TYR 44 6.941 -0.555 -1.272 222 HB3 TYR 44 HB3 TYR 44 7.265 -1.977 -0.309 223 HD1 TYR 44 HD1 TYR 44 6.338 -4.188 -0.874 224 HD2 TYR 44 HD2 TYR 44 5.939 -0.751 -3.417 225 HE1 TYR 44 HE1 TYR 44 6.008 -5.688 -2.839 226 HE2 TYR 44 HE2 TYR 44 5.550 -2.243 -5.389 227 HH TYR 44 HH TYR 44 5.642 -4.391 -6.173 228 H LYS 45 H LYS 45 6.018 -2.743 1.976 229 HA LYS 45 HA LYS 45 3.688 -4.500 1.581 230 HB2 LYS 45 HB2 LYS 45 4.517 -5.911 3.239 231 HB3 LYS 45 HB3 LYS 45 5.826 -5.476 2.148 232 HG2 LYS 45 HG2 LYS 45 6.764 -3.945 3.816 233 HG3 LYS 45 HG3 LYS 45 5.413 -4.258 4.919 234 HD2 LYS 45 HD2 LYS 45 7.311 -6.404 3.879 235 HD3 LYS 45 HD3 LYS 45 7.560 -5.549 5.404 236 HE2 LYS 45 HE2 LYS 45 5.636 -6.486 6.420 237 HE3 LYS 45 HE3 LYS 45 4.948 -7.014 4.878 238 HZ1 LYS 45 HZ1 LYS 45 6.684 -8.621 4.653 239 HZ2 LYS 45 HZ2 LYS 45 5.941 -8.879 6.079 240 HZ3 LYS 45 HZ3 LYS 45 7.428 -8.140 6.046 241 H ASN 46 H ASN 46 4.363 -1.840 3.849 242 HA ASN 46 HA ASN 46 2.088 -2.287 5.529 243 HB2 ASN 46 HB2 ASN 46 3.205 0.394 4.631 244 HB3 ASN 46 HB3 ASN 46 2.137 0.124 5.985 245 HD21 ASN 46 HD21 ASN 46 4.362 1.518 6.367 246 HD22 ASN 46 HD22 ASN 46 5.573 0.603 7.259 247 H CYS 47 H CYS 47 2.287 -0.692 2.284 248 HA CYS 47 HA CYS 47 -0.418 0.066 2.031 249 HB2 CYS 47 2HB CYS 47 1.389 -1.133 -0.124 250 HB3 CYS 47 3HB CYS 47 -0.112 -0.267 -0.398 251 H ARG 48 H ARG 48 1.064 -3.107 1.213 252 HA ARG 48 HA ARG 48 -1.433 -4.307 0.503 253 HB2 ARG 48 HB2 ARG 48 1.168 -5.659 1.372 254 HB3 ARG 48 HB3 ARG 48 -0.214 -6.434 0.582 255 HG2 ARG 48 HG2 ARG 48 0.214 -4.344 -1.133 256 HG3 ARG 48 HG3 ARG 48 1.861 -4.577 -0.573 257 HD2 ARG 48 HD2 ARG 48 0.256 -6.980 -1.492 258 HD3 ARG 48 HD3 ARG 48 0.758 -5.788 -2.682 259 HE ARG 48 HE ARG 48 3.048 -6.568 -1.118 260 HH11 ARG 48 HH11 ARG 48 0.952 -7.884 -3.630 261 HH12 ARG 48 HH12 ARG 48 2.233 -8.881 -4.270 262 HH21 ARG 48 HH21 ARG 48 4.599 -7.840 -2.017 263 HH22 ARG 48 HH22 ARG 48 4.221 -8.826 -3.425 264 H ARG 49 H ARG 49 0.318 -4.382 3.639 265 HA ARG 49 HA ARG 49 -1.526 -6.035 5.010 266 HB2 ARG 49 HB2 ARG 49 0.711 -5.293 5.895 267 HB3 ARG 49 HB3 ARG 49 0.032 -3.684 6.187 268 HG2 ARG 49 HG2 ARG 49 -1.723 -4.803 7.683 269 HG3 ARG 49 HG3 ARG 49 -0.829 -6.313 7.480 270 HD2 ARG 49 HD2 ARG 49 0.245 -3.743 8.713 271 HD3 ARG 49 HD3 ARG 49 -0.372 -5.118 9.605 272 HE ARG 49 HE ARG 49 1.472 -6.454 8.961 273 HH11 ARG 49 HH11 ARG 49 1.962 -3.065 8.053 274 HH12 ARG 49 HH12 ARG 49 3.656 -3.356 7.724 275 HH21 ARG 49 HH21 ARG 49 3.620 -6.677 8.540 276 HH22 ARG 49 HH22 ARG 49 4.567 -5.245 8.116 277 H PHE 50 H PHE 50 -1.666 -2.433 4.791 278 HA PHE 50 HA PHE 50 -3.950 -2.132 6.443 279 HB2 PHE 50 HB2 PHE 50 -2.525 -0.277 5.612 280 HB3 PHE 50 HB3 PHE 50 -3.124 -0.501 3.994 281 HD1 PHE 50 HD2 PHE 50 -4.277 0.313 7.485 282 HD2 PHE 50 HD1 PHE 50 -5.163 0.508 3.272 283 HE1 PHE 50 HE2 PHE 50 -6.267 1.716 7.962 284 HE2 PHE 50 HE1 PHE 50 -7.155 1.900 3.747 285 HZ PHE 50 HZ PHE 50 -7.712 2.510 6.099 286 H TRP 51 H TRP 51 -3.833 -2.279 2.881 287 HA TRP 51 HA TRP 51 -6.710 -2.358 2.692 288 HB2 TRP 51 HB2 TRP 51 -4.549 -2.822 0.641 289 HB3 TRP 51 HB3 TRP 51 -6.267 -2.817 0.279 290 HD1 TRP 51 HD1 TRP 51 -3.385 -0.439 0.726 291 HE1 TRP 51 HE1 TRP 51 -4.144 1.948 0.301 292 HE3 TRP 51 HE3 TRP 51 -8.470 -1.087 1.121 293 HZ2 TRP 51 HZ2 TRP 51 -6.542 3.461 0.496 294 HZ3 TRP 51 HZ3 TRP 51 -9.948 0.918 1.157 295 HH2 TRP 51 HH2 TRP 51 -8.979 3.207 0.882 296 H ASN 52 H ASN 52 -4.366 -5.025 3.024 297 HA ASN 52 HA ASN 52 -6.240 -7.156 2.524 298 HB2 ASN 52 HB2 ASN 52 -3.606 -6.823 4.000 299 HB3 ASN 52 HB3 ASN 52 -4.516 -8.269 4.224 300 HD21 ASN 52 HD21 ASN 52 -2.059 -8.599 3.222 301 HD22 ASN 52 HD22 ASN 52 -2.182 -9.010 1.505 302 H SER 53 H SER 53 -5.499 -5.211 5.474 303 HA SER 53 HA SER 53 -7.308 -6.632 7.200 304 HB2 SER 53 HB2 SER 53 -6.529 -3.692 7.329 305 HB3 SER 53 HB3 SER 53 -7.247 -4.656 8.622 306 HG SER 53 HG SER 53 -4.857 -4.366 8.585 307 H ILE 54 H ILE 54 -7.803 -3.767 5.027 308 HA ILE 54 HA ILE 54 -10.588 -3.461 5.684 309 HB ILE 54 HB ILE 54 -9.052 -2.733 3.164 310 HG12 ILE 54 HG12 ILE 54 -8.160 -1.589 5.128 311 HG13 ILE 54 HG13 ILE 54 -8.980 -0.471 4.075 312 HG21 ILE 54 HG21 ILE 54 -11.386 -2.782 2.556 313 HG22 ILE 54 HG22 ILE 54 -11.850 -1.898 4.022 314 HG23 ILE 54 HG23 ILE 54 -10.899 -1.098 2.751 315 HD11 ILE 54 HD11 ILE 54 -10.948 -0.468 5.630 316 HD12 ILE 54 HD12 ILE 54 -10.083 -1.602 6.696 317 HD13 ILE 54 HD13 ILE 54 -9.447 0.028 6.425 318 H VAL 55 H VAL 55 -9.003 -5.488 3.207 319 HA VAL 55 HA VAL 55 -11.366 -6.640 2.096 320 HB VAL 55 HB VAL 55 -8.519 -7.626 2.382 321 HG11 VAL 55 HG11 VAL 55 -10.764 -9.054 0.915 322 HG12 VAL 55 HG12 VAL 55 -9.032 -9.395 0.739 323 HG13 VAL 55 HG13 VAL 55 -9.825 -9.684 2.287 324 HG21 VAL 55 HG21 VAL 55 -9.069 -5.718 0.846 325 HG22 VAL 55 HG22 VAL 55 -8.424 -7.143 0.020 326 HG23 VAL 55 HG23 VAL 55 -10.167 -6.794 -0.033 327 H MET 56 H MET 56 -9.454 -7.794 4.983 328 HA MET 56 HA MET 56 -11.275 -9.949 5.559 329 HB2 MET 56 HB2 MET 56 -9.508 -8.329 7.452 330 HB3 MET 56 HB3 MET 56 -10.392 -9.790 7.894 331 HG2 MET 56 HG2 MET 56 -9.165 -11.001 6.033 332 HG3 MET 56 HG3 MET 56 -8.203 -9.545 5.826 333 HE1 MET 56 HE1 MET 56 -9.446 -11.748 8.939 334 HE2 MET 56 HE2 MET 56 -8.742 -12.811 7.702 335 HE3 MET 56 HE3 MET 56 -7.913 -12.591 9.255 336 H GLN 57 H GLN 57 -11.350 -6.556 6.541 337 HA GLN 57 HA GLN 57 -13.638 -6.767 8.318 338 HB2 GLN 57 HB2 GLN 57 -11.952 -4.527 7.160 339 HB3 GLN 57 HB3 GLN 57 -13.522 -4.142 7.820 340 HG2 GLN 57 HG2 GLN 57 -12.012 -3.711 9.524 341 HG3 GLN 57 HG3 GLN 57 -12.892 -5.163 9.996 342 HE21 GLN 57 HE21 GLN 57 -11.654 -7.292 9.809 343 HE22 GLN 57 HE22 GLN 57 -9.897 -7.195 9.952 344 H ARG 58 H ARG 58 -13.360 -6.295 4.856 345 HA ARG 58 HA ARG 58 -16.283 -5.901 4.506 346 HB2 ARG 58 HB2 ARG 58 -13.840 -6.171 2.751 347 HB3 ARG 58 HB3 ARG 58 -15.354 -6.749 2.086 348 HG2 ARG 58 HG2 ARG 58 -14.839 -4.466 1.420 349 HG3 ARG 58 HG3 ARG 58 -16.397 -4.639 2.224 350 HD2 ARG 58 HD2 ARG 58 -15.479 -3.667 4.282 351 HD3 ARG 58 HD3 ARG 58 -13.890 -3.489 3.501 352 HE ARG 58 HE ARG 58 -15.635 -2.264 1.753 353 HH11 ARG 58 HH11 ARG 58 -15.248 -1.668 5.224 354 HH12 ARG 58 HH12 ARG 58 -15.652 0.024 4.998 355 HH21 ARG 58 HH21 ARG 58 -16.305 -0.142 1.692 356 HH22 ARG 58 HH22 ARG 58 -16.104 0.858 3.134 357 H ARG 59 H ARG 59 -13.978 -8.537 4.193 358 HA ARG 59 HA ARG 59 -15.846 -10.332 3.008 359 HB2 ARG 59 HB2 ARG 59 -13.434 -10.437 2.667 360 HB3 ARG 59 HB3 ARG 59 -13.183 -10.960 4.342 361 HG2 ARG 59 HG2 ARG 59 -14.267 -13.051 3.942 362 HG3 ARG 59 HG3 ARG 59 -14.969 -12.495 2.417 363 HD2 ARG 59 HD2 ARG 59 -12.728 -12.346 1.415 364 HD3 ARG 59 HD3 ARG 59 -12.006 -12.980 2.917 365 HE ARG 59 HE ARG 59 -13.697 -14.961 2.466 366 HH11 ARG 59 HH11 ARG 59 -11.507 -13.611 0.079 367 HH12 ARG 59 HH12 ARG 59 -11.997 -14.769 -1.125 368 HH21 ARG 59 HH21 ARG 59 -14.212 -16.361 0.990 369 HH22 ARG 59 HH22 ARG 59 -13.489 -16.383 -0.615 370 H LYS 60 H LYS 60 -15.414 -9.690 6.377 371 HA LYS 60 HA LYS 60 -16.816 -11.796 7.581 372 HB2 LYS 60 HB2 LYS 60 -17.435 -10.257 9.246 373 HB3 LYS 60 HB3 LYS 60 -15.864 -9.718 8.640 374 HG2 LYS 60 HG2 LYS 60 -17.045 -7.965 7.274 375 HG3 LYS 60 HG3 LYS 60 -18.583 -8.515 7.984 376 HD2 LYS 60 HD2 LYS 60 -17.615 -8.111 10.256 377 HD3 LYS 60 HD3 LYS 60 -16.221 -7.327 9.485 378 HE2 LYS 60 HE2 LYS 60 -17.559 -5.545 8.636 379 HE3 LYS 60 HE3 LYS 60 -19.063 -6.460 8.865 380 HZ1 LYS 60 HZ1 LYS 60 -18.744 -6.349 11.242 381 HZ2 LYS 60 HZ2 LYS 60 -18.877 -4.854 10.632 382 HZ3 LYS 60 HZ3 LYS 60 -17.379 -5.406 11.065 383 H ASN 61 H ASN 61 -18.190 -9.458 5.286 384 HA ASN 61 HA ASN 61 -20.924 -10.385 5.791 385 HB2 ASN 61 HB2 ASN 61 -19.801 -8.395 3.802 386 HB3 ASN 61 HB3 ASN 61 -21.510 -8.737 4.066 387 HD21 ASN 61 HD21 ASN 61 -18.781 -7.034 5.235 388 HD22 ASN 61 HD22 ASN 61 -19.646 -6.245 6.577 389 H GLY 62 H GLY 62 -18.365 -11.248 3.607 390 HA2 GLY 62 HA2 GLY 62 -18.122 -13.009 2.179 391 HA3 GLY 62 HA3 GLY 62 -19.648 -13.627 2.798 392 H VAL 63 H VAL 63 -20.112 -10.636 1.349 393 HA VAL 63 HA VAL 63 -21.790 -12.066 -0.636 394 HB VAL 63 HB VAL 63 -22.831 -10.981 1.242 395 HG11 VAL 63 HG11 VAL 63 -21.774 -8.316 0.211 396 HG12 VAL 63 HG12 VAL 63 -22.874 -8.567 1.572 397 HG13 VAL 63 HG13 VAL 63 -21.212 -9.147 1.682 398 HG21 VAL 63 HG21 VAL 63 -24.556 -9.711 0.159 399 HG22 VAL 63 HG22 VAL 63 -23.529 -9.388 -1.250 400 HG23 VAL 63 HG23 VAL 63 -24.077 -11.043 -0.900 401 H LYS 64 H LYS 64 -19.358 -9.615 -0.693 402 HA LYS 64 HA LYS 64 -20.165 -8.566 -3.390 403 HB2 LYS 64 HB2 LYS 64 -19.302 -6.410 -2.560 404 HB3 LYS 64 HB3 LYS 64 -20.563 -7.006 -1.506 405 HG2 LYS 64 HG2 LYS 64 -19.044 -7.485 0.249 406 HG3 LYS 64 HG3 LYS 64 -17.661 -7.613 -0.839 407 HD2 LYS 64 HD2 LYS 64 -17.408 -5.589 0.370 408 HD3 LYS 64 HD3 LYS 64 -17.766 -5.191 -1.305 409 HE2 LYS 64 HE2 LYS 64 -20.218 -4.897 -0.625 410 HE3 LYS 64 HE3 LYS 64 -19.703 -5.094 1.058 411 HZ1 LYS 64 HZ1 LYS 64 -18.180 -3.167 0.637 412 HZ2 LYS 64 HZ2 LYS 64 -19.779 -2.766 0.529 413 HZ3 LYS 64 HZ3 LYS 64 -18.868 -2.966 -0.826 414 HA PRO 65 HA PRO 65 -15.715 -8.922 -4.518 415 HB2 PRO 65 HB2 PRO 65 -15.126 -6.466 -5.572 416 HB3 PRO 65 HB3 PRO 65 -16.072 -7.712 -6.456 417 HG2 PRO 65 HG2 PRO 65 -17.187 -5.403 -4.815 418 HG3 PRO 65 HG3 PRO 65 -17.566 -5.817 -6.514 419 HD2 PRO 65 HD2 PRO 65 -19.169 -6.704 -4.581 420 HD3 PRO 65 HD3 PRO 65 -18.683 -7.821 -5.870 421 H PHE 66 H PHE 66 -14.217 -8.829 -2.946 422 HA PHE 66 HA PHE 66 -14.699 -7.188 -0.600 423 HB2 PHE 66 HB2 PHE 66 -12.463 -9.158 -1.173 424 HB3 PHE 66 HB3 PHE 66 -12.906 -8.499 0.387 425 HD1 PHE 66 HD2 PHE 66 -15.660 -8.768 0.810 426 HD2 PHE 66 HD1 PHE 66 -13.158 -11.333 -1.575 427 HE1 PHE 66 HE2 PHE 66 -17.311 -10.610 1.063 428 HE2 PHE 66 HE1 PHE 66 -14.782 -13.194 -1.278 429 HZ PHE 66 HZ PHE 66 -16.850 -12.838 0.048 430 H MET 67 H MET 67 -11.952 -7.375 -2.887 431 HA MET 67 HA MET 67 -10.478 -5.170 -1.921 432 HB2 MET 67 HB2 MET 67 -10.856 -6.388 -4.655 433 HB3 MET 67 HB3 MET 67 -9.972 -4.872 -4.484 434 HG2 MET 67 HG2 MET 67 -9.300 -7.416 -2.970 435 HG3 MET 67 HG3 MET 67 -8.493 -6.856 -4.435 436 HE1 MET 67 HE1 MET 67 -6.156 -7.095 -3.254 437 HE2 MET 67 HE2 MET 67 -5.779 -6.392 -1.661 438 HE3 MET 67 HE3 MET 67 -7.007 -7.674 -1.805 439 HA PRO 68 HA PRO 68 -13.893 -2.373 -2.201 440 HB2 PRO 68 HB2 PRO 68 -12.778 -0.071 -1.175 441 HB3 PRO 68 HB3 PRO 68 -13.166 -1.520 -0.197 442 HG2 PRO 68 HG2 PRO 68 -10.493 -0.773 -1.438 443 HG3 PRO 68 HG3 PRO 68 -10.832 -1.257 0.258 444 HD2 PRO 68 HD2 PRO 68 -9.939 -3.063 -1.550 445 HD3 PRO 68 HD3 PRO 68 -11.203 -3.511 -0.365 446 H THR 69 H THR 69 -14.673 -0.390 -3.147 447 HA THR 69 HA THR 69 -13.473 0.080 -5.800 448 HB THR 69 HB THR 69 -15.703 0.881 -6.424 449 HG1 THR 69 HG1 THR 69 -16.426 0.197 -3.743 450 HG21 THR 69 HG21 THR 69 -15.244 -1.557 -6.586 451 HG22 THR 69 HG22 THR 69 -16.948 -1.217 -6.252 452 HG23 THR 69 HG23 THR 69 -15.898 -1.791 -4.950 453 H ALA 70 H ALA 70 -13.637 2.196 -6.779 454 HA ALA 70 HA ALA 70 -11.830 3.803 -5.560 455 HB1 ALA 70 HB1 ALA 70 -13.850 4.656 -7.667 456 HB2 ALA 70 HB2 ALA 70 -12.308 5.463 -7.319 457 HB3 ALA 70 HB3 ALA 70 -12.314 3.808 -7.948 458 H ALA 71 H ALA 71 -15.355 4.578 -5.439 459 HA ALA 71 HA ALA 71 -15.044 6.964 -3.872 460 HB1 ALA 71 HB1 ALA 71 -17.480 6.686 -3.507 461 HB2 ALA 71 HB2 ALA 71 -17.042 6.453 -5.205 462 HB3 ALA 71 HB3 ALA 71 -17.399 5.046 -4.177 463 H GLU 72 H GLU 72 -15.151 3.532 -2.918 464 HA GLU 72 HA GLU 72 -15.592 4.025 -0.100 465 HB2 GLU 72 HB2 GLU 72 -14.495 1.571 -1.482 466 HB3 GLU 72 HB3 GLU 72 -14.996 1.713 0.199 467 HG2 GLU 72 HG2 GLU 72 -17.310 2.222 -0.517 468 HG3 GLU 72 HG3 GLU 72 -16.827 2.067 -2.217 469 H ARG 73 H ARG 73 -12.833 3.210 -2.251 470 HA ARG 73 HA ARG 73 -10.743 3.355 -0.340 471 HB2 ARG 73 HB2 ARG 73 -10.717 4.118 -3.289 472 HB3 ARG 73 HB3 ARG 73 -9.270 3.846 -2.317 473 HG2 ARG 73 HG2 ARG 73 -9.764 1.503 -2.033 474 HG3 ARG 73 HG3 ARG 73 -11.399 1.690 -2.639 475 HD2 ARG 73 HD2 ARG 73 -10.544 0.901 -4.566 476 HD3 ARG 73 HD3 ARG 73 -10.126 2.572 -4.836 477 HE ARG 73 HE ARG 73 -7.868 2.150 -4.287 478 HH11 ARG 73 HH11 ARG 73 -9.706 -0.854 -4.591 479 HH12 ARG 73 HH12 ARG 73 -8.238 -1.770 -4.875 480 HH21 ARG 73 HH21 ARG 73 -6.083 0.849 -4.435 481 HH22 ARG 73 HH22 ARG 73 -6.288 -0.844 -4.797 482 H ASP 74 H ASP 74 -12.239 6.002 -2.183 483 HA ASP 74 HA ASP 74 -10.725 8.158 -1.074 484 HB2 ASP 74 HB2 ASP 74 -12.117 8.296 -3.088 485 HB3 ASP 74 HB3 ASP 74 -13.567 8.022 -2.149 486 H GLU 75 H GLU 75 -14.029 6.980 0.058 487 HA GLU 75 HA GLU 75 -14.011 8.791 2.276 488 HB2 GLU 75 HB2 GLU 75 -15.879 7.668 3.146 489 HB3 GLU 75 HB3 GLU 75 -16.064 7.683 1.400 490 HG2 GLU 75 HG2 GLU 75 -15.367 5.374 1.285 491 HG3 GLU 75 HG3 GLU 75 -15.055 5.274 3.000 492 H ILE 76 H ILE 76 -12.664 5.566 1.980 493 HA ILE 76 HA ILE 76 -12.112 5.093 4.764 494 HB ILE 76 HB ILE 76 -11.069 3.918 2.169 495 HG12 ILE 76 HG12 ILE 76 -12.742 2.555 4.320 496 HG13 ILE 76 HG13 ILE 76 -13.498 3.551 3.092 497 HG21 ILE 76 HG21 ILE 76 -10.368 3.061 5.004 498 HG22 ILE 76 HG22 ILE 76 -10.053 2.090 3.550 499 HG23 ILE 76 HG23 ILE 76 -9.252 3.649 3.749 500 HD11 ILE 76 HD11 ILE 76 -11.943 1.000 2.609 501 HD12 ILE 76 HD12 ILE 76 -13.663 1.339 2.316 502 HD13 ILE 76 HD13 ILE 76 -12.448 2.099 1.303 503 H LEU 77 H LEU 77 -10.010 6.276 2.066 504 HA LEU 77 HA LEU 77 -7.715 6.782 3.731 505 HB2 LEU 77 HB2 LEU 77 -8.700 7.745 1.044 506 HB3 LEU 77 HB3 LEU 77 -7.232 8.412 1.747 507 HG LEU 77 HG LEU 77 -7.659 5.424 1.305 508 HD11 LEU 77 HD11 LEU 77 -6.262 7.486 -0.432 509 HD12 LEU 77 HD12 LEU 77 -7.802 6.687 -0.789 510 HD13 LEU 77 HD13 LEU 77 -6.306 5.727 -0.733 511 HD21 LEU 77 HD21 LEU 77 -5.172 5.315 1.442 512 HD22 LEU 77 HD22 LEU 77 -5.877 5.932 2.946 513 HD23 LEU 77 HD23 LEU 77 -5.130 7.059 1.797 514 H ARG 78 H ARG 78 -10.521 8.781 2.899 515 HA ARG 78 HA ARG 78 -9.672 11.144 4.352 516 HB2 ARG 78 HB2 ARG 78 -12.430 10.093 3.665 517 HB3 ARG 78 HB3 ARG 78 -12.166 11.624 4.504 518 HG2 ARG 78 HG2 ARG 78 -10.955 12.551 2.613 519 HG3 ARG 78 HG3 ARG 78 -10.998 10.995 1.770 520 HD2 ARG 78 HD2 ARG 78 -13.574 11.134 1.999 521 HD3 ARG 78 HD3 ARG 78 -13.344 12.828 2.423 522 HE ARG 78 HE ARG 78 -12.930 11.491 -0.181 523 HH11 ARG 78 HH11 ARG 78 -12.612 14.619 1.449 524 HH12 ARG 78 HH12 ARG 78 -12.310 15.389 -0.110 525 HH21 ARG 78 HH21 ARG 78 -12.418 12.512 -1.927 526 HH22 ARG 78 HH22 ARG 78 -12.316 14.283 -1.942 527 H ALA 79 H ALA 79 -11.398 8.222 5.400 528 HA ALA 79 HA ALA 79 -11.728 9.130 8.133 529 HB1 ALA 79 HB1 ALA 79 -12.485 6.781 8.496 530 HB2 ALA 79 HB2 ALA 79 -13.288 7.574 7.130 531 HB3 ALA 79 HB3 ALA 79 -11.999 6.400 6.828 532 H VAL 80 H VAL 80 -9.031 7.498 6.507 533 HA VAL 80 HA VAL 80 -7.538 7.049 9.006 534 HB VAL 80 HB VAL 80 -6.621 7.260 6.105 535 HG11 VAL 80 HG11 VAL 80 -5.113 6.258 8.558 536 HG12 VAL 80 HG12 VAL 80 -4.550 6.180 6.872 537 HG13 VAL 80 HG13 VAL 80 -4.747 7.741 7.652 538 HG21 VAL 80 HG21 VAL 80 -7.027 4.816 7.882 539 HG22 VAL 80 HG22 VAL 80 -8.069 5.291 6.529 540 HG23 VAL 80 HG23 VAL 80 -6.399 4.819 6.216 541 H GLY 81 H GLY 81 -7.790 9.575 6.502 542 HA2 GLY 81 HA2 GLY 81 -7.575 11.882 6.717 543 HA3 GLY 81 HA3 GLY 81 -7.095 11.683 8.405 544 H ASN 82 H ASN 82 -5.230 9.626 6.659 545 HA ASN 82 HA ASN 82 -3.200 11.416 5.595 546 HB2 ASN 82 HB2 ASN 82 -2.751 11.245 8.129 547 HB3 ASN 82 HB3 ASN 82 -2.480 9.522 7.888 548 HD21 ASN 82 HD21 ASN 82 -0.345 10.015 8.815 549 HD22 ASN 82 HD22 ASN 82 0.897 10.680 7.743 550 H MET 83 H MET 83 -1.203 9.707 5.037 551 HA MET 83 HA MET 83 -2.262 7.533 3.427 552 HB2 MET 83 HB2 MET 83 -0.231 9.097 2.968 553 HB3 MET 83 HB3 MET 83 0.616 8.171 4.196 554 HG2 MET 83 HG2 MET 83 1.294 7.048 2.369 555 HG3 MET 83 HG3 MET 83 -0.165 6.117 2.682 556 HE1 MET 83 HE1 MET 83 -2.260 6.166 1.262 557 HE2 MET 83 HE2 MET 83 -2.609 7.916 1.356 558 HE3 MET 83 HE3 MET 83 -2.526 7.114 -0.221 559 HA PRO 84 HA PRO 84 -1.944 4.907 7.145 560 HB2 PRO 84 HB2 PRO 84 -2.887 2.529 6.128 561 HB3 PRO 84 HB3 PRO 84 -3.934 3.898 6.580 562 HG2 PRO 84 HG2 PRO 84 -3.085 3.017 3.824 563 HG3 PRO 84 HG3 PRO 84 -4.620 3.744 4.364 564 HD2 PRO 84 HD2 PRO 84 -2.548 5.169 3.138 565 HD3 PRO 84 HD3 PRO 84 -3.836 5.901 4.140 566 H TYR 85 H TYR 85 -0.123 4.801 4.410 567 HA TYR 85 HA TYR 85 1.296 2.281 4.703 568 HB2 TYR 85 HB2 TYR 85 1.972 4.667 2.979 569 HB3 TYR 85 HB3 TYR 85 2.414 2.989 2.702 570 HD1 TYR 85 HD2 TYR 85 -0.676 2.066 3.329 571 HD2 TYR 85 HD1 TYR 85 1.213 4.895 0.690 572 HE1 TYR 85 HE2 TYR 85 -2.591 1.903 1.752 573 HE2 TYR 85 HE1 TYR 85 -0.645 4.652 -0.921 574 HH TYR 85 HH TYR 85 -2.590 3.647 -1.397 Start of MODEL 18 1 H ASN 14 H1 ASN 14 -3.769 0.273 -2.565 2 HA ASN 14 HA ASN 14 -3.936 -1.927 -4.508 3 HB2 ASN 14 HB2 ASN 14 -3.322 1.037 -4.932 4 HB3 ASN 14 HB3 ASN 14 -2.979 -0.207 -6.120 5 HD21 ASN 14 HD21 ASN 14 -4.519 -0.034 -7.753 6 HD22 ASN 14 HD22 ASN 14 -6.246 0.074 -7.416 7 HA PRO 15 HA PRO 15 0.421 -2.499 -3.573 8 HB2 PRO 15 HB2 PRO 15 1.458 -3.332 -5.951 9 HB3 PRO 15 HB3 PRO 15 0.398 -4.365 -4.946 10 HG2 PRO 15 HG2 PRO 15 -0.407 -2.653 -7.327 11 HG3 PRO 15 HG3 PRO 15 -0.795 -4.373 -7.015 12 HD2 PRO 15 HD2 PRO 15 -2.522 -2.371 -6.401 13 HD3 PRO 15 HD3 PRO 15 -2.360 -3.818 -5.365 14 H CYS 16 H CYS 16 2.160 -1.134 -3.581 15 HA CYS 16 HA CYS 16 1.545 1.491 -4.717 16 HB2 CYS 16 2HB CYS 16 3.214 0.500 -2.419 17 HB3 CYS 16 3HB CYS 16 3.298 2.176 -2.974 18 H LEU 17 H LEU 17 2.194 0.349 -6.871 19 HA LEU 17 HA LEU 17 4.830 -0.093 -7.604 20 HB2 LEU 17 HB2 LEU 17 2.352 0.668 -9.156 21 HB3 LEU 17 HB3 LEU 17 3.889 0.611 -9.983 22 HG LEU 17 HG LEU 17 2.689 -1.432 -10.322 23 HD11 LEU 17 HD11 LEU 17 5.205 -1.453 -10.189 24 HD12 LEU 17 HD12 LEU 17 4.428 -3.005 -9.866 25 HD13 LEU 17 HD13 LEU 17 5.067 -2.051 -8.520 26 HD21 LEU 17 HD21 LEU 17 2.921 -1.959 -7.336 27 HD22 LEU 17 HD22 LEU 17 2.226 -3.032 -8.565 28 HD23 LEU 17 HD23 LEU 17 1.427 -1.495 -8.198 29 H SER 18 H SER 18 3.395 3.075 -7.229 30 HA SER 18 HA SER 18 5.409 4.557 -8.718 31 HB2 SER 18 HB2 SER 18 3.841 5.401 -6.299 32 HB3 SER 18 HB3 SER 18 4.536 6.490 -7.524 33 HG SER 18 HG SER 18 3.026 5.659 -9.046 34 H GLU 19 H GLU 19 5.118 3.444 -5.321 35 HA GLU 19 HA GLU 19 7.675 4.580 -4.435 36 HB2 GLU 19 HB2 GLU 19 5.943 2.352 -3.274 37 HB3 GLU 19 HB3 GLU 19 7.342 3.029 -2.492 38 HG2 GLU 19 HG2 GLU 19 4.880 4.686 -3.200 39 HG3 GLU 19 HG3 GLU 19 5.058 3.807 -1.690 40 H SER 20 H SER 20 6.456 1.571 -5.873 41 HA SER 20 HA SER 20 8.897 0.054 -5.618 42 HB2 SER 20 HB2 SER 20 6.877 -0.235 -7.855 43 HB3 SER 20 HB3 SER 20 8.110 -1.396 -7.371 44 HG SER 20 HG SER 20 7.149 -1.631 -5.393 45 H ASP 21 H ASP 21 7.726 2.054 -8.407 46 HA ASP 21 HA ASP 21 10.113 1.856 -9.943 47 HB2 ASP 21 HB2 ASP 21 8.022 4.037 -9.713 48 HB3 ASP 21 HB3 ASP 21 9.366 4.117 -10.852 49 H ALA 22 H ALA 22 9.234 4.337 -7.448 50 HA ALA 22 HA ALA 22 11.595 5.869 -7.795 51 HB1 ALA 22 HB1 ALA 22 9.583 6.679 -6.698 52 HB2 ALA 22 HB2 ALA 22 9.787 5.518 -5.376 53 HB3 ALA 22 HB3 ALA 22 10.970 6.839 -5.610 54 H SER 23 H SER 23 10.995 3.181 -5.473 55 HA SER 23 HA SER 23 13.724 3.014 -4.587 56 HB2 SER 23 HB2 SER 23 13.199 0.610 -4.033 57 HB3 SER 23 HB3 SER 23 12.298 1.878 -3.234 58 HG SER 23 HG SER 23 10.554 1.491 -4.692 59 H THR 24 H THR 24 12.169 1.427 -7.443 60 HA THR 24 HA THR 24 14.441 -0.136 -8.203 61 HB THR 24 HB THR 24 12.215 1.094 -9.868 62 HG1 THR 24 HG1 THR 24 11.194 -0.692 -9.498 63 HG21 THR 24 HG21 THR 24 14.073 -1.193 -10.611 64 HG22 THR 24 HG22 THR 24 14.066 0.422 -11.373 65 HG23 THR 24 HG23 THR 24 12.663 -0.638 -11.534 66 H ARG 25 H ARG 25 13.562 3.233 -8.992 67 HA ARG 25 HA ARG 25 15.929 3.923 -10.511 68 HB2 ARG 25 HB2 ARG 25 13.821 5.542 -9.026 69 HB3 ARG 25 HB3 ARG 25 15.316 6.295 -9.558 70 HG2 ARG 25 HG2 ARG 25 13.907 6.779 -11.294 71 HG3 ARG 25 HG3 ARG 25 14.829 5.410 -11.908 72 HD2 ARG 25 HD2 ARG 25 12.914 3.910 -11.314 73 HD3 ARG 25 HD3 ARG 25 12.008 5.316 -10.732 74 HE ARG 25 HE ARG 25 12.750 4.691 -13.558 75 HH11 ARG 25 HH11 ARG 25 11.101 7.082 -11.525 76 HH12 ARG 25 HH12 ARG 25 10.056 7.524 -12.869 77 HH21 ARG 25 HH21 ARG 25 11.768 5.543 -15.113 78 HH22 ARG 25 HH22 ARG 25 10.774 6.975 -14.937 79 H CYS 26 H CYS 26 15.185 4.228 -7.001 80 HA CYS 26 HA CYS 26 17.668 5.325 -6.236 81 HB2 CYS 26 2HB CYS 26 15.890 5.262 -4.650 82 HB3 CYS 26 3HB CYS 26 15.725 3.510 -4.797 83 H LEU 27 H LEU 27 16.797 1.861 -6.444 84 HA LEU 27 HA LEU 27 19.384 0.899 -5.605 85 HB2 LEU 27 HB2 LEU 27 16.898 -0.243 -6.897 86 HB3 LEU 27 HB3 LEU 27 18.370 -1.222 -6.838 87 HG LEU 27 HG LEU 27 18.518 -1.208 -4.583 88 HD11 LEU 27 HD11 LEU 27 17.108 -0.201 -2.900 89 HD12 LEU 27 HD12 LEU 27 16.320 0.793 -4.140 90 HD13 LEU 27 HD13 LEU 27 18.052 0.995 -3.777 91 HD21 LEU 27 HD21 LEU 27 16.438 -2.314 -3.877 92 HD22 LEU 27 HD22 LEU 27 16.605 -2.579 -5.625 93 HD23 LEU 27 HD23 LEU 27 15.497 -1.343 -5.032 94 H ASP 28 H ASP 28 17.998 1.478 -8.739 95 HA ASP 28 HA ASP 28 20.305 0.924 -10.362 96 HB2 ASP 28 HB2 ASP 28 18.021 1.136 -11.198 97 HB3 ASP 28 HB3 ASP 28 17.991 2.844 -10.791 98 H GLU 29 H GLU 29 19.496 3.890 -8.504 99 HA GLU 29 HA GLU 29 21.580 5.578 -9.575 100 HB2 GLU 29 HB2 GLU 29 19.410 5.720 -7.623 101 HB3 GLU 29 HB3 GLU 29 20.814 6.374 -6.892 102 HG2 GLU 29 HG2 GLU 29 20.028 7.301 -9.669 103 HG3 GLU 29 HG3 GLU 29 19.120 7.845 -8.268 104 H ASN 30 H ASN 30 21.263 3.909 -6.441 105 HA ASN 30 HA ASN 30 24.098 4.540 -5.807 106 HB2 ASN 30 HB2 ASN 30 23.195 4.714 -3.456 107 HB3 ASN 30 HB3 ASN 30 22.641 5.942 -4.585 108 HD21 ASN 30 HD21 ASN 30 21.585 2.659 -3.691 109 HD22 ASN 30 HD22 ASN 30 19.856 3.062 -3.809 110 H ASN 31 H ASN 31 24.061 2.291 -7.079 111 HA ASN 31 HA ASN 31 24.596 0.059 -7.005 112 HB2 ASN 31 HB2 ASN 31 26.114 1.188 -4.625 113 HB3 ASN 31 HB3 ASN 31 26.489 -0.319 -5.452 114 HD21 ASN 31 HD21 ASN 31 28.612 0.830 -5.627 115 HD22 ASN 31 HD22 ASN 31 28.817 1.940 -6.985 116 H TYR 32 H TYR 32 22.131 -0.009 -6.234 117 HA TYR 32 HA TYR 32 20.557 -1.125 -5.148 118 HB2 TYR 32 HB2 TYR 32 22.401 -2.815 -6.201 119 HB3 TYR 32 HB3 TYR 32 22.271 -3.470 -4.592 120 HD1 TYR 32 HD1 TYR 32 19.687 -3.706 -3.737 121 HD2 TYR 32 HD2 TYR 32 20.946 -3.521 -7.853 122 HE1 TYR 32 HE1 TYR 32 17.569 -4.787 -4.432 123 HE2 TYR 32 HE2 TYR 32 18.857 -4.712 -8.539 124 HH TYR 32 HH TYR 32 16.258 -5.411 -6.211 125 H ASP 33 H ASP 33 21.381 0.687 -3.349 126 HA ASP 33 HA ASP 33 21.760 -0.451 -0.715 127 HB2 ASP 33 HB2 ASP 33 22.513 1.856 -1.404 128 HB3 ASP 33 HB3 ASP 33 20.826 2.369 -1.287 129 H ARG 34 H ARG 34 20.060 -1.953 -1.293 130 HA ARG 34 HA ARG 34 17.272 -1.448 -0.838 131 HB2 ARG 34 HB2 ARG 34 17.077 -3.837 -0.575 132 HB3 ARG 34 HB3 ARG 34 18.180 -3.478 -1.899 133 HG2 ARG 34 HG2 ARG 34 20.127 -3.917 -0.343 134 HG3 ARG 34 HG3 ARG 34 18.960 -4.338 0.931 135 HD2 ARG 34 HD2 ARG 34 17.994 -6.047 -0.648 136 HD3 ARG 34 HD3 ARG 34 19.355 -5.734 -1.744 137 HE ARG 34 HE ARG 34 20.724 -6.307 0.484 138 HH11 ARG 34 HH11 ARG 34 18.007 -8.044 -0.907 139 HH12 ARG 34 HH12 ARG 34 18.244 -9.441 0.120 140 HH21 ARG 34 HH21 ARG 34 21.195 -8.248 1.482 141 HH22 ARG 34 HH22 ARG 34 20.101 -9.602 1.309 142 H GLU 35 H GLU 35 19.608 -0.795 1.427 143 HA GLU 35 HA GLU 35 17.800 -1.534 3.706 144 HB2 GLU 35 HB2 GLU 35 20.733 -0.822 3.766 145 HB3 GLU 35 HB3 GLU 35 19.692 -1.040 5.180 146 HG2 GLU 35 HG2 GLU 35 19.097 -3.351 4.276 147 HG3 GLU 35 HG3 GLU 35 20.383 -3.145 3.087 148 H ARG 36 H ARG 36 19.556 1.337 2.308 149 HA ARG 36 HA ARG 36 17.864 3.182 3.865 150 HB2 ARG 36 HB2 ARG 36 19.605 3.526 1.405 151 HB3 ARG 36 HB3 ARG 36 18.452 4.765 1.911 152 HG2 ARG 36 HG2 ARG 36 19.473 4.649 4.245 153 HG3 ARG 36 HG3 ARG 36 20.790 3.694 3.526 154 HD2 ARG 36 HD2 ARG 36 21.214 5.546 1.930 155 HD3 ARG 36 HD3 ARG 36 19.861 6.457 2.633 156 HE ARG 36 HE ARG 36 21.553 5.898 4.785 157 HH11 ARG 36 HH11 ARG 36 21.633 7.871 1.874 158 HH12 ARG 36 HH12 ARG 36 23.063 8.729 2.401 159 HH21 ARG 36 HH21 ARG 36 23.211 7.249 5.495 160 HH22 ARG 36 HH22 ARG 36 23.656 8.615 4.495 161 H CYS 37 H CYS 37 17.665 1.919 0.517 162 HA CYS 37 HA CYS 37 14.921 2.981 0.323 163 HB2 CYS 37 2HB CYS 37 16.793 1.721 -1.655 164 HB3 CYS 37 3HB CYS 37 15.106 2.091 -2.049 165 H SER 38 H SER 38 15.613 0.764 2.199 166 HA SER 38 HA SER 38 13.615 -1.299 1.592 167 HB2 SER 38 HB2 SER 38 13.669 -1.736 3.971 168 HB3 SER 38 HB3 SER 38 15.327 -1.647 3.379 169 HG SER 38 HG SER 38 15.645 0.189 4.463 170 H THR 39 H THR 39 13.649 2.075 2.729 171 HA THR 39 HA THR 39 11.288 2.431 4.090 172 HB THR 39 HB THR 39 11.186 4.695 2.885 173 HG1 THR 39 HG1 THR 39 12.836 5.146 1.497 174 HG21 THR 39 HG21 THR 39 13.437 5.422 3.767 175 HG22 THR 39 HG22 THR 39 13.772 3.726 4.165 176 HG23 THR 39 HG23 THR 39 12.413 4.564 4.939 177 H TYR 40 H TYR 40 11.569 2.563 0.592 178 HA TYR 40 HA TYR 40 8.828 2.800 -0.085 179 HB2 TYR 40 HB2 TYR 40 11.060 1.411 -1.595 180 HB3 TYR 40 HB3 TYR 40 9.563 1.997 -2.296 181 HD1 TYR 40 HD2 TYR 40 12.808 3.044 -0.781 182 HD2 TYR 40 HD1 TYR 40 9.250 4.342 -2.817 183 HE1 TYR 40 HE2 TYR 40 13.890 5.234 -1.315 184 HE2 TYR 40 HE1 TYR 40 10.335 6.498 -3.357 185 HH TYR 40 HH TYR 40 12.143 7.841 -2.988 186 H PHE 41 H PHE 41 10.806 -0.199 0.298 187 HA PHE 41 HA PHE 41 8.649 -1.946 -0.506 188 HB2 PHE 41 HB2 PHE 41 11.073 -2.465 -0.755 189 HB3 PHE 41 HB3 PHE 41 11.229 -2.530 0.990 190 HD1 PHE 41 HD2 PHE 41 8.424 -3.997 -1.109 191 HD2 PHE 41 HD1 PHE 41 11.965 -4.744 1.238 192 HE1 PHE 41 HE2 PHE 41 7.983 -6.419 -1.224 193 HE2 PHE 41 HE1 PHE 41 11.525 -7.195 1.097 194 HZ PHE 41 HZ PHE 41 9.538 -8.024 -0.151 195 H LEU 42 H LEU 42 9.813 -0.688 2.577 196 HA LEU 42 HA LEU 42 8.066 -2.191 4.289 197 HB2 LEU 42 HB2 LEU 42 10.010 -1.174 5.238 198 HB3 LEU 42 HB3 LEU 42 9.676 0.377 4.484 199 HG LEU 42 HG LEU 42 7.830 0.820 6.015 200 HD11 LEU 42 HD11 LEU 42 8.573 -1.832 7.320 201 HD12 LEU 42 HD12 LEU 42 7.057 -1.462 6.472 202 HD13 LEU 42 HD13 LEU 42 7.444 -0.628 7.981 203 HD21 LEU 42 HD21 LEU 42 10.397 -0.078 7.398 204 HD22 LEU 42 HD22 LEU 42 9.195 1.034 8.076 205 HD23 LEU 42 HD23 LEU 42 10.112 1.502 6.633 206 H ARG 43 H ARG 43 7.761 1.124 2.971 207 HA ARG 43 HA ARG 43 5.030 1.534 3.690 208 HB2 ARG 43 HB2 ARG 43 6.755 2.533 1.409 209 HB3 ARG 43 HB3 ARG 43 5.076 3.067 1.658 210 HG2 ARG 43 HG2 ARG 43 5.550 4.015 3.758 211 HG3 ARG 43 HG3 ARG 43 7.108 3.191 3.872 212 HD2 ARG 43 HD2 ARG 43 7.354 5.626 3.451 213 HD3 ARG 43 HD3 ARG 43 8.109 4.610 2.230 214 HE ARG 43 HE ARG 43 6.714 5.438 0.609 215 HH11 ARG 43 HH11 ARG 43 5.394 6.607 3.707 216 HH12 ARG 43 HH12 ARG 43 4.340 7.711 2.836 217 HH21 ARG 43 HH21 ARG 43 5.378 7.006 -0.276 218 HH22 ARG 43 HH22 ARG 43 4.340 7.926 0.815 219 H TYR 44 H TYR 44 6.399 -0.325 1.041 220 HA TYR 44 HA TYR 44 3.865 -0.703 -0.342 221 HB2 TYR 44 HB2 TYR 44 6.039 -0.829 -1.467 222 HB3 TYR 44 HB3 TYR 44 6.447 -2.278 -0.555 223 HD1 TYR 44 HD1 TYR 44 4.841 -4.330 -0.839 224 HD2 TYR 44 HD2 TYR 44 5.153 -1.034 -3.588 225 HE1 TYR 44 HE1 TYR 44 3.913 -5.765 -2.661 226 HE2 TYR 44 HE2 TYR 44 4.289 -2.482 -5.425 227 HH TYR 44 HH TYR 44 3.730 -4.677 -6.037 228 H LYS 45 H LYS 45 5.752 -2.848 1.908 229 HA LYS 45 HA LYS 45 3.611 -4.793 2.139 230 HB2 LYS 45 HB2 LYS 45 5.954 -4.168 3.975 231 HB3 LYS 45 HB3 LYS 45 4.752 -5.428 4.286 232 HG2 LYS 45 HG2 LYS 45 5.310 -6.368 1.952 233 HG3 LYS 45 HG3 LYS 45 6.709 -5.294 1.964 234 HD2 LYS 45 HD2 LYS 45 7.497 -6.404 4.075 235 HD3 LYS 45 HD3 LYS 45 6.103 -7.488 4.011 236 HE2 LYS 45 HE2 LYS 45 6.843 -8.460 1.915 237 HE3 LYS 45 HE3 LYS 45 8.103 -7.233 1.733 238 HZ1 LYS 45 HZ1 LYS 45 8.972 -9.370 2.540 239 HZ2 LYS 45 HZ2 LYS 45 8.095 -9.220 3.942 240 HZ3 LYS 45 HZ3 LYS 45 9.284 -8.156 3.579 241 H ASN 46 H ASN 46 4.130 -1.666 3.780 242 HA ASN 46 HA ASN 46 1.886 -2.014 5.568 243 HB2 ASN 46 HB2 ASN 46 2.940 0.612 4.455 244 HB3 ASN 46 HB3 ASN 46 1.955 0.400 5.884 245 HD21 ASN 46 HD21 ASN 46 4.365 1.771 5.772 246 HD22 ASN 46 HD22 ASN 46 5.641 0.885 6.585 247 H CYS 47 H CYS 47 2.074 -0.659 2.184 248 HA CYS 47 HA CYS 47 -0.659 0.065 1.939 249 HB2 CYS 47 2HB CYS 47 1.164 -1.116 -0.221 250 HB3 CYS 47 3HB CYS 47 -0.350 -0.280 -0.479 251 H ARG 48 H ARG 48 1.022 -2.980 1.103 252 HA ARG 48 HA ARG 48 -1.265 -4.489 0.407 253 HB2 ARG 48 HB2 ARG 48 1.461 -5.292 1.502 254 HB3 ARG 48 HB3 ARG 48 0.280 -6.470 0.943 255 HG2 ARG 48 HG2 ARG 48 0.999 -4.206 -0.926 256 HG3 ARG 48 HG3 ARG 48 2.196 -5.462 -0.659 257 HD2 ARG 48 HD2 ARG 48 -0.676 -6.122 -1.457 258 HD3 ARG 48 HD3 ARG 48 0.618 -5.833 -2.635 259 HE ARG 48 HE ARG 48 1.687 -7.714 -0.880 260 HH11 ARG 48 HH11 ARG 48 -1.178 -7.880 -2.950 261 HH12 ARG 48 HH12 ARG 48 -0.988 -9.620 -3.097 262 HH21 ARG 48 HH21 ARG 48 1.847 -9.732 -1.156 263 HH22 ARG 48 HH22 ARG 48 0.731 -10.655 -2.177 264 H ARG 49 H ARG 49 0.404 -4.444 3.604 265 HA ARG 49 HA ARG 49 -1.442 -6.152 4.892 266 HB2 ARG 49 HB2 ARG 49 0.808 -5.589 5.755 267 HB3 ARG 49 HB3 ARG 49 0.260 -3.938 6.104 268 HG2 ARG 49 HG2 ARG 49 -1.406 -4.858 7.725 269 HG3 ARG 49 HG3 ARG 49 -0.876 -6.493 7.327 270 HD2 ARG 49 HD2 ARG 49 0.100 -5.804 9.424 271 HD3 ARG 49 HD3 ARG 49 1.367 -5.992 8.218 272 HE ARG 49 HE ARG 49 0.319 -3.456 9.389 273 HH11 ARG 49 HH11 ARG 49 2.828 -4.989 7.447 274 HH12 ARG 49 HH12 ARG 49 3.772 -3.534 7.379 275 HH21 ARG 49 HH21 ARG 49 1.553 -1.614 9.171 276 HH22 ARG 49 HH22 ARG 49 3.029 -1.668 8.208 277 H PHE 50 H PHE 50 -1.531 -2.582 4.668 278 HA PHE 50 HA PHE 50 -3.834 -2.184 6.315 279 HB2 PHE 50 HB2 PHE 50 -2.342 -0.370 5.476 280 HB3 PHE 50 HB3 PHE 50 -2.922 -0.616 3.855 281 HD1 PHE 50 HD2 PHE 50 -4.029 0.303 7.314 282 HD2 PHE 50 HD1 PHE 50 -4.938 0.420 3.111 283 HE1 PHE 50 HE2 PHE 50 -6.018 1.714 7.784 284 HE2 PHE 50 HE1 PHE 50 -6.915 1.845 3.572 285 HZ PHE 50 HZ PHE 50 -7.475 2.466 5.921 286 H TRP 51 H TRP 51 -3.626 -2.354 2.740 287 HA TRP 51 HA TRP 51 -6.481 -2.408 2.526 288 HB2 TRP 51 HB2 TRP 51 -4.292 -2.907 0.533 289 HB3 TRP 51 HB3 TRP 51 -6.001 -2.889 0.104 290 HD1 TRP 51 HD1 TRP 51 -3.122 -0.604 0.275 291 HE1 TRP 51 HE1 TRP 51 -3.875 1.794 -0.128 292 HE3 TRP 51 HE3 TRP 51 -8.126 -1.093 1.318 293 HZ2 TRP 51 HZ2 TRP 51 -6.176 3.399 0.396 294 HZ3 TRP 51 HZ3 TRP 51 -9.553 0.946 1.435 295 HH2 TRP 51 HH2 TRP 51 -8.571 3.199 1.032 296 H ASN 52 H ASN 52 -4.209 -5.141 2.757 297 HA ASN 52 HA ASN 52 -6.068 -7.270 2.258 298 HB2 ASN 52 HB2 ASN 52 -3.523 -7.324 2.656 299 HB3 ASN 52 HB3 ASN 52 -3.841 -7.211 4.358 300 HD21 ASN 52 HD21 ASN 52 -2.655 -9.280 4.447 301 HD22 ASN 52 HD22 ASN 52 -3.524 -10.751 4.022 302 H SER 53 H SER 53 -5.221 -5.458 5.161 303 HA SER 53 HA SER 53 -7.034 -6.823 6.940 304 HB2 SER 53 HB2 SER 53 -5.901 -4.036 7.301 305 HB3 SER 53 HB3 SER 53 -6.599 -5.088 8.547 306 HG SER 53 HG SER 53 -4.244 -5.455 7.022 307 H ILE 54 H ILE 54 -7.466 -3.885 4.945 308 HA ILE 54 HA ILE 54 -10.186 -3.355 5.771 309 HB ILE 54 HB ILE 54 -8.569 -2.683 3.290 310 HG12 ILE 54 HG12 ILE 54 -7.720 -1.624 5.328 311 HG13 ILE 54 HG13 ILE 54 -8.366 -0.458 4.203 312 HG21 ILE 54 HG21 ILE 54 -10.256 -0.955 2.788 313 HG22 ILE 54 HG22 ILE 54 -10.853 -2.595 2.558 314 HG23 ILE 54 HG23 ILE 54 -11.340 -1.677 4.000 315 HD11 ILE 54 HD11 ILE 54 -9.741 -1.453 6.741 316 HD12 ILE 54 HD12 ILE 54 -8.957 0.114 6.510 317 HD13 ILE 54 HD13 ILE 54 -10.433 -0.265 5.608 318 H VAL 55 H VAL 55 -8.770 -5.322 3.157 319 HA VAL 55 HA VAL 55 -11.177 -6.346 2.034 320 HB VAL 55 HB VAL 55 -8.348 -7.366 2.223 321 HG11 VAL 55 HG11 VAL 55 -9.599 -9.455 2.266 322 HG12 VAL 55 HG12 VAL 55 -10.608 -8.907 0.912 323 HG13 VAL 55 HG13 VAL 55 -8.876 -9.196 0.678 324 HG21 VAL 55 HG21 VAL 55 -10.093 -6.667 -0.137 325 HG22 VAL 55 HG22 VAL 55 -9.029 -5.513 0.692 326 HG23 VAL 55 HG23 VAL 55 -8.335 -6.929 -0.112 327 H MET 56 H MET 56 -9.279 -7.674 4.842 328 HA MET 56 HA MET 56 -11.212 -9.664 5.522 329 HB2 MET 56 HB2 MET 56 -9.350 -8.100 7.352 330 HB3 MET 56 HB3 MET 56 -10.352 -9.450 7.860 331 HG2 MET 56 HG2 MET 56 -9.223 -10.870 6.120 332 HG3 MET 56 HG3 MET 56 -8.095 -9.549 5.833 333 HE1 MET 56 HE1 MET 56 -7.464 -8.370 8.748 334 HE2 MET 56 HE2 MET 56 -6.095 -9.385 9.233 335 HE3 MET 56 HE3 MET 56 -6.197 -8.791 7.564 336 H GLN 57 H GLN 57 -11.140 -6.197 6.442 337 HA GLN 57 HA GLN 57 -13.464 -6.400 8.162 338 HB2 GLN 57 HB2 GLN 57 -12.428 -3.871 6.834 339 HB3 GLN 57 HB3 GLN 57 -13.545 -3.992 8.177 340 HG2 GLN 57 HG2 GLN 57 -10.597 -4.163 8.168 341 HG3 GLN 57 HG3 GLN 57 -11.673 -3.431 9.318 342 HE21 GLN 57 HE21 GLN 57 -9.577 -6.002 8.836 343 HE22 GLN 57 HE22 GLN 57 -10.045 -6.925 10.281 344 H ARG 58 H ARG 58 -13.181 -6.002 4.669 345 HA ARG 58 HA ARG 58 -16.120 -5.593 4.365 346 HB2 ARG 58 HB2 ARG 58 -13.771 -5.923 2.465 347 HB3 ARG 58 HB3 ARG 58 -15.401 -6.263 1.904 348 HG2 ARG 58 HG2 ARG 58 -14.814 -4.021 1.301 349 HG3 ARG 58 HG3 ARG 58 -16.151 -4.010 2.462 350 HD2 ARG 58 HD2 ARG 58 -14.442 -3.491 4.251 351 HD3 ARG 58 HD3 ARG 58 -13.234 -3.312 2.963 352 HE ARG 58 HE ARG 58 -15.226 -1.602 2.133 353 HH11 ARG 58 HH11 ARG 58 -13.738 -1.946 5.276 354 HH12 ARG 58 HH12 ARG 58 -14.175 -0.337 5.756 355 HH21 ARG 58 HH21 ARG 58 -15.744 0.469 2.863 356 HH22 ARG 58 HH22 ARG 58 -15.084 1.013 4.411 357 H ARG 59 H ARG 59 -13.807 -8.202 4.133 358 HA ARG 59 HA ARG 59 -15.648 -10.089 2.999 359 HB2 ARG 59 HB2 ARG 59 -13.247 -10.046 2.572 360 HB3 ARG 59 HB3 ARG 59 -12.915 -10.583 4.224 361 HG2 ARG 59 HG2 ARG 59 -13.883 -12.723 3.806 362 HG3 ARG 59 HG3 ARG 59 -14.691 -12.166 2.337 363 HD2 ARG 59 HD2 ARG 59 -12.427 -11.811 1.285 364 HD3 ARG 59 HD3 ARG 59 -11.693 -12.583 2.699 365 HE ARG 59 HE ARG 59 -13.765 -14.283 1.732 366 HH11 ARG 59 HH11 ARG 59 -10.611 -13.256 0.331 367 HH12 ARG 59 HH12 ARG 59 -10.641 -14.708 -0.640 368 HH21 ARG 59 HH21 ARG 59 -13.579 -15.936 0.380 369 HH22 ARG 59 HH22 ARG 59 -12.157 -16.068 -0.655 370 H LYS 60 H LYS 60 -15.234 -9.244 6.298 371 HA LYS 60 HA LYS 60 -16.470 -11.438 7.597 372 HB2 LYS 60 HB2 LYS 60 -17.109 -9.894 9.279 373 HB3 LYS 60 HB3 LYS 60 -15.547 -9.359 8.643 374 HG2 LYS 60 HG2 LYS 60 -16.813 -7.683 7.222 375 HG3 LYS 60 HG3 LYS 60 -18.293 -8.168 8.076 376 HD2 LYS 60 HD2 LYS 60 -17.246 -7.532 10.241 377 HD3 LYS 60 HD3 LYS 60 -15.793 -6.998 9.358 378 HE2 LYS 60 HE2 LYS 60 -17.244 -5.434 8.030 379 HE3 LYS 60 HE3 LYS 60 -18.623 -5.910 9.017 380 HZ1 LYS 60 HZ1 LYS 60 -17.482 -3.824 9.763 381 HZ2 LYS 60 HZ2 LYS 60 -16.155 -4.705 10.144 382 HZ3 LYS 60 HZ3 LYS 60 -17.553 -4.981 10.932 383 H ASN 61 H ASN 61 -17.955 -9.151 5.339 384 HA ASN 61 HA ASN 61 -20.658 -10.137 5.900 385 HB2 ASN 61 HB2 ASN 61 -19.677 -8.273 3.739 386 HB3 ASN 61 HB3 ASN 61 -21.348 -8.543 4.229 387 HD21 ASN 61 HD21 ASN 61 -18.377 -6.984 5.000 388 HD22 ASN 61 HD22 ASN 61 -19.051 -5.932 6.254 389 H GLY 62 H GLY 62 -18.068 -11.102 3.855 390 HA2 GLY 62 HA2 GLY 62 -17.780 -12.926 2.530 391 HA3 GLY 62 HA3 GLY 62 -19.391 -13.450 3.013 392 H VAL 63 H VAL 63 -19.610 -10.474 1.440 393 HA VAL 63 HA VAL 63 -20.880 -11.907 -0.829 394 HB VAL 63 HB VAL 63 -22.278 -11.174 0.989 395 HG11 VAL 63 HG11 VAL 63 -21.549 -8.291 0.358 396 HG12 VAL 63 HG12 VAL 63 -22.690 -8.885 1.572 397 HG13 VAL 63 HG13 VAL 63 -20.973 -9.201 1.777 398 HG21 VAL 63 HG21 VAL 63 -22.806 -9.527 -1.494 399 HG22 VAL 63 HG22 VAL 63 -23.187 -11.247 -1.293 400 HG23 VAL 63 HG23 VAL 63 -23.997 -10.040 -0.281 401 H LYS 64 H LYS 64 -19.226 -8.784 -0.227 402 HA LYS 64 HA LYS 64 -19.762 -7.896 -2.981 403 HB2 LYS 64 HB2 LYS 64 -19.041 -5.784 -2.254 404 HB3 LYS 64 HB3 LYS 64 -19.936 -6.440 -0.916 405 HG2 LYS 64 HG2 LYS 64 -18.033 -6.644 0.446 406 HG3 LYS 64 HG3 LYS 64 -16.938 -6.834 -0.902 407 HD2 LYS 64 HD2 LYS 64 -16.472 -4.685 -0.074 408 HD3 LYS 64 HD3 LYS 64 -17.371 -4.441 -1.565 409 HE2 LYS 64 HE2 LYS 64 -19.475 -4.234 -0.081 410 HE3 LYS 64 HE3 LYS 64 -18.378 -4.137 1.293 411 HZ1 LYS 64 HZ1 LYS 64 -18.938 -1.918 0.475 412 HZ2 LYS 64 HZ2 LYS 64 -18.412 -2.267 -1.031 413 HZ3 LYS 64 HZ3 LYS 64 -17.348 -2.163 0.216 414 HA PRO 65 HA PRO 65 -15.442 -8.470 -4.499 415 HB2 PRO 65 HB2 PRO 65 -14.863 -6.059 -5.632 416 HB3 PRO 65 HB3 PRO 65 -15.935 -7.264 -6.417 417 HG2 PRO 65 HG2 PRO 65 -16.799 -4.884 -4.742 418 HG3 PRO 65 HG3 PRO 65 -17.339 -5.334 -6.387 419 HD2 PRO 65 HD2 PRO 65 -18.777 -6.073 -4.256 420 HD3 PRO 65 HD3 PRO 65 -18.526 -7.227 -5.583 421 H PHE 66 H PHE 66 -14.020 -8.546 -2.820 422 HA PHE 66 HA PHE 66 -14.445 -6.868 -0.536 423 HB2 PHE 66 HB2 PHE 66 -12.165 -8.797 -1.088 424 HB3 PHE 66 HB3 PHE 66 -12.667 -8.171 0.465 425 HD1 PHE 66 HD1 PHE 66 -15.486 -8.503 0.708 426 HD2 PHE 66 HD2 PHE 66 -12.722 -11.031 -1.422 427 HE1 PHE 66 HE1 PHE 66 -17.083 -10.383 0.872 428 HE2 PHE 66 HE2 PHE 66 -14.313 -12.932 -1.220 429 HZ PHE 66 HZ PHE 66 -16.489 -12.620 -0.078 430 H MET 67 H MET 67 -11.777 -7.045 -2.841 431 HA MET 67 HA MET 67 -10.191 -4.910 -1.870 432 HB2 MET 67 HB2 MET 67 -10.630 -6.133 -4.589 433 HB3 MET 67 HB3 MET 67 -9.720 -4.628 -4.457 434 HG2 MET 67 HG2 MET 67 -9.062 -7.145 -2.894 435 HG3 MET 67 HG3 MET 67 -8.280 -6.640 -4.392 436 HE1 MET 67 HE1 MET 67 -6.730 -7.387 -1.761 437 HE2 MET 67 HE2 MET 67 -5.905 -6.867 -3.248 438 HE3 MET 67 HE3 MET 67 -5.497 -6.109 -1.695 439 HA PRO 68 HA PRO 68 -13.364 -1.881 -2.257 440 HB2 PRO 68 HB2 PRO 68 -12.060 0.368 -1.327 441 HB3 PRO 68 HB3 PRO 68 -12.669 -0.971 -0.306 442 HG2 PRO 68 HG2 PRO 68 -9.861 -0.545 -1.358 443 HG3 PRO 68 HG3 PRO 68 -10.385 -0.999 0.297 444 HD2 PRO 68 HD2 PRO 68 -9.521 -2.864 -1.482 445 HD3 PRO 68 HD3 PRO 68 -10.855 -3.206 -0.342 446 H THR 69 H THR 69 -14.171 -0.254 -3.524 447 HA THR 69 HA THR 69 -12.880 0.343 -6.064 448 HB THR 69 HB THR 69 -15.126 1.354 -6.526 449 HG1 THR 69 HG1 THR 69 -16.711 1.048 -4.886 450 HG21 THR 69 HG21 THR 69 -15.374 -1.423 -5.242 451 HG22 THR 69 HG22 THR 69 -14.786 -1.112 -6.887 452 HG23 THR 69 HG23 THR 69 -16.454 -0.717 -6.444 453 H ALA 70 H ALA 70 -13.184 2.725 -6.864 454 HA ALA 70 HA ALA 70 -11.284 4.196 -5.442 455 HB1 ALA 70 HB1 ALA 70 -13.308 5.232 -7.469 456 HB2 ALA 70 HB2 ALA 70 -11.844 6.081 -6.944 457 HB3 ALA 70 HB3 ALA 70 -11.704 4.550 -7.810 458 H ALA 71 H ALA 71 -14.855 4.686 -5.205 459 HA ALA 71 HA ALA 71 -14.596 6.890 -3.362 460 HB1 ALA 71 HB1 ALA 71 -16.984 5.085 -3.897 461 HB2 ALA 71 HB2 ALA 71 -17.005 6.701 -3.167 462 HB3 ALA 71 HB3 ALA 71 -16.539 6.516 -4.865 463 H GLU 72 H GLU 72 -14.787 3.381 -2.849 464 HA GLU 72 HA GLU 72 -15.232 3.450 0.023 465 HB2 GLU 72 HB2 GLU 72 -14.250 1.366 -1.942 466 HB3 GLU 72 HB3 GLU 72 -14.035 1.135 -0.220 467 HG2 GLU 72 HG2 GLU 72 -16.794 1.870 -0.768 468 HG3 GLU 72 HG3 GLU 72 -16.305 0.506 -1.769 469 H ARG 73 H ARG 73 -12.395 2.984 -2.122 470 HA ARG 73 HA ARG 73 -10.305 3.138 -0.243 471 HB2 ARG 73 HB2 ARG 73 -10.538 4.106 -3.120 472 HB3 ARG 73 HB3 ARG 73 -9.030 4.196 -2.211 473 HG2 ARG 73 HG2 ARG 73 -8.857 1.838 -2.014 474 HG3 ARG 73 HG3 ARG 73 -10.514 1.567 -2.539 475 HD2 ARG 73 HD2 ARG 73 -8.677 1.053 -4.259 476 HD3 ARG 73 HD3 ARG 73 -10.068 1.995 -4.784 477 HE ARG 73 HE ARG 73 -8.616 3.633 -5.418 478 HH11 ARG 73 HH11 ARG 73 -6.788 1.758 -3.109 479 HH12 ARG 73 HH12 ARG 73 -5.547 2.971 -2.985 480 HH21 ARG 73 HH21 ARG 73 -7.128 5.213 -5.076 481 HH22 ARG 73 HH22 ARG 73 -5.721 4.885 -4.099 482 H ASP 74 H ASP 74 -11.910 5.861 -1.905 483 HA ASP 74 HA ASP 74 -10.457 7.958 -0.691 484 HB2 ASP 74 HB2 ASP 74 -11.929 8.195 -2.643 485 HB3 ASP 74 HB3 ASP 74 -13.346 7.879 -1.655 486 H GLU 75 H GLU 75 -13.680 6.629 0.443 487 HA GLU 75 HA GLU 75 -13.639 8.357 2.754 488 HB2 GLU 75 HB2 GLU 75 -15.509 7.195 3.537 489 HB3 GLU 75 HB3 GLU 75 -15.715 7.446 1.817 490 HG2 GLU 75 HG2 GLU 75 -15.201 5.093 1.380 491 HG3 GLU 75 HG3 GLU 75 -14.818 4.798 3.076 492 H ILE 76 H ILE 76 -12.339 5.144 2.242 493 HA ILE 76 HA ILE 76 -11.837 4.494 5.016 494 HB ILE 76 HB ILE 76 -10.742 3.495 2.371 495 HG12 ILE 76 HG12 ILE 76 -12.486 1.962 4.341 496 HG13 ILE 76 HG13 ILE 76 -13.215 3.086 3.217 497 HG21 ILE 76 HG21 ILE 76 -10.161 2.459 5.169 498 HG22 ILE 76 HG22 ILE 76 -9.806 1.564 3.681 499 HG23 ILE 76 HG23 ILE 76 -8.998 3.109 3.990 500 HD11 ILE 76 HD11 ILE 76 -11.831 1.737 1.383 501 HD12 ILE 76 HD12 ILE 76 -11.916 0.470 2.627 502 HD13 ILE 76 HD13 ILE 76 -13.394 1.202 1.972 503 H LEU 77 H LEU 77 -9.815 5.923 2.406 504 HA LEU 77 HA LEU 77 -7.491 6.486 4.009 505 HB2 LEU 77 HB2 LEU 77 -8.709 7.700 1.511 506 HB3 LEU 77 HB3 LEU 77 -7.233 8.319 2.237 507 HG LEU 77 HG LEU 77 -7.557 5.437 1.283 508 HD11 LEU 77 HD11 LEU 77 -7.749 7.089 -0.531 509 HD12 LEU 77 HD12 LEU 77 -6.227 6.174 -0.650 510 HD13 LEU 77 HD13 LEU 77 -6.229 7.844 -0.014 511 HD21 LEU 77 HD21 LEU 77 -5.175 7.073 2.217 512 HD22 LEU 77 HD22 LEU 77 -5.032 5.497 1.377 513 HD23 LEU 77 HD23 LEU 77 -5.840 5.607 2.959 514 H ARG 78 H ARG 78 -10.520 8.268 3.476 515 HA ARG 78 HA ARG 78 -9.739 10.588 4.988 516 HB2 ARG 78 HB2 ARG 78 -12.562 9.647 4.619 517 HB3 ARG 78 HB3 ARG 78 -12.020 11.181 5.277 518 HG2 ARG 78 HG2 ARG 78 -12.191 10.299 2.501 519 HG3 ARG 78 HG3 ARG 78 -12.428 11.875 3.210 520 HD2 ARG 78 HD2 ARG 78 -10.033 12.338 3.138 521 HD3 ARG 78 HD3 ARG 78 -9.703 10.694 2.576 522 HE ARG 78 HE ARG 78 -10.625 11.132 0.476 523 HH11 ARG 78 HH11 ARG 78 -10.677 14.172 2.321 524 HH12 ARG 78 HH12 ARG 78 -11.238 15.011 0.876 525 HH21 ARG 78 HH21 ARG 78 -11.462 12.294 -1.098 526 HH22 ARG 78 HH22 ARG 78 -11.645 14.043 -0.951 527 H ALA 79 H ALA 79 -11.262 7.543 5.962 528 HA ALA 79 HA ALA 79 -11.491 8.197 8.761 529 HB1 ALA 79 HB1 ALA 79 -11.497 5.540 7.295 530 HB2 ALA 79 HB2 ALA 79 -11.899 5.761 9.010 531 HB3 ALA 79 HB3 ALA 79 -12.895 6.513 7.754 532 H VAL 80 H VAL 80 -8.762 6.767 6.908 533 HA VAL 80 HA VAL 80 -7.097 6.366 9.285 534 HB VAL 80 HB VAL 80 -6.283 6.932 6.402 535 HG11 VAL 80 HG11 VAL 80 -4.697 5.806 8.750 536 HG12 VAL 80 HG12 VAL 80 -4.128 5.906 7.068 537 HG13 VAL 80 HG13 VAL 80 -4.429 7.386 7.973 538 HG21 VAL 80 HG21 VAL 80 -7.534 4.821 6.575 539 HG22 VAL 80 HG22 VAL 80 -5.830 4.511 6.283 540 HG23 VAL 80 HG23 VAL 80 -6.503 4.297 7.918 541 H GLY 81 H GLY 81 -7.704 9.035 7.025 542 HA2 GLY 81 HA2 GLY 81 -7.799 11.319 7.489 543 HA3 GLY 81 HA3 GLY 81 -7.067 11.049 9.070 544 H ASN 82 H ASN 82 -5.316 9.373 6.836 545 HA ASN 82 HA ASN 82 -3.643 11.328 5.582 546 HB2 ASN 82 HB2 ASN 82 -2.827 11.323 8.026 547 HB3 ASN 82 HB3 ASN 82 -2.387 9.630 7.802 548 HD21 ASN 82 HD21 ASN 82 -0.231 10.695 8.477 549 HD22 ASN 82 HD22 ASN 82 0.746 11.308 7.132 550 H MET 83 H MET 83 -1.693 9.954 4.599 551 HA MET 83 HA MET 83 -2.587 7.695 3.109 552 HB2 MET 83 HB2 MET 83 -0.779 9.502 2.641 553 HB3 MET 83 HB3 MET 83 0.253 8.586 3.718 554 HG2 MET 83 HG2 MET 83 0.899 7.702 1.745 555 HG3 MET 83 HG3 MET 83 -0.411 6.576 2.075 556 HE1 MET 83 HE1 MET 83 -2.318 6.178 0.613 557 HE2 MET 83 HE2 MET 83 -3.145 7.683 1.084 558 HE3 MET 83 HE3 MET 83 -2.986 7.258 -0.630 559 HA PRO 84 HA PRO 84 -1.850 4.785 6.501 560 HB2 PRO 84 HB2 PRO 84 -2.436 2.418 5.247 561 HB3 PRO 84 HB3 PRO 84 -3.665 3.602 5.766 562 HG2 PRO 84 HG2 PRO 84 -2.585 3.119 2.983 563 HG3 PRO 84 HG3 PRO 84 -4.243 3.520 3.506 564 HD2 PRO 84 HD2 PRO 84 -2.463 5.419 2.541 565 HD3 PRO 84 HD3 PRO 84 -3.795 5.808 3.670 566 H TYR 85 H TYR 85 0.061 5.257 3.827 567 HA TYR 85 HA TYR 85 1.770 2.937 3.826 568 HB2 TYR 85 HB2 TYR 85 2.434 5.743 2.913 569 HB3 TYR 85 HB3 TYR 85 3.231 4.260 2.419 570 HD1 TYR 85 HD1 TYR 85 -0.156 3.299 2.241 571 HD2 TYR 85 HD2 TYR 85 2.711 5.912 0.354 572 HE1 TYR 85 HE1 TYR 85 -1.654 3.527 0.282 573 HE2 TYR 85 HE2 TYR 85 1.267 6.024 -1.664 574 HH TYR 85 HH TYR 85 -1.798 4.233 -1.884 Start of MODEL 19 1 H ASN 14 H1 ASN 14 -4.409 -1.946 -2.700 2 HA ASN 14 HA ASN 14 -3.549 -3.233 -5.184 3 HB2 ASN 14 HB2 ASN 14 -3.188 -1.007 -6.131 4 HB3 ASN 14 HB3 ASN 14 -4.873 -1.206 -5.692 5 HD21 ASN 14 HD21 ASN 14 -1.862 0.568 -4.901 6 HD22 ASN 14 HD22 ASN 14 -2.702 1.769 -3.943 7 HA PRO 15 HA PRO 15 0.559 -2.535 -3.413 8 HB2 PRO 15 HB2 PRO 15 2.101 -2.976 -5.609 9 HB3 PRO 15 HB3 PRO 15 1.236 -4.301 -4.778 10 HG2 PRO 15 HG2 PRO 15 0.444 -2.818 -7.288 11 HG3 PRO 15 HG3 PRO 15 0.378 -4.573 -6.972 12 HD2 PRO 15 HD2 PRO 15 -1.777 -2.828 -6.735 13 HD3 PRO 15 HD3 PRO 15 -1.638 -4.371 -5.853 14 H CYS 16 H CYS 16 2.457 -1.019 -3.923 15 HA CYS 16 HA CYS 16 1.416 1.573 -4.998 16 HB2 CYS 16 2HB CYS 16 3.284 0.800 -2.765 17 HB3 CYS 16 3HB CYS 16 3.417 2.365 -3.551 18 H LEU 17 H LEU 17 1.876 1.262 -7.217 19 HA LEU 17 HA LEU 17 4.442 0.290 -8.140 20 HB2 LEU 17 HB2 LEU 17 2.147 1.697 -9.578 21 HB3 LEU 17 HB3 LEU 17 3.612 1.175 -10.373 22 HG LEU 17 HG LEU 17 2.052 -0.435 -10.898 23 HD11 LEU 17 HD11 LEU 17 4.261 -1.362 -10.181 24 HD12 LEU 17 HD12 LEU 17 2.917 -2.504 -10.040 25 HD13 LEU 17 HD13 LEU 17 3.554 -1.723 -8.585 26 HD21 LEU 17 HD21 LEU 17 1.310 -0.786 -7.980 27 HD22 LEU 17 HD22 LEU 17 0.668 -1.693 -9.367 28 HD23 LEU 17 HD23 LEU 17 0.339 0.037 -9.228 29 H SER 18 H SER 18 3.147 3.579 -7.699 30 HA SER 18 HA SER 18 5.359 4.933 -8.986 31 HB2 SER 18 HB2 SER 18 3.504 5.869 -6.807 32 HB3 SER 18 HB3 SER 18 4.454 6.922 -7.883 33 HG SER 18 HG SER 18 2.168 5.345 -8.446 34 H GLU 19 H GLU 19 4.628 4.168 -5.541 35 HA GLU 19 HA GLU 19 7.149 5.145 -4.519 36 HB2 GLU 19 HB2 GLU 19 4.771 4.215 -3.406 37 HB3 GLU 19 HB3 GLU 19 5.868 2.886 -3.085 38 HG2 GLU 19 HG2 GLU 19 6.037 4.217 -1.184 39 HG3 GLU 19 HG3 GLU 19 7.462 4.691 -2.101 40 H SER 20 H SER 20 6.170 2.105 -6.051 41 HA SER 20 HA SER 20 8.671 0.685 -5.491 42 HB2 SER 20 HB2 SER 20 6.778 0.216 -7.819 43 HB3 SER 20 HB3 SER 20 8.108 -0.826 -7.315 44 HG SER 20 HG SER 20 5.818 -0.137 -5.791 45 H ASP 21 H ASP 21 7.721 2.908 -8.174 46 HA ASP 21 HA ASP 21 10.226 2.577 -9.582 47 HB2 ASP 21 HB2 ASP 21 8.160 3.530 -10.591 48 HB3 ASP 21 HB3 ASP 21 8.374 4.980 -9.605 49 H ALA 22 H ALA 22 9.202 4.783 -6.924 50 HA ALA 22 HA ALA 22 11.655 6.259 -6.774 51 HB1 ALA 22 HB1 ALA 22 10.894 6.826 -4.523 52 HB2 ALA 22 HB2 ALA 22 9.590 6.985 -5.707 53 HB3 ALA 22 HB3 ALA 22 9.622 5.580 -4.630 54 H SER 23 H SER 23 10.685 3.315 -4.915 55 HA SER 23 HA SER 23 13.148 2.628 -3.751 56 HB2 SER 23 HB2 SER 23 10.913 1.402 -3.619 57 HB3 SER 23 HB3 SER 23 11.314 0.635 -5.148 58 HG SER 23 HG SER 23 11.875 -0.587 -3.252 59 H THR 24 H THR 24 12.089 1.832 -7.075 60 HA THR 24 HA THR 24 14.391 0.409 -7.938 61 HB THR 24 HB THR 24 12.448 2.089 -9.587 62 HG1 THR 24 HG1 THR 24 11.415 0.465 -8.413 63 HG21 THR 24 HG21 THR 24 14.381 1.513 -10.956 64 HG22 THR 24 HG22 THR 24 13.032 0.477 -11.414 65 HG23 THR 24 HG23 THR 24 14.332 -0.166 -10.392 66 H ARG 25 H ARG 25 13.608 3.875 -8.279 67 HA ARG 25 HA ARG 25 15.988 4.728 -9.628 68 HB2 ARG 25 HB2 ARG 25 14.022 6.161 -7.796 69 HB3 ARG 25 HB3 ARG 25 15.301 6.998 -8.665 70 HG2 ARG 25 HG2 ARG 25 14.307 6.725 -10.754 71 HG3 ARG 25 HG3 ARG 25 13.362 5.309 -10.252 72 HD2 ARG 25 HD2 ARG 25 11.964 6.643 -8.822 73 HD3 ARG 25 HD3 ARG 25 12.910 8.103 -9.136 74 HE ARG 25 HE ARG 25 11.198 6.629 -11.127 75 HH11 ARG 25 HH11 ARG 25 12.455 9.780 -10.094 76 HH12 ARG 25 HH12 ARG 25 11.267 10.606 -11.090 77 HH21 ARG 25 HH21 ARG 25 9.884 7.694 -12.308 78 HH22 ARG 25 HH22 ARG 25 10.033 9.434 -12.563 79 H CYS 26 H CYS 26 15.185 4.582 -6.135 80 HA CYS 26 HA CYS 26 17.611 5.676 -5.132 81 HB2 CYS 26 2HB CYS 26 15.622 5.303 -3.748 82 HB3 CYS 26 3HB CYS 26 15.746 3.559 -3.978 83 H LEU 27 H LEU 27 16.764 2.266 -5.804 84 HA LEU 27 HA LEU 27 19.338 1.209 -5.043 85 HB2 LEU 27 HB2 LEU 27 16.833 0.275 -6.430 86 HB3 LEU 27 HB3 LEU 27 18.283 -0.692 -6.665 87 HG LEU 27 HG LEU 27 18.571 -1.149 -4.459 88 HD11 LEU 27 HD11 LEU 27 16.572 0.961 -3.631 89 HD12 LEU 27 HD12 LEU 27 18.303 0.845 -3.192 90 HD13 LEU 27 HD13 LEU 27 17.157 -0.314 -2.554 91 HD21 LEU 27 HD21 LEU 27 15.526 -1.061 -4.596 92 HD22 LEU 27 HD22 LEU 27 16.530 -2.316 -3.839 93 HD23 LEU 27 HD23 LEU 27 16.455 -2.152 -5.609 94 H ASP 28 H ASP 28 18.067 2.039 -8.197 95 HA ASP 28 HA ASP 28 20.400 1.615 -9.762 96 HB2 ASP 28 HB2 ASP 28 18.256 2.073 -10.783 97 HB3 ASP 28 HB3 ASP 28 18.147 3.646 -9.996 98 H GLU 29 H GLU 29 19.542 4.471 -7.757 99 HA GLU 29 HA GLU 29 21.744 6.128 -8.525 100 HB2 GLU 29 HB2 GLU 29 19.555 6.124 -6.555 101 HB3 GLU 29 HB3 GLU 29 21.005 6.732 -5.825 102 HG2 GLU 29 HG2 GLU 29 20.005 7.742 -8.523 103 HG3 GLU 29 HG3 GLU 29 19.401 8.377 -6.996 104 H ASN 30 H ASN 30 21.361 3.992 -5.658 105 HA ASN 30 HA ASN 30 24.280 4.312 -5.106 106 HB2 ASN 30 HB2 ASN 30 23.548 3.903 -2.722 107 HB3 ASN 30 HB3 ASN 30 23.123 5.447 -3.444 108 HD21 ASN 30 HD21 ASN 30 21.588 2.246 -3.418 109 HD22 ASN 30 HD22 ASN 30 19.978 2.942 -3.343 110 H ASN 31 H ASN 31 24.551 2.478 -6.683 111 HA ASN 31 HA ASN 31 25.059 0.254 -7.063 112 HB2 ASN 31 HB2 ASN 31 26.204 0.941 -4.340 113 HB3 ASN 31 HB3 ASN 31 26.689 -0.489 -5.242 114 HD21 ASN 31 HD21 ASN 31 28.445 1.536 -4.412 115 HD22 ASN 31 HD22 ASN 31 29.200 2.128 -5.890 116 H TYR 32 H TYR 32 22.401 0.116 -6.435 117 HA TYR 32 HA TYR 32 20.736 -1.120 -5.698 118 HB2 TYR 32 HB2 TYR 32 22.436 -2.737 -7.080 119 HB3 TYR 32 HB3 TYR 32 22.187 -3.701 -5.651 120 HD1 TYR 32 HD1 TYR 32 19.408 -3.494 -4.898 121 HD2 TYR 32 HD2 TYR 32 21.102 -3.291 -8.867 122 HE1 TYR 32 HE1 TYR 32 17.245 -4.222 -5.868 123 HE2 TYR 32 HE2 TYR 32 18.917 -3.978 -9.822 124 HH TYR 32 HH TYR 32 16.009 -4.385 -7.801 125 H ASP 33 H ASP 33 21.874 0.153 -3.545 126 HA ASP 33 HA ASP 33 22.193 -1.598 -1.329 127 HB2 ASP 33 HB2 ASP 33 23.209 0.708 -1.696 128 HB3 ASP 33 HB3 ASP 33 21.710 1.365 -1.037 129 H ARG 34 H ARG 34 20.187 -2.634 -2.027 130 HA ARG 34 HA ARG 34 17.529 -1.976 -1.425 131 HB2 ARG 34 HB2 ARG 34 17.081 -4.242 -1.652 132 HB3 ARG 34 HB3 ARG 34 18.509 -3.987 -2.637 133 HG2 ARG 34 HG2 ARG 34 19.837 -4.798 -0.526 134 HG3 ARG 34 HG3 ARG 34 18.268 -5.332 0.087 135 HD2 ARG 34 HD2 ARG 34 19.232 -7.223 -0.939 136 HD3 ARG 34 HD3 ARG 34 17.992 -6.672 -2.060 137 HE ARG 34 HE ARG 34 20.956 -6.175 -2.300 138 HH11 ARG 34 HH11 ARG 34 17.886 -6.483 -4.065 139 HH12 ARG 34 HH12 ARG 34 18.774 -6.732 -5.568 140 HH21 ARG 34 HH21 ARG 34 21.848 -6.194 -4.266 141 HH22 ARG 34 HH22 ARG 34 20.857 -6.592 -5.682 142 H GLU 35 H GLU 35 19.988 -2.735 0.903 143 HA GLU 35 HA GLU 35 18.116 -3.193 3.128 144 HB2 GLU 35 HB2 GLU 35 21.114 -2.690 3.091 145 HB3 GLU 35 HB3 GLU 35 20.154 -3.064 4.530 146 HG2 GLU 35 HG2 GLU 35 19.442 -5.208 3.518 147 HG3 GLU 35 HG3 GLU 35 20.430 -4.889 2.093 148 H ARG 36 H ARG 36 20.303 -0.474 2.182 149 HA ARG 36 HA ARG 36 19.238 1.359 4.155 150 HB2 ARG 36 HB2 ARG 36 20.747 1.867 1.555 151 HB3 ARG 36 HB3 ARG 36 20.427 3.083 2.784 152 HG2 ARG 36 HG2 ARG 36 22.114 0.569 3.174 153 HG3 ARG 36 HG3 ARG 36 22.717 2.207 2.930 154 HD2 ARG 36 HD2 ARG 36 21.134 1.201 5.317 155 HD3 ARG 36 HD3 ARG 36 22.859 1.521 5.267 156 HE ARG 36 HE ARG 36 22.333 3.925 4.811 157 HH11 ARG 36 HH11 ARG 36 19.803 2.089 6.464 158 HH12 ARG 36 HH12 ARG 36 19.081 3.544 7.060 159 HH21 ARG 36 HH21 ARG 36 21.294 5.621 5.385 160 HH22 ARG 36 HH22 ARG 36 19.697 5.530 6.130 161 H CYS 37 H CYS 37 18.153 0.574 0.904 162 HA CYS 37 HA CYS 37 15.883 2.471 1.332 163 HB2 CYS 37 2HB CYS 37 17.382 1.752 -1.031 164 HB3 CYS 37 3HB CYS 37 15.655 1.519 -1.287 165 H SER 38 H SER 38 16.180 -0.245 2.685 166 HA SER 38 HA SER 38 13.804 -1.691 1.830 167 HB2 SER 38 HB2 SER 38 15.359 -1.657 4.426 168 HB3 SER 38 HB3 SER 38 13.870 -2.589 4.219 169 HG SER 38 HG SER 38 15.950 -2.815 2.325 170 H THR 39 H THR 39 14.157 1.372 3.392 171 HA THR 39 HA THR 39 11.764 1.672 4.875 172 HB THR 39 HB THR 39 11.932 4.072 4.117 173 HG1 THR 39 HG1 THR 39 13.700 4.603 2.854 174 HG21 THR 39 HG21 THR 39 13.274 3.204 6.061 175 HG22 THR 39 HG22 THR 39 14.055 4.543 5.199 176 HG23 THR 39 HG23 THR 39 14.616 2.878 4.939 177 H TYR 40 H TYR 40 12.313 2.106 1.409 178 HA TYR 40 HA TYR 40 9.574 2.600 0.677 179 HB2 TYR 40 HB2 TYR 40 12.007 1.605 -0.865 180 HB3 TYR 40 HB3 TYR 40 10.418 1.796 -1.601 181 HD1 TYR 40 HD1 TYR 40 12.990 3.687 0.331 182 HD2 TYR 40 HD2 TYR 40 9.605 3.840 -2.302 183 HE1 TYR 40 HE1 TYR 40 13.277 6.185 0.110 184 HE2 TYR 40 HE2 TYR 40 9.850 6.294 -2.511 185 HH TYR 40 HH TYR 40 12.333 8.175 -0.778 186 H PHE 41 H PHE 41 11.491 -0.379 0.700 187 HA PHE 41 HA PHE 41 9.471 -2.088 -0.340 188 HB2 PHE 41 HB2 PHE 41 11.906 -2.626 -0.083 189 HB3 PHE 41 HB3 PHE 41 11.661 -2.793 1.649 190 HD1 PHE 41 HD2 PHE 41 9.042 -4.147 -0.658 191 HD2 PHE 41 HD1 PHE 41 12.677 -5.005 1.523 192 HE1 PHE 41 HE2 PHE 41 8.714 -6.560 -1.046 193 HE2 PHE 41 HE1 PHE 41 12.321 -7.424 1.135 194 HZ PHE 41 HZ PHE 41 10.352 -8.202 -0.174 195 H LEU 42 H LEU 42 10.181 -1.191 3.036 196 HA LEU 42 HA LEU 42 8.032 -2.574 4.280 197 HB2 LEU 42 HB2 LEU 42 9.829 -1.804 5.638 198 HB3 LEU 42 HB3 LEU 42 9.795 -0.199 4.928 199 HG LEU 42 HG LEU 42 7.710 0.353 6.122 200 HD11 LEU 42 HD11 LEU 42 6.759 -1.937 6.411 201 HD12 LEU 42 HD12 LEU 42 6.900 -1.074 7.934 202 HD13 LEU 42 HD13 LEU 42 8.095 -2.325 7.516 203 HD21 LEU 42 HD21 LEU 42 8.758 0.499 8.344 204 HD22 LEU 42 HD22 LEU 42 9.903 0.899 7.061 205 HD23 LEU 42 HD23 LEU 42 9.979 -0.690 7.855 206 H ARG 43 H ARG 43 8.112 0.839 3.080 207 HA ARG 43 HA ARG 43 5.323 1.213 3.771 208 HB2 ARG 43 HB2 ARG 43 7.160 2.738 1.904 209 HB3 ARG 43 HB3 ARG 43 5.487 3.201 2.310 210 HG2 ARG 43 HG2 ARG 43 6.058 3.228 4.713 211 HG3 ARG 43 HG3 ARG 43 7.711 2.750 4.356 212 HD2 ARG 43 HD2 ARG 43 7.449 5.197 4.812 213 HD3 ARG 43 HD3 ARG 43 8.155 4.847 3.234 214 HE ARG 43 HE ARG 43 5.246 5.508 3.678 215 HH11 ARG 43 HH11 ARG 43 8.024 5.736 1.507 216 HH12 ARG 43 HH12 ARG 43 7.104 6.662 0.369 217 HH21 ARG 43 HH21 ARG 43 4.120 6.173 2.069 218 HH22 ARG 43 HH22 ARG 43 4.837 6.474 0.474 219 H TYR 44 H TYR 44 6.787 -0.312 1.110 220 HA TYR 44 HA TYR 44 4.344 -0.376 -0.560 221 HB2 TYR 44 HB2 TYR 44 6.323 -0.504 -1.774 222 HB3 TYR 44 HB3 TYR 44 7.035 -1.729 -0.726 223 HD1 TYR 44 HD1 TYR 44 6.154 -4.098 -0.779 224 HD2 TYR 44 HD2 TYR 44 5.082 -1.114 -3.714 225 HE1 TYR 44 HE1 TYR 44 5.377 -5.888 -2.323 226 HE2 TYR 44 HE2 TYR 44 4.359 -2.927 -5.274 227 HH TYR 44 HH TYR 44 4.089 -5.189 -5.585 228 H LYS 45 H LYS 45 5.978 -2.660 1.688 229 HA LYS 45 HA LYS 45 3.926 -4.650 1.797 230 HB2 LYS 45 HB2 LYS 45 5.993 -5.189 2.766 231 HB3 LYS 45 HB3 LYS 45 6.094 -3.692 3.670 232 HG2 LYS 45 HG2 LYS 45 4.264 -4.442 5.173 233 HG3 LYS 45 HG3 LYS 45 4.201 -5.986 4.298 234 HD2 LYS 45 HD2 LYS 45 6.504 -6.493 4.974 235 HD3 LYS 45 HD3 LYS 45 6.686 -4.873 5.690 236 HE2 LYS 45 HE2 LYS 45 4.859 -5.360 7.293 237 HE3 LYS 45 HE3 LYS 45 4.676 -6.977 6.598 238 HZ1 LYS 45 HZ1 LYS 45 7.098 -5.945 7.958 239 HZ2 LYS 45 HZ2 LYS 45 6.959 -7.454 7.299 240 HZ3 LYS 45 HZ3 LYS 45 6.051 -7.019 8.588 241 H ASN 46 H ASN 46 4.271 -1.690 3.842 242 HA ASN 46 HA ASN 46 1.851 -1.907 5.264 243 HB2 ASN 46 HB2 ASN 46 3.163 0.643 4.182 244 HB3 ASN 46 HB3 ASN 46 1.955 0.580 5.442 245 HD21 ASN 46 HD21 ASN 46 4.361 1.883 5.741 246 HD22 ASN 46 HD22 ASN 46 5.272 1.043 6.999 247 H CYS 47 H CYS 47 2.388 -0.399 2.062 248 HA CYS 47 HA CYS 47 -0.212 0.541 1.580 249 HB2 CYS 47 2HB CYS 47 1.696 1.275 0.351 250 HB3 CYS 47 3HB CYS 47 2.053 -0.333 -0.236 251 H ARG 48 H ARG 48 1.144 -2.581 0.355 252 HA ARG 48 HA ARG 48 -1.530 -3.448 -0.411 253 HB2 ARG 48 HB2 ARG 48 -0.636 -5.515 -1.041 254 HB3 ARG 48 HB3 ARG 48 0.308 -4.174 -1.660 255 HG2 ARG 48 HG2 ARG 48 1.904 -5.728 -1.114 256 HG3 ARG 48 HG3 ARG 48 1.973 -4.633 0.266 257 HD2 ARG 48 HD2 ARG 48 0.776 -6.199 1.660 258 HD3 ARG 48 HD3 ARG 48 0.316 -7.173 0.256 259 HE ARG 48 HE ARG 48 2.899 -7.465 -0.018 260 HH11 ARG 48 HH11 ARG 48 1.362 -7.771 3.101 261 HH12 ARG 48 HH12 ARG 48 2.861 -8.142 3.896 262 HH21 ARG 48 HH21 ARG 48 4.595 -8.104 0.895 263 HH22 ARG 48 HH22 ARG 48 4.694 -8.456 2.613 264 H ARG 49 H ARG 49 0.298 -3.973 2.593 265 HA ARG 49 HA ARG 49 -1.544 -5.843 3.740 266 HB2 ARG 49 HB2 ARG 49 0.691 -5.469 4.656 267 HB3 ARG 49 HB3 ARG 49 0.254 -3.809 5.108 268 HG2 ARG 49 HG2 ARG 49 -1.441 -4.645 6.671 269 HG3 ARG 49 HG3 ARG 49 -1.116 -6.318 6.188 270 HD2 ARG 49 HD2 ARG 49 1.076 -6.256 7.192 271 HD3 ARG 49 HD3 ARG 49 1.018 -4.496 7.354 272 HE ARG 49 HE ARG 49 -0.454 -4.633 9.162 273 HH11 ARG 49 HH11 ARG 49 0.086 -7.979 8.053 274 HH12 ARG 49 HH12 ARG 49 -0.545 -8.576 9.583 275 HH21 ARG 49 HH21 ARG 49 -1.153 -5.616 11.049 276 HH22 ARG 49 HH22 ARG 49 -1.257 -7.372 11.066 277 H PHE 50 H PHE 50 -1.700 -2.284 3.565 278 HA PHE 50 HA PHE 50 -3.876 -1.981 5.421 279 HB2 PHE 50 HB2 PHE 50 -2.511 -0.080 4.583 280 HB3 PHE 50 HB3 PHE 50 -3.163 -0.287 2.982 281 HD1 PHE 50 HD2 PHE 50 -4.190 0.429 6.531 282 HD2 PHE 50 HD1 PHE 50 -5.229 0.716 2.358 283 HE1 PHE 50 HE2 PHE 50 -6.164 1.820 7.111 284 HE2 PHE 50 HE1 PHE 50 -7.205 2.091 2.938 285 HZ PHE 50 HZ PHE 50 -7.677 2.646 5.320 286 H TRP 51 H TRP 51 -3.902 -1.986 1.867 287 HA TRP 51 HA TRP 51 -6.747 -2.198 1.699 288 HB2 TRP 51 HB2 TRP 51 -4.577 -2.669 -0.359 289 HB3 TRP 51 HB3 TRP 51 -6.301 -2.625 -0.717 290 HD1 TRP 51 HD1 TRP 51 -3.369 -0.263 -0.307 291 HE1 TRP 51 HE1 TRP 51 -4.144 2.113 -0.671 292 HE3 TRP 51 HE3 TRP 51 -8.423 -0.929 0.372 293 HZ2 TRP 51 HZ2 TRP 51 -6.519 3.637 -0.207 294 HZ3 TRP 51 HZ3 TRP 51 -9.866 1.078 0.680 295 HH2 TRP 51 HH2 TRP 51 -8.914 3.361 0.410 296 H ASN 52 H ASN 52 -4.290 -4.859 1.675 297 HA ASN 52 HA ASN 52 -6.170 -6.984 1.368 298 HB2 ASN 52 HB2 ASN 52 -3.434 -6.691 2.676 299 HB3 ASN 52 HB3 ASN 52 -4.294 -8.192 2.679 300 HD21 ASN 52 HD21 ASN 52 -1.826 -8.103 1.521 301 HD22 ASN 52 HD22 ASN 52 -1.977 -8.142 -0.244 302 H SER 53 H SER 53 -5.246 -5.069 4.253 303 HA SER 53 HA SER 53 -6.795 -6.666 6.092 304 HB2 SER 53 HB2 SER 53 -5.943 -3.763 6.368 305 HB3 SER 53 HB3 SER 53 -6.651 -4.770 7.629 306 HG SER 53 HG SER 53 -4.177 -5.097 6.284 307 H ILE 54 H ILE 54 -7.644 -3.694 4.157 308 HA ILE 54 HA ILE 54 -10.343 -3.539 5.118 309 HB ILE 54 HB ILE 54 -9.189 -2.816 2.396 310 HG12 ILE 54 HG12 ILE 54 -8.107 -1.552 4.185 311 HG13 ILE 54 HG13 ILE 54 -9.108 -0.525 3.198 312 HG21 ILE 54 HG21 ILE 54 -11.178 -1.286 2.210 313 HG22 ILE 54 HG22 ILE 54 -11.562 -3.004 2.097 314 HG23 ILE 54 HG23 ILE 54 -11.895 -2.127 3.603 315 HD11 ILE 54 HD11 ILE 54 -10.861 -0.523 4.987 316 HD12 ILE 54 HD12 ILE 54 -9.816 -1.567 5.982 317 HD13 ILE 54 HD13 ILE 54 -9.297 0.072 5.563 318 H VAL 55 H VAL 55 -8.955 -5.454 2.431 319 HA VAL 55 HA VAL 55 -11.312 -6.827 1.678 320 HB VAL 55 HB VAL 55 -8.385 -7.615 1.639 321 HG11 VAL 55 HG11 VAL 55 -9.644 -9.729 1.661 322 HG12 VAL 55 HG12 VAL 55 -10.629 -9.158 0.300 323 HG13 VAL 55 HG13 VAL 55 -8.890 -9.420 0.097 324 HG21 VAL 55 HG21 VAL 55 -9.192 -5.738 0.153 325 HG22 VAL 55 HG22 VAL 55 -8.494 -7.124 -0.691 326 HG23 VAL 55 HG23 VAL 55 -10.253 -6.914 -0.639 327 H MET 56 H MET 56 -8.895 -7.856 4.221 328 HA MET 56 HA MET 56 -10.358 -10.133 5.107 329 HB2 MET 56 HB2 MET 56 -8.461 -8.253 6.571 330 HB3 MET 56 HB3 MET 56 -9.183 -9.654 7.346 331 HG2 MET 56 HG2 MET 56 -7.446 -9.794 4.868 332 HG3 MET 56 HG3 MET 56 -6.907 -10.057 6.525 333 HE1 MET 56 HE1 MET 56 -5.904 -12.404 6.243 334 HE2 MET 56 HE2 MET 56 -6.657 -13.690 5.273 335 HE3 MET 56 HE3 MET 56 -6.155 -12.172 4.499 336 H GLN 57 H GLN 57 -10.651 -6.729 6.158 337 HA GLN 57 HA GLN 57 -12.563 -7.337 8.253 338 HB2 GLN 57 HB2 GLN 57 -11.740 -4.692 7.007 339 HB3 GLN 57 HB3 GLN 57 -12.752 -4.874 8.437 340 HG2 GLN 57 HG2 GLN 57 -9.862 -5.813 8.240 341 HG3 GLN 57 HG3 GLN 57 -10.394 -4.322 8.982 342 HE21 GLN 57 HE21 GLN 57 -8.833 -6.262 10.303 343 HE22 GLN 57 HE22 GLN 57 -9.801 -6.859 11.646 344 H ARG 58 H ARG 58 -12.930 -6.647 4.823 345 HA ARG 58 HA ARG 58 -15.887 -6.609 5.087 346 HB2 ARG 58 HB2 ARG 58 -13.979 -6.658 2.722 347 HB3 ARG 58 HB3 ARG 58 -15.751 -6.691 2.570 348 HG2 ARG 58 HG2 ARG 58 -15.978 -4.578 3.696 349 HG3 ARG 58 HG3 ARG 58 -14.247 -4.469 4.022 350 HD2 ARG 58 HD2 ARG 58 -13.691 -4.131 1.769 351 HD3 ARG 58 HD3 ARG 58 -15.255 -4.718 1.181 352 HE ARG 58 HE ARG 58 -15.243 -2.282 2.882 353 HH11 ARG 58 HH11 ARG 58 -15.795 -3.479 -0.449 354 HH12 ARG 58 HH12 ARG 58 -16.400 -1.879 -0.883 355 HH21 ARG 58 HH21 ARG 58 -16.126 -0.540 2.230 356 HH22 ARG 58 HH22 ARG 58 -16.866 -0.413 0.627 357 H ARG 59 H ARG 59 -13.403 -8.944 4.267 358 HA ARG 59 HA ARG 59 -15.217 -11.078 3.558 359 HB2 ARG 59 HB2 ARG 59 -12.923 -10.744 2.716 360 HB3 ARG 59 HB3 ARG 59 -12.282 -11.243 4.286 361 HG2 ARG 59 HG2 ARG 59 -13.102 -13.471 3.989 362 HG3 ARG 59 HG3 ARG 59 -14.126 -13.010 2.612 363 HD2 ARG 59 HD2 ARG 59 -12.186 -12.473 1.256 364 HD3 ARG 59 HD3 ARG 59 -11.096 -12.754 2.626 365 HE ARG 59 HE ARG 59 -12.774 -14.997 1.565 366 HH11 ARG 59 HH11 ARG 59 -9.482 -13.685 1.901 367 HH12 ARG 59 HH12 ARG 59 -8.819 -15.267 1.553 368 HH21 ARG 59 HH21 ARG 59 -11.682 -16.833 0.876 369 HH22 ARG 59 HH22 ARG 59 -9.915 -16.853 0.964 370 H LYS 60 H LYS 60 -14.264 -9.925 6.658 371 HA LYS 60 HA LYS 60 -15.023 -12.131 8.272 372 HB2 LYS 60 HB2 LYS 60 -15.308 -10.646 10.024 373 HB3 LYS 60 HB3 LYS 60 -14.099 -9.870 9.005 374 HG2 LYS 60 HG2 LYS 60 -16.076 -8.495 8.055 375 HG3 LYS 60 HG3 LYS 60 -17.029 -9.155 9.391 376 HD2 LYS 60 HD2 LYS 60 -15.440 -8.212 11.034 377 HD3 LYS 60 HD3 LYS 60 -14.453 -7.563 9.713 378 HE2 LYS 60 HE2 LYS 60 -16.517 -6.265 8.942 379 HE3 LYS 60 HE3 LYS 60 -17.308 -6.788 10.438 380 HZ1 LYS 60 HZ1 LYS 60 -16.399 -4.632 10.795 381 HZ2 LYS 60 HZ2 LYS 60 -14.964 -5.011 10.167 382 HZ3 LYS 60 HZ3 LYS 60 -15.427 -5.661 11.636 383 H ASN 61 H ASN 61 -17.067 -10.027 6.303 384 HA ASN 61 HA ASN 61 -19.515 -11.271 7.364 385 HB2 ASN 61 HB2 ASN 61 -19.046 -8.887 5.572 386 HB3 ASN 61 HB3 ASN 61 -20.636 -9.545 5.946 387 HD21 ASN 61 HD21 ASN 61 -18.260 -7.434 7.020 388 HD22 ASN 61 HD22 ASN 61 -18.920 -7.174 8.645 389 H GLY 62 H GLY 62 -17.512 -11.404 4.454 390 HA2 GLY 62 HA2 GLY 62 -17.501 -12.944 2.757 391 HA3 GLY 62 HA3 GLY 62 -18.751 -13.820 3.611 392 H VAL 63 H VAL 63 -19.624 -10.615 2.643 393 HA VAL 63 HA VAL 63 -21.695 -11.826 0.880 394 HB VAL 63 HB VAL 63 -22.251 -11.212 3.183 395 HG11 VAL 63 HG11 VAL 63 -20.744 -9.258 3.503 396 HG12 VAL 63 HG12 VAL 63 -21.750 -8.319 2.382 397 HG13 VAL 63 HG13 VAL 63 -22.422 -8.890 3.914 398 HG21 VAL 63 HG21 VAL 63 -23.743 -9.355 1.308 399 HG22 VAL 63 HG22 VAL 63 -24.010 -11.114 1.428 400 HG23 VAL 63 HG23 VAL 63 -24.300 -10.070 2.824 401 H LYS 64 H LYS 64 -19.247 -9.493 0.584 402 HA LYS 64 HA LYS 64 -20.593 -7.934 -1.577 403 HB2 LYS 64 HB2 LYS 64 -19.981 -5.898 -0.436 404 HB3 LYS 64 HB3 LYS 64 -20.863 -6.913 0.685 405 HG2 LYS 64 HG2 LYS 64 -19.004 -7.307 2.038 406 HG3 LYS 64 HG3 LYS 64 -17.839 -7.053 0.735 407 HD2 LYS 64 HD2 LYS 64 -17.758 -5.209 2.312 408 HD3 LYS 64 HD3 LYS 64 -18.237 -4.684 0.696 409 HE2 LYS 64 HE2 LYS 64 -20.667 -4.770 1.474 410 HE3 LYS 64 HE3 LYS 64 -20.094 -5.191 3.092 411 HZ1 LYS 64 HZ1 LYS 64 -19.012 -3.033 3.214 412 HZ2 LYS 64 HZ2 LYS 64 -20.594 -2.813 2.805 413 HZ3 LYS 64 HZ3 LYS 64 -19.442 -2.680 1.659 414 HA PRO 65 HA PRO 65 -16.458 -7.707 -3.418 415 HB2 PRO 65 HB2 PRO 65 -16.131 -5.080 -4.139 416 HB3 PRO 65 HB3 PRO 65 -17.142 -6.257 -5.037 417 HG2 PRO 65 HG2 PRO 65 -18.046 -4.252 -2.959 418 HG3 PRO 65 HG3 PRO 65 -18.733 -4.534 -4.594 419 HD2 PRO 65 HD2 PRO 65 -19.847 -5.638 -2.444 420 HD3 PRO 65 HD3 PRO 65 -19.683 -6.607 -3.923 421 H PHE 66 H PHE 66 -15.138 -8.177 -1.850 422 HA PHE 66 HA PHE 66 -14.458 -6.701 0.473 423 HB2 PHE 66 HB2 PHE 66 -12.704 -8.694 -0.984 424 HB3 PHE 66 HB3 PHE 66 -12.684 -8.285 0.712 425 HD1 PHE 66 HD2 PHE 66 -15.679 -8.502 1.336 426 HD2 PHE 66 HD1 PHE 66 -13.040 -10.992 -0.992 427 HE1 PHE 66 HE2 PHE 66 -17.125 -10.453 1.788 428 HE2 PHE 66 HE1 PHE 66 -14.492 -12.942 -0.526 429 HZ PHE 66 HZ PHE 66 -16.521 -12.691 0.846 430 H MET 67 H MET 67 -12.683 -7.041 -2.642 431 HA MET 67 HA MET 67 -10.881 -4.838 -2.151 432 HB2 MET 67 HB2 MET 67 -11.790 -6.354 -4.594 433 HB3 MET 67 HB3 MET 67 -10.910 -4.834 -4.784 434 HG2 MET 67 HG2 MET 67 -9.913 -7.208 -3.180 435 HG3 MET 67 HG3 MET 67 -9.417 -6.792 -4.823 436 HE1 MET 67 HE1 MET 67 -7.453 -7.387 -2.638 437 HE2 MET 67 HE2 MET 67 -6.819 -6.773 -4.180 438 HE3 MET 67 HE3 MET 67 -6.257 -6.063 -2.644 439 HA PRO 68 HA PRO 68 -14.366 -2.002 -2.248 440 HB2 PRO 68 HB2 PRO 68 -13.060 0.352 -1.638 441 HB3 PRO 68 HB3 PRO 68 -13.400 -0.939 -0.444 442 HG2 PRO 68 HG2 PRO 68 -10.852 -0.463 -2.023 443 HG3 PRO 68 HG3 PRO 68 -11.029 -0.741 -0.259 444 HD2 PRO 68 HD2 PRO 68 -10.369 -2.741 -1.959 445 HD3 PRO 68 HD3 PRO 68 -11.469 -3.026 -0.579 446 H THR 69 H THR 69 -15.199 -0.113 -3.393 447 HA THR 69 HA THR 69 -13.967 0.252 -6.062 448 HB THR 69 HB THR 69 -16.030 0.983 -6.882 449 HG1 THR 69 HG1 THR 69 -17.767 0.805 -5.012 450 HG21 THR 69 HG21 THR 69 -15.823 -1.521 -6.366 451 HG22 THR 69 HG22 THR 69 -17.462 -0.900 -6.571 452 HG23 THR 69 HG23 THR 69 -16.835 -1.235 -4.943 453 H ALA 70 H ALA 70 -14.312 2.560 -6.983 454 HA ALA 70 HA ALA 70 -12.115 3.796 -5.777 455 HB1 ALA 70 HB1 ALA 70 -12.675 3.911 -8.160 456 HB2 ALA 70 HB2 ALA 70 -14.057 4.974 -7.794 457 HB3 ALA 70 HB3 ALA 70 -12.400 5.529 -7.492 458 H ALA 71 H ALA 71 -15.531 4.893 -5.555 459 HA ALA 71 HA ALA 71 -15.027 7.255 -3.994 460 HB1 ALA 71 HB1 ALA 71 -17.448 7.146 -3.564 461 HB2 ALA 71 HB2 ALA 71 -17.132 6.782 -5.268 462 HB3 ALA 71 HB3 ALA 71 -17.505 5.467 -4.139 463 H GLU 72 H GLU 72 -15.260 3.847 -3.142 464 HA GLU 72 HA GLU 72 -15.662 4.250 -0.292 465 HB2 GLU 72 HB2 GLU 72 -14.804 1.729 -1.742 466 HB3 GLU 72 HB3 GLU 72 -15.360 1.882 -0.078 467 HG2 GLU 72 HG2 GLU 72 -17.563 2.757 -1.016 468 HG3 GLU 72 HG3 GLU 72 -16.988 2.278 -2.618 469 H ARG 73 H ARG 73 -12.945 3.211 -2.460 470 HA ARG 73 HA ARG 73 -10.859 3.307 -0.536 471 HB2 ARG 73 HB2 ARG 73 -10.791 4.207 -3.445 472 HB3 ARG 73 HB3 ARG 73 -9.368 4.019 -2.419 473 HG2 ARG 73 HG2 ARG 73 -9.828 1.599 -2.201 474 HG3 ARG 73 HG3 ARG 73 -11.262 1.782 -3.224 475 HD2 ARG 73 HD2 ARG 73 -9.573 0.994 -4.670 476 HD3 ARG 73 HD3 ARG 73 -9.729 2.701 -5.048 477 HE ARG 73 HE ARG 73 -7.466 1.314 -3.714 478 HH11 ARG 73 HH11 ARG 73 -8.633 4.526 -4.780 479 HH12 ARG 73 HH12 ARG 73 -6.991 5.129 -4.703 480 HH21 ARG 73 HH21 ARG 73 -5.486 2.250 -3.781 481 HH22 ARG 73 HH22 ARG 73 -5.351 3.956 -4.188 482 H ASP 74 H ASP 74 -12.310 6.022 -2.342 483 HA ASP 74 HA ASP 74 -10.594 8.033 -1.299 484 HB2 ASP 74 HB2 ASP 74 -12.062 8.240 -3.297 485 HB3 ASP 74 HB3 ASP 74 -13.476 8.296 -2.256 486 H GLU 75 H GLU 75 -13.928 7.104 -0.100 487 HA GLU 75 HA GLU 75 -13.723 8.896 2.141 488 HB2 GLU 75 HB2 GLU 75 -15.672 7.924 3.003 489 HB3 GLU 75 HB3 GLU 75 -15.900 8.184 1.292 490 HG2 GLU 75 HG2 GLU 75 -16.127 5.945 0.842 491 HG3 GLU 75 HG3 GLU 75 -15.026 5.412 2.106 492 H ILE 76 H ILE 76 -12.625 5.594 1.712 493 HA ILE 76 HA ILE 76 -12.170 5.027 4.519 494 HB ILE 76 HB ILE 76 -11.256 3.789 1.909 495 HG12 ILE 76 HG12 ILE 76 -12.987 2.568 4.107 496 HG13 ILE 76 HG13 ILE 76 -13.688 3.635 2.909 497 HG21 ILE 76 HG21 ILE 76 -10.556 2.875 4.724 498 HG22 ILE 76 HG22 ILE 76 -10.351 1.890 3.255 499 HG23 ILE 76 HG23 ILE 76 -9.432 3.388 3.444 500 HD11 ILE 76 HD11 ILE 76 -12.787 2.102 1.087 501 HD12 ILE 76 HD12 ILE 76 -12.420 0.940 2.386 502 HD13 ILE 76 HD13 ILE 76 -14.091 1.493 2.090 503 H LEU 77 H LEU 77 -9.984 6.140 1.857 504 HA LEU 77 HA LEU 77 -7.702 6.615 3.540 505 HB2 LEU 77 HB2 LEU 77 -8.706 7.764 0.924 506 HB3 LEU 77 HB3 LEU 77 -7.233 8.375 1.665 507 HG LEU 77 HG LEU 77 -7.651 5.429 1.003 508 HD11 LEU 77 HD11 LEU 77 -7.756 6.845 -1.000 509 HD12 LEU 77 HD12 LEU 77 -6.251 5.899 -0.978 510 HD13 LEU 77 HD13 LEU 77 -6.227 7.625 -0.541 511 HD21 LEU 77 HD21 LEU 77 -5.159 7.060 1.676 512 HD22 LEU 77 HD22 LEU 77 -5.163 5.350 1.174 513 HD23 LEU 77 HD23 LEU 77 -5.905 5.832 2.711 514 H ARG 78 H ARG 78 -10.527 8.610 2.795 515 HA ARG 78 HA ARG 78 -9.572 10.854 4.387 516 HB2 ARG 78 HB2 ARG 78 -12.280 10.294 3.157 517 HB3 ARG 78 HB3 ARG 78 -11.917 11.757 4.085 518 HG2 ARG 78 HG2 ARG 78 -10.141 12.394 2.537 519 HG3 ARG 78 HG3 ARG 78 -10.311 10.880 1.655 520 HD2 ARG 78 HD2 ARG 78 -12.761 11.637 1.225 521 HD3 ARG 78 HD3 ARG 78 -12.204 13.244 1.712 522 HE ARG 78 HE ARG 78 -11.599 11.766 -0.760 523 HH11 ARG 78 HH11 ARG 78 -10.615 14.646 1.024 524 HH12 ARG 78 HH12 ARG 78 -9.355 14.971 -0.173 525 HH21 ARG 78 HH21 ARG 78 -10.161 12.403 -2.225 526 HH22 ARG 78 HH22 ARG 78 -9.264 13.904 -1.995 527 H ALA 79 H ALA 79 -11.403 7.979 5.232 528 HA ALA 79 HA ALA 79 -11.992 8.898 7.925 529 HB1 ALA 79 HB1 ALA 79 -11.886 6.096 6.742 530 HB2 ALA 79 HB2 ALA 79 -12.567 6.542 8.319 531 HB3 ALA 79 HB3 ALA 79 -13.315 7.151 6.831 532 H VAL 80 H VAL 80 -9.212 7.165 6.444 533 HA VAL 80 HA VAL 80 -7.717 6.936 8.947 534 HB VAL 80 HB VAL 80 -6.735 7.103 6.065 535 HG11 VAL 80 HG11 VAL 80 -4.675 6.045 6.922 536 HG12 VAL 80 HG12 VAL 80 -4.925 7.638 7.630 537 HG13 VAL 80 HG13 VAL 80 -5.294 6.188 8.585 538 HG21 VAL 80 HG21 VAL 80 -7.144 4.672 7.857 539 HG22 VAL 80 HG22 VAL 80 -8.149 5.102 6.460 540 HG23 VAL 80 HG23 VAL 80 -6.452 4.678 6.216 541 H GLY 81 H GLY 81 -7.967 9.366 6.364 542 HA2 GLY 81 HA2 GLY 81 -7.882 11.683 6.499 543 HA3 GLY 81 HA3 GLY 81 -7.441 11.575 8.212 544 H ASN 82 H ASN 82 -5.560 9.475 6.414 545 HA ASN 82 HA ASN 82 -3.308 11.255 5.850 546 HB2 ASN 82 HB2 ASN 82 -3.215 10.949 8.301 547 HB3 ASN 82 HB3 ASN 82 -3.364 9.209 8.099 548 HD21 ASN 82 HD21 ASN 82 -1.444 8.702 9.162 549 HD22 ASN 82 HD22 ASN 82 0.124 9.156 8.455 550 H MET 83 H MET 83 -1.364 9.734 5.199 551 HA MET 83 HA MET 83 -2.265 7.762 3.267 552 HB2 MET 83 HB2 MET 83 -0.293 9.437 3.076 553 HB3 MET 83 HB3 MET 83 0.547 8.406 4.230 554 HG2 MET 83 HG2 MET 83 1.337 7.503 2.308 555 HG3 MET 83 HG3 MET 83 -0.106 6.505 2.432 556 HE1 MET 83 HE1 MET 83 -2.502 8.536 1.274 557 HE2 MET 83 HE2 MET 83 -2.382 8.082 -0.433 558 HE3 MET 83 HE3 MET 83 -2.276 6.822 0.810 559 HA PRO 84 HA PRO 84 -1.585 4.506 6.358 560 HB2 PRO 84 HB2 PRO 84 -2.592 2.371 5.031 561 HB3 PRO 84 HB3 PRO 84 -3.636 3.657 5.709 562 HG2 PRO 84 HG2 PRO 84 -2.861 3.184 2.840 563 HG3 PRO 84 HG3 PRO 84 -4.389 3.806 3.518 564 HD2 PRO 84 HD2 PRO 84 -2.292 5.414 2.499 565 HD3 PRO 84 HD3 PRO 84 -3.646 5.978 3.523 566 H TYR 85 H TYR 85 0.067 5.131 3.623 567 HA TYR 85 HA TYR 85 1.640 2.654 3.363 568 HB2 TYR 85 HB2 TYR 85 1.867 5.248 1.824 569 HB3 TYR 85 HB3 TYR 85 2.488 3.676 1.353 570 HD1 TYR 85 HD1 TYR 85 -0.517 2.500 2.274 571 HD2 TYR 85 HD2 TYR 85 1.043 5.412 -0.491 572 HE1 TYR 85 HE1 TYR 85 -2.487 2.161 0.797 573 HE2 TYR 85 HE2 TYR 85 -0.929 5.068 -1.965 574 HH TYR 85 HH TYR 85 -2.772 3.756 -2.377 Start of MODEL 20 1 H ASN 14 H1 ASN 14 -3.093 -5.385 -3.498 2 HA ASN 14 HA ASN 14 -2.948 -3.141 -4.435 3 HB2 ASN 14 HB2 ASN 14 -4.447 -2.033 -2.845 4 HB3 ASN 14 HB3 ASN 14 -3.314 -2.353 -1.529 5 HD21 ASN 14 HD21 ASN 14 -3.300 -0.751 -4.824 6 HD22 ASN 14 HD22 ASN 14 -2.286 0.565 -4.241 7 HA PRO 15 HA PRO 15 1.450 -3.567 -3.281 8 HB2 PRO 15 HB2 PRO 15 2.371 -3.366 -5.824 9 HB3 PRO 15 HB3 PRO 15 1.843 -4.934 -5.170 10 HG2 PRO 15 HG2 PRO 15 0.236 -2.993 -6.872 11 HG3 PRO 15 HG3 PRO 15 0.464 -4.748 -7.133 12 HD2 PRO 15 HD2 PRO 15 -1.725 -3.696 -5.884 13 HD3 PRO 15 HD3 PRO 15 -1.043 -5.275 -5.403 14 H CYS 16 H CYS 16 2.954 -1.703 -3.757 15 HA CYS 16 HA CYS 16 1.532 0.822 -4.561 16 HB2 CYS 16 2HB CYS 16 3.415 0.180 -2.328 17 HB3 CYS 16 3HB CYS 16 3.516 1.769 -3.083 18 H LEU 17 H LEU 17 2.038 0.302 -6.823 19 HA LEU 17 HA LEU 17 4.677 -0.144 -7.805 20 HB2 LEU 17 HB2 LEU 17 2.072 0.771 -9.037 21 HB3 LEU 17 HB3 LEU 17 3.562 0.922 -9.955 22 HG LEU 17 HG LEU 17 4.035 -1.496 -9.660 23 HD11 LEU 17 HD11 LEU 17 1.216 -1.569 -8.516 24 HD12 LEU 17 HD12 LEU 17 2.721 -2.016 -7.669 25 HD13 LEU 17 HD13 LEU 17 2.155 -2.992 -9.027 26 HD21 LEU 17 HD21 LEU 17 1.345 -0.839 -10.927 27 HD22 LEU 17 HD22 LEU 17 2.382 -2.235 -11.310 28 HD23 LEU 17 HD23 LEU 17 2.936 -0.600 -11.686 29 H SER 18 H SER 18 3.087 2.870 -6.975 30 HA SER 18 HA SER 18 4.936 4.676 -8.254 31 HB2 SER 18 HB2 SER 18 3.178 5.037 -5.826 32 HB3 SER 18 HB3 SER 18 3.843 6.355 -6.836 33 HG SER 18 HG SER 18 1.813 4.472 -7.380 34 H GLU 19 H GLU 19 4.770 3.349 -4.918 35 HA GLU 19 HA GLU 19 7.210 4.658 -3.996 36 HB2 GLU 19 HB2 GLU 19 5.397 3.827 -2.465 37 HB3 GLU 19 HB3 GLU 19 5.748 2.185 -2.989 38 HG2 GLU 19 HG2 GLU 19 6.744 2.428 -0.884 39 HG3 GLU 19 HG3 GLU 19 8.072 2.417 -2.031 40 H SER 20 H SER 20 6.377 1.679 -5.681 41 HA SER 20 HA SER 20 9.004 0.431 -5.544 42 HB2 SER 20 HB2 SER 20 6.937 -0.814 -6.070 43 HB3 SER 20 HB3 SER 20 6.780 0.098 -7.579 44 HG SER 20 HG SER 20 8.590 -1.911 -6.881 45 H ASP 21 H ASP 21 7.498 2.647 -7.951 46 HA ASP 21 HA ASP 21 9.799 2.900 -9.642 47 HB2 ASP 21 HB2 ASP 21 7.678 3.647 -10.418 48 HB3 ASP 21 HB3 ASP 21 7.426 4.677 -9.015 49 H ALA 22 H ALA 22 8.839 4.757 -6.686 50 HA ALA 22 HA ALA 22 11.121 6.496 -6.777 51 HB1 ALA 22 HB1 ALA 22 10.397 7.181 -4.572 52 HB2 ALA 22 HB2 ALA 22 8.987 6.989 -5.622 53 HB3 ALA 22 HB3 ALA 22 9.360 5.737 -4.417 54 H SER 23 H SER 23 10.642 3.318 -5.204 55 HA SER 23 HA SER 23 13.241 3.148 -4.000 56 HB2 SER 23 HB2 SER 23 12.695 1.041 -3.406 57 HB3 SER 23 HB3 SER 23 11.063 1.607 -3.789 58 HG SER 23 HG SER 23 11.402 -0.382 -4.746 59 H THR 24 H THR 24 12.029 2.123 -7.215 60 HA THR 24 HA THR 24 14.474 1.123 -8.247 61 HB THR 24 HB THR 24 12.361 2.609 -9.856 62 HG1 THR 24 HG1 THR 24 11.459 0.888 -8.638 63 HG21 THR 24 HG21 THR 24 14.264 0.370 -10.672 64 HG22 THR 24 HG22 THR 24 14.482 2.083 -11.093 65 HG23 THR 24 HG23 THR 24 13.091 1.197 -11.709 66 H ARG 25 H ARG 25 13.233 4.472 -8.207 67 HA ARG 25 HA ARG 25 15.548 5.693 -9.374 68 HB2 ARG 25 HB2 ARG 25 13.272 6.688 -7.646 69 HB3 ARG 25 HB3 ARG 25 14.571 7.771 -8.151 70 HG2 ARG 25 HG2 ARG 25 13.993 7.716 -10.383 71 HG3 ARG 25 HG3 ARG 25 13.294 6.094 -10.298 72 HD2 ARG 25 HD2 ARG 25 11.609 7.834 -10.743 73 HD3 ARG 25 HD3 ARG 25 11.295 6.882 -9.292 74 HE ARG 25 HE ARG 25 12.697 9.474 -8.913 75 HH11 ARG 25 HH11 ARG 25 9.517 7.932 -8.991 76 HH12 ARG 25 HH12 ARG 25 8.849 9.202 -7.985 77 HH21 ARG 25 HH21 ARG 25 11.813 10.704 -7.289 78 HH22 ARG 25 HH22 ARG 25 10.075 10.625 -7.007 79 H CYS 26 H CYS 26 14.869 5.032 -5.900 80 HA CYS 26 HA CYS 26 17.360 6.085 -4.947 81 HB2 CYS 26 2HB CYS 26 15.582 5.493 -3.405 82 HB3 CYS 26 3HB CYS 26 15.650 3.798 -3.897 83 H LEU 27 H LEU 27 16.571 2.820 -6.140 84 HA LEU 27 HA LEU 27 19.176 1.713 -5.590 85 HB2 LEU 27 HB2 LEU 27 16.597 0.917 -6.953 86 HB3 LEU 27 HB3 LEU 27 18.025 -0.069 -7.232 87 HG LEU 27 HG LEU 27 18.323 -0.607 -5.093 88 HD11 LEU 27 HD11 LEU 27 17.127 0.081 -3.066 89 HD12 LEU 27 HD12 LEU 27 16.356 1.391 -3.978 90 HD13 LEU 27 HD13 LEU 27 18.121 1.362 -3.729 91 HD21 LEU 27 HD21 LEU 27 16.195 -1.563 -6.176 92 HD22 LEU 27 HD22 LEU 27 15.272 -0.451 -5.177 93 HD23 LEU 27 HD23 LEU 27 16.243 -1.727 -4.411 94 H ASP 28 H ASP 28 17.832 3.163 -8.369 95 HA ASP 28 HA ASP 28 20.149 3.002 -10.142 96 HB2 ASP 28 HB2 ASP 28 17.869 4.981 -9.892 97 HB3 ASP 28 HB3 ASP 28 19.211 5.247 -10.996 98 H GLU 29 H GLU 29 19.139 5.526 -7.745 99 HA GLU 29 HA GLU 29 21.327 7.233 -8.024 100 HB2 GLU 29 HB2 GLU 29 19.142 6.776 -6.073 101 HB3 GLU 29 HB3 GLU 29 20.576 7.400 -5.308 102 HG2 GLU 29 HG2 GLU 29 20.585 9.201 -7.153 103 HG3 GLU 29 HG3 GLU 29 19.005 8.596 -7.640 104 H ASN 30 H ASN 30 21.109 4.446 -5.790 105 HA ASN 30 HA ASN 30 24.023 4.676 -5.232 106 HB2 ASN 30 HB2 ASN 30 23.317 3.992 -2.873 107 HB3 ASN 30 HB3 ASN 30 23.056 5.656 -3.368 108 HD21 ASN 30 HD21 ASN 30 21.296 2.587 -3.556 109 HD22 ASN 30 HD22 ASN 30 19.715 3.302 -3.242 110 H ASN 31 H ASN 31 23.968 3.080 -7.061 111 HA ASN 31 HA ASN 31 24.068 0.878 -7.835 112 HB2 ASN 31 HB2 ASN 31 26.242 1.736 -7.150 113 HB3 ASN 31 HB3 ASN 31 26.007 1.136 -5.514 114 HD21 ASN 31 HD21 ASN 31 27.605 -0.474 -5.340 115 HD22 ASN 31 HD22 ASN 31 27.739 -1.784 -6.480 116 H TYR 32 H TYR 32 21.757 0.491 -6.900 117 HA TYR 32 HA TYR 32 20.277 -0.904 -6.084 118 HB2 TYR 32 HB2 TYR 32 22.152 -2.315 -7.600 119 HB3 TYR 32 HB3 TYR 32 21.777 -3.397 -6.287 120 HD1 TYR 32 HD2 TYR 32 18.966 -3.035 -5.684 121 HD2 TYR 32 HD1 TYR 32 20.934 -2.802 -9.518 122 HE1 TYR 32 HE2 TYR 32 16.833 -3.529 -6.810 123 HE2 TYR 32 HE1 TYR 32 18.796 -3.341 -10.653 124 HH TYR 32 HH TYR 32 16.595 -3.903 -10.386 125 H ASP 33 H ASP 33 21.691 0.223 -3.851 126 HA ASP 33 HA ASP 33 21.887 -1.751 -1.773 127 HB2 ASP 33 HB2 ASP 33 23.036 0.537 -1.917 128 HB3 ASP 33 HB3 ASP 33 21.545 1.218 -1.288 129 H ARG 34 H ARG 34 19.776 -2.589 -2.619 130 HA ARG 34 HA ARG 34 17.258 -1.613 -1.716 131 HB2 ARG 34 HB2 ARG 34 16.329 -3.618 -2.382 132 HB3 ARG 34 HB3 ARG 34 17.752 -3.477 -3.407 133 HG2 ARG 34 HG2 ARG 34 18.950 -5.032 -1.739 134 HG3 ARG 34 HG3 ARG 34 17.393 -5.236 -0.940 135 HD2 ARG 34 HD2 ARG 34 17.555 -7.090 -2.380 136 HD3 ARG 34 HD3 ARG 34 16.436 -5.984 -3.182 137 HE ARG 34 HE ARG 34 19.348 -5.977 -3.890 138 HH11 ARG 34 HH11 ARG 34 16.051 -6.679 -5.061 139 HH12 ARG 34 HH12 ARG 34 16.636 -6.866 -6.685 140 HH21 ARG 34 HH21 ARG 34 19.953 -6.312 -5.975 141 HH22 ARG 34 HH22 ARG 34 18.762 -6.734 -7.167 142 H GLU 35 H GLU 35 19.714 -2.527 0.316 143 HA GLU 35 HA GLU 35 17.871 -3.212 2.559 144 HB2 GLU 35 HB2 GLU 35 20.890 -3.222 2.389 145 HB3 GLU 35 HB3 GLU 35 19.975 -3.373 3.900 146 HG2 GLU 35 HG2 GLU 35 18.730 -5.331 2.890 147 HG3 GLU 35 HG3 GLU 35 19.815 -5.242 1.501 148 H ARG 36 H ARG 36 20.343 -0.628 1.741 149 HA ARG 36 HA ARG 36 19.332 1.095 3.867 150 HB2 ARG 36 HB2 ARG 36 21.024 1.717 1.427 151 HB3 ARG 36 HB3 ARG 36 20.535 2.908 2.636 152 HG2 ARG 36 HG2 ARG 36 21.518 1.399 4.434 153 HG3 ARG 36 HG3 ARG 36 22.239 0.432 3.129 154 HD2 ARG 36 HD2 ARG 36 23.361 2.501 2.284 155 HD3 ARG 36 HD3 ARG 36 22.616 3.418 3.593 156 HE ARG 36 HE ARG 36 24.014 2.395 5.189 157 HH11 ARG 36 HH11 ARG 36 24.642 0.845 2.055 158 HH12 ARG 36 HH12 ARG 36 26.240 0.333 2.616 159 HH21 ARG 36 HH21 ARG 36 26.057 1.594 5.727 160 HH22 ARG 36 HH22 ARG 36 26.938 0.676 4.507 161 H CYS 37 H CYS 37 18.112 0.500 0.662 162 HA CYS 37 HA CYS 37 15.935 2.446 1.326 163 HB2 CYS 37 2HB CYS 37 17.166 1.669 -1.238 164 HB3 CYS 37 3HB CYS 37 15.409 1.866 -1.261 165 H SER 38 H SER 38 16.301 -0.372 2.448 166 HA SER 38 HA SER 38 14.074 -1.929 1.537 167 HB2 SER 38 HB2 SER 38 14.184 -3.072 3.682 168 HB3 SER 38 HB3 SER 38 15.781 -2.909 2.950 169 HG SER 38 HG SER 38 16.325 -1.353 4.392 170 H THR 39 H THR 39 14.128 0.970 3.543 171 HA THR 39 HA THR 39 11.593 0.901 4.737 172 HB THR 39 HB THR 39 13.003 3.248 3.423 173 HG1 THR 39 HG1 THR 39 14.216 2.480 5.010 174 HG21 THR 39 HG21 THR 39 11.732 4.618 5.090 175 HG22 THR 39 HG22 THR 39 10.714 3.199 5.440 176 HG23 THR 39 HG23 THR 39 10.704 3.943 3.824 177 H TYR 40 H TYR 40 12.337 1.320 1.274 178 HA TYR 40 HA TYR 40 9.647 2.212 0.559 179 HB2 TYR 40 HB2 TYR 40 11.963 1.110 -1.077 180 HB3 TYR 40 HB3 TYR 40 10.420 1.624 -1.740 181 HD1 TYR 40 HD2 TYR 40 13.230 2.946 0.401 182 HD2 TYR 40 HD1 TYR 40 10.141 3.812 -2.465 183 HE1 TYR 40 HE2 TYR 40 13.985 5.326 0.301 184 HE2 TYR 40 HE1 TYR 40 10.897 6.159 -2.584 185 HH TYR 40 HH TYR 40 12.248 7.751 -1.699 186 H PHE 41 H PHE 41 11.405 -0.913 0.382 187 HA PHE 41 HA PHE 41 9.162 -2.495 -0.500 188 HB2 PHE 41 HB2 PHE 41 11.258 -3.537 -0.696 189 HB3 PHE 41 HB3 PHE 41 11.738 -3.117 0.945 190 HD1 PHE 41 HD1 PHE 41 8.898 -5.015 -0.700 191 HD2 PHE 41 HD2 PHE 41 11.804 -4.857 2.485 192 HE1 PHE 41 HE1 PHE 41 7.946 -7.092 0.270 193 HE2 PHE 41 HE2 PHE 41 10.858 -6.946 3.444 194 HZ PHE 41 HZ PHE 41 8.910 -8.044 2.364 195 H LEU 42 H LEU 42 10.276 -1.584 2.783 196 HA LEU 42 HA LEU 42 8.284 -2.977 4.212 197 HB2 LEU 42 HB2 LEU 42 10.247 -2.110 5.343 198 HB3 LEU 42 HB3 LEU 42 9.942 -0.491 4.741 199 HG LEU 42 HG LEU 42 7.960 -0.277 6.203 200 HD11 LEU 42 HD11 LEU 42 8.899 -2.953 7.313 201 HD12 LEU 42 HD12 LEU 42 7.344 -2.626 6.508 202 HD13 LEU 42 HD13 LEU 42 7.708 -1.881 8.075 203 HD21 LEU 42 HD21 LEU 42 9.212 -0.010 8.290 204 HD22 LEU 42 HD22 LEU 42 10.144 0.581 6.908 205 HD23 LEU 42 HD23 LEU 42 10.540 -0.989 7.634 206 H ARG 43 H ARG 43 8.178 0.484 3.205 207 HA ARG 43 HA ARG 43 5.437 0.854 3.990 208 HB2 ARG 43 HB2 ARG 43 7.143 2.235 1.894 209 HB3 ARG 43 HB3 ARG 43 5.503 2.745 2.349 210 HG2 ARG 43 HG2 ARG 43 6.215 3.023 4.695 211 HG3 ARG 43 HG3 ARG 43 7.840 2.508 4.277 212 HD2 ARG 43 HD2 ARG 43 7.887 4.899 4.337 213 HD3 ARG 43 HD3 ARG 43 7.934 4.464 2.629 214 HE ARG 43 HE ARG 43 5.425 5.257 4.106 215 HH11 ARG 43 HH11 ARG 43 7.190 5.451 1.047 216 HH12 ARG 43 HH12 ARG 43 6.052 6.608 0.413 217 HH21 ARG 43 HH21 ARG 43 3.981 6.575 3.130 218 HH22 ARG 43 HH22 ARG 43 4.331 7.231 1.543 219 H TYR 44 H TYR 44 6.821 -0.623 1.166 220 HA TYR 44 HA TYR 44 4.377 -0.616 -0.436 221 HB2 TYR 44 HB2 TYR 44 6.542 -0.737 -1.478 222 HB3 TYR 44 HB3 TYR 44 6.961 -2.184 -0.599 223 HD1 TYR 44 HD2 TYR 44 5.948 -4.386 -1.148 224 HD2 TYR 44 HD1 TYR 44 5.398 -0.861 -3.551 225 HE1 TYR 44 HE2 TYR 44 5.424 -5.814 -3.117 226 HE2 TYR 44 HE1 TYR 44 4.830 -2.297 -5.526 227 HH TYR 44 HH TYR 44 5.100 -5.833 -5.407 228 H LYS 45 H LYS 45 5.875 -3.027 1.780 229 HA LYS 45 HA LYS 45 3.541 -4.775 1.551 230 HB2 LYS 45 HB2 LYS 45 6.022 -5.394 2.083 231 HB3 LYS 45 HB3 LYS 45 5.587 -5.012 3.756 232 HG2 LYS 45 HG2 LYS 45 3.746 -6.676 3.645 233 HG3 LYS 45 HG3 LYS 45 4.083 -6.961 1.928 234 HD2 LYS 45 HD2 LYS 45 6.359 -7.813 2.525 235 HD3 LYS 45 HD3 LYS 45 5.987 -7.523 4.226 236 HE2 LYS 45 HE2 LYS 45 5.565 -9.813 3.967 237 HE3 LYS 45 HE3 LYS 45 3.960 -9.078 3.911 238 HZ1 LYS 45 HZ1 LYS 45 5.556 -10.009 1.572 239 HZ2 LYS 45 HZ2 LYS 45 4.131 -9.210 1.433 240 HZ3 LYS 45 HZ3 LYS 45 4.183 -10.687 2.136 241 H ASN 46 H ASN 46 4.361 -2.064 3.649 242 HA ASN 46 HA ASN 46 2.149 -2.453 5.466 243 HB2 ASN 46 HB2 ASN 46 3.389 0.187 4.621 244 HB3 ASN 46 HB3 ASN 46 2.406 -0.101 6.038 245 HD21 ASN 46 HD21 ASN 46 4.816 1.120 6.326 246 HD22 ASN 46 HD22 ASN 46 6.063 0.042 6.877 247 H CYS 47 H CYS 47 2.348 -0.857 2.215 248 HA CYS 47 HA CYS 47 -0.353 -0.022 2.001 249 HB2 CYS 47 2HB CYS 47 1.283 -1.291 -0.241 250 HB3 CYS 47 3HB CYS 47 -0.124 -0.275 -0.383 251 H ARG 48 H ARG 48 1.138 -3.159 1.078 252 HA ARG 48 HA ARG 48 -1.212 -4.546 0.399 253 HB2 ARG 48 HB2 ARG 48 1.239 -5.688 1.832 254 HB3 ARG 48 HB3 ARG 48 0.024 -6.650 1.047 255 HG2 ARG 48 HG2 ARG 48 1.506 -4.593 -0.615 256 HG3 ARG 48 HG3 ARG 48 2.358 -6.021 -0.047 257 HD2 ARG 48 HD2 ARG 48 0.137 -7.243 -1.047 258 HD3 ARG 48 HD3 ARG 48 0.189 -5.811 -2.084 259 HE ARG 48 HE ARG 48 2.685 -7.381 -1.661 260 HH11 ARG 48 HH11 ARG 48 -0.022 -7.074 -3.883 261 HH12 ARG 48 HH12 ARG 48 0.971 -7.426 -5.270 262 HH21 ARG 48 HH21 ARG 48 3.807 -8.075 -3.424 263 HH22 ARG 48 HH22 ARG 48 3.056 -8.053 -4.993 264 H ARG 49 H ARG 49 0.358 -4.567 3.627 265 HA ARG 49 HA ARG 49 -1.641 -6.046 4.956 266 HB2 ARG 49 HB2 ARG 49 0.694 -5.519 5.758 267 HB3 ARG 49 HB3 ARG 49 0.136 -3.898 6.192 268 HG2 ARG 49 HG2 ARG 49 -1.520 -4.910 7.777 269 HG3 ARG 49 HG3 ARG 49 -0.983 -6.522 7.285 270 HD2 ARG 49 HD2 ARG 49 1.366 -5.824 8.032 271 HD3 ARG 49 HD3 ARG 49 0.614 -4.368 8.721 272 HE ARG 49 HE ARG 49 -0.649 -6.818 9.652 273 HH11 ARG 49 HH11 ARG 49 2.316 -4.998 10.159 274 HH12 ARG 49 HH12 ARG 49 2.466 -5.584 11.811 275 HH21 ARG 49 HH21 ARG 49 -0.407 -7.437 11.756 276 HH22 ARG 49 HH22 ARG 49 1.154 -7.212 12.517 277 H PHE 50 H PHE 50 -1.540 -2.489 4.516 278 HA PHE 50 HA PHE 50 -3.804 -1.956 6.172 279 HB2 PHE 50 HB2 PHE 50 -2.334 -0.171 5.266 280 HB3 PHE 50 HB3 PHE 50 -2.855 -0.514 3.644 281 HD1 PHE 50 HD1 PHE 50 -4.150 0.586 7.002 282 HD2 PHE 50 HD2 PHE 50 -4.837 0.444 2.752 283 HE1 PHE 50 HE1 PHE 50 -6.218 1.940 7.273 284 HE2 PHE 50 HE2 PHE 50 -6.905 1.777 3.026 285 HZ PHE 50 HZ PHE 50 -7.617 2.497 5.302 286 H TRP 51 H TRP 51 -3.625 -2.294 2.614 287 HA TRP 51 HA TRP 51 -6.506 -2.234 2.374 288 HB2 TRP 51 HB2 TRP 51 -4.298 -2.874 0.426 289 HB3 TRP 51 HB3 TRP 51 -5.999 -2.852 -0.022 290 HD1 TRP 51 HD1 TRP 51 -3.071 -0.532 0.317 291 HE1 TRP 51 HE1 TRP 51 -3.784 1.834 -0.317 292 HE3 TRP 51 HE3 TRP 51 -8.171 -1.032 0.755 293 HZ2 TRP 51 HZ2 TRP 51 -6.144 3.411 -0.243 294 HZ3 TRP 51 HZ3 TRP 51 -9.603 1.005 0.625 295 HH2 TRP 51 HH2 TRP 51 -8.598 3.223 0.147 296 H ASN 52 H ASN 52 -4.261 -4.985 2.722 297 HA ASN 52 HA ASN 52 -6.189 -7.076 2.332 298 HB2 ASN 52 HB2 ASN 52 -3.567 -6.800 3.868 299 HB3 ASN 52 HB3 ASN 52 -4.511 -8.252 3.875 300 HD21 ASN 52 HD21 ASN 52 -1.944 -8.424 3.001 301 HD22 ASN 52 HD22 ASN 52 -1.968 -8.729 1.255 302 H SER 53 H SER 53 -5.340 -5.027 5.185 303 HA SER 53 HA SER 53 -7.087 -6.434 6.996 304 HB2 SER 53 HB2 SER 53 -6.163 -3.542 7.152 305 HB3 SER 53 HB3 SER 53 -6.907 -4.497 8.443 306 HG SER 53 HG SER 53 -4.410 -4.918 7.151 307 H ILE 54 H ILE 54 -7.620 -3.624 4.786 308 HA ILE 54 HA ILE 54 -10.381 -3.229 5.526 309 HB ILE 54 HB ILE 54 -8.883 -2.681 2.938 310 HG12 ILE 54 HG12 ILE 54 -7.939 -1.421 4.787 311 HG13 ILE 54 HG13 ILE 54 -8.771 -0.370 3.685 312 HG21 ILE 54 HG21 ILE 54 -11.652 -1.729 3.758 313 HG22 ILE 54 HG22 ILE 54 -10.689 -1.084 2.406 314 HG23 ILE 54 HG23 ILE 54 -11.229 -2.759 2.374 315 HD11 ILE 54 HD11 ILE 54 -9.807 -1.296 6.411 316 HD12 ILE 54 HD12 ILE 54 -9.176 0.304 6.000 317 HD13 ILE 54 HD13 ILE 54 -10.703 -0.240 5.289 318 H VAL 55 H VAL 55 -8.880 -5.315 3.029 319 HA VAL 55 HA VAL 55 -11.242 -6.544 2.073 320 HB VAL 55 HB VAL 55 -8.370 -7.459 2.318 321 HG11 VAL 55 HG11 VAL 55 -10.565 -9.078 0.980 322 HG12 VAL 55 HG12 VAL 55 -8.822 -9.338 0.808 323 HG13 VAL 55 HG13 VAL 55 -9.583 -9.569 2.377 324 HG21 VAL 55 HG21 VAL 55 -9.045 -5.657 0.692 325 HG22 VAL 55 HG22 VAL 55 -8.304 -7.086 -0.034 326 HG23 VAL 55 HG23 VAL 55 -10.063 -6.859 -0.124 327 H MET 56 H MET 56 -9.154 -7.647 4.836 328 HA MET 56 HA MET 56 -10.874 -9.776 5.617 329 HB2 MET 56 HB2 MET 56 -8.699 -8.180 6.967 330 HB3 MET 56 HB3 MET 56 -9.713 -9.238 7.943 331 HG2 MET 56 HG2 MET 56 -8.172 -10.161 5.501 332 HG3 MET 56 HG3 MET 56 -7.651 -10.337 7.181 333 HE1 MET 56 HE1 MET 56 -8.479 -14.047 6.450 334 HE2 MET 56 HE2 MET 56 -7.689 -12.875 5.372 335 HE3 MET 56 HE3 MET 56 -7.308 -12.885 7.111 336 H GLN 57 H GLN 57 -10.998 -6.340 6.551 337 HA GLN 57 HA GLN 57 -13.107 -6.736 8.501 338 HB2 GLN 57 HB2 GLN 57 -11.898 -4.290 7.140 339 HB3 GLN 57 HB3 GLN 57 -13.245 -4.167 8.262 340 HG2 GLN 57 HG2 GLN 57 -10.488 -5.292 8.910 341 HG3 GLN 57 HG3 GLN 57 -11.160 -3.764 9.466 342 HE21 GLN 57 HE21 GLN 57 -10.469 -6.787 10.576 343 HE22 GLN 57 HE22 GLN 57 -11.840 -7.078 11.637 344 H ARG 58 H ARG 58 -13.173 -6.108 5.020 345 HA ARG 58 HA ARG 58 -16.124 -6.006 5.050 346 HB2 ARG 58 HB2 ARG 58 -14.058 -6.228 2.803 347 HB3 ARG 58 HB3 ARG 58 -15.807 -6.150 2.535 348 HG2 ARG 58 HG2 ARG 58 -15.917 -3.948 3.611 349 HG3 ARG 58 HG3 ARG 58 -14.185 -3.961 3.926 350 HD2 ARG 58 HD2 ARG 58 -13.602 -3.605 1.709 351 HD3 ARG 58 HD3 ARG 58 -15.054 -4.386 1.081 352 HE ARG 58 HE ARG 58 -15.610 -1.907 2.542 353 HH11 ARG 58 HH11 ARG 58 -15.274 -3.242 -0.750 354 HH12 ARG 58 HH12 ARG 58 -15.934 -1.770 -1.428 355 HH21 ARG 58 HH21 ARG 58 -16.541 -0.216 1.568 356 HH22 ARG 58 HH22 ARG 58 -16.905 -0.326 -0.129 357 H ARG 59 H ARG 59 -13.680 -8.450 4.518 358 HA ARG 59 HA ARG 59 -15.380 -10.519 3.533 359 HB2 ARG 59 HB2 ARG 59 -12.994 -10.497 3.162 360 HB3 ARG 59 HB3 ARG 59 -12.682 -10.707 4.890 361 HG2 ARG 59 HG2 ARG 59 -13.490 -12.943 4.881 362 HG3 ARG 59 HG3 ARG 59 -14.246 -12.762 3.283 363 HD2 ARG 59 HD2 ARG 59 -12.146 -12.646 2.175 364 HD3 ARG 59 HD3 ARG 59 -11.252 -12.485 3.704 365 HE ARG 59 HE ARG 59 -12.819 -14.975 3.114 366 HH11 ARG 59 HH11 ARG 59 -9.574 -13.617 3.544 367 HH12 ARG 59 HH12 ARG 59 -8.902 -15.193 3.835 368 HH21 ARG 59 HH21 ARG 59 -11.776 -16.933 3.289 369 HH22 ARG 59 HH22 ARG 59 -10.095 -16.988 3.745 370 H LYS 60 H LYS 60 -14.815 -9.553 6.871 371 HA LYS 60 HA LYS 60 -15.889 -11.758 8.206 372 HB2 LYS 60 HB2 LYS 60 -16.324 -10.368 10.017 373 HB3 LYS 60 HB3 LYS 60 -14.977 -9.585 9.178 374 HG2 LYS 60 HG2 LYS 60 -16.668 -8.019 8.137 375 HG3 LYS 60 HG3 LYS 60 -17.914 -8.786 9.133 376 HD2 LYS 60 HD2 LYS 60 -16.779 -8.158 11.184 377 HD3 LYS 60 HD3 LYS 60 -15.453 -7.403 10.265 378 HE2 LYS 60 HE2 LYS 60 -16.870 -5.705 9.379 379 HE3 LYS 60 HE3 LYS 60 -18.340 -6.562 9.857 380 HZ1 LYS 60 HZ1 LYS 60 -17.816 -6.151 12.199 381 HZ2 LYS 60 HZ2 LYS 60 -17.902 -4.752 11.392 382 HZ3 LYS 60 HZ3 LYS 60 -16.428 -5.365 11.797 383 H ASN 61 H ASN 61 -17.760 -9.451 6.251 384 HA ASN 61 HA ASN 61 -20.264 -10.857 6.998 385 HB2 ASN 61 HB2 ASN 61 -19.688 -8.210 5.642 386 HB3 ASN 61 HB3 ASN 61 -21.276 -8.966 5.593 387 HD21 ASN 61 HD21 ASN 61 -19.195 -7.053 7.531 388 HD22 ASN 61 HD22 ASN 61 -20.326 -6.947 8.873 389 H GLY 62 H GLY 62 -17.939 -11.183 4.546 390 HA2 GLY 62 HA2 GLY 62 -17.852 -12.619 2.782 391 HA3 GLY 62 HA3 GLY 62 -19.396 -13.255 3.316 392 H VAL 63 H VAL 63 -19.760 -10.014 2.496 393 HA VAL 63 HA VAL 63 -21.522 -10.944 0.324 394 HB VAL 63 HB VAL 63 -22.691 -10.253 2.168 395 HG11 VAL 63 HG11 VAL 63 -20.999 -8.889 3.358 396 HG12 VAL 63 HG12 VAL 63 -21.291 -7.555 2.237 397 HG13 VAL 63 HG13 VAL 63 -22.582 -8.123 3.296 398 HG21 VAL 63 HG21 VAL 63 -22.892 -7.814 0.358 399 HG22 VAL 63 HG22 VAL 63 -23.600 -9.395 -0.012 400 HG23 VAL 63 HG23 VAL 63 -24.133 -8.504 1.417 401 H LYS 64 H LYS 64 -20.254 -7.665 0.842 402 HA LYS 64 HA LYS 64 -20.427 -6.901 -1.925 403 HB2 LYS 64 HB2 LYS 64 -19.358 -4.816 -1.028 404 HB3 LYS 64 HB3 LYS 64 -20.723 -5.328 -0.056 405 HG2 LYS 64 HG2 LYS 64 -19.389 -5.879 1.768 406 HG3 LYS 64 HG3 LYS 64 -18.021 -6.365 0.775 407 HD2 LYS 64 HD2 LYS 64 -17.516 -4.359 2.036 408 HD3 LYS 64 HD3 LYS 64 -17.385 -4.165 0.292 409 HE2 LYS 64 HE2 LYS 64 -18.342 -2.146 1.241 410 HE3 LYS 64 HE3 LYS 64 -19.579 -2.951 0.278 411 HZ1 LYS 64 HZ1 LYS 64 -20.386 -2.148 2.428 412 HZ2 LYS 64 HZ2 LYS 64 -19.366 -3.152 3.245 413 HZ3 LYS 64 HZ3 LYS 64 -20.557 -3.779 2.322 414 HA PRO 65 HA PRO 65 -16.193 -7.553 -3.435 415 HB2 PRO 65 HB2 PRO 65 -15.407 -5.066 -4.340 416 HB3 PRO 65 HB3 PRO 65 -16.503 -6.172 -5.224 417 HG2 PRO 65 HG2 PRO 65 -17.301 -3.884 -3.399 418 HG3 PRO 65 HG3 PRO 65 -17.849 -4.205 -5.080 419 HD2 PRO 65 HD2 PRO 65 -19.375 -5.032 -3.062 420 HD3 PRO 65 HD3 PRO 65 -19.059 -6.147 -4.405 421 H PHE 66 H PHE 66 -14.715 -7.954 -1.954 422 HA PHE 66 HA PHE 66 -14.216 -6.352 0.374 423 HB2 PHE 66 HB2 PHE 66 -12.417 -8.491 -0.786 424 HB3 PHE 66 HB3 PHE 66 -12.476 -7.911 0.867 425 HD1 PHE 66 HD2 PHE 66 -15.647 -7.968 1.048 426 HD2 PHE 66 HD1 PHE 66 -12.660 -10.772 -0.292 427 HE1 PHE 66 HE2 PHE 66 -17.167 -9.833 1.592 428 HE2 PHE 66 HE1 PHE 66 -14.172 -12.654 0.294 429 HZ PHE 66 HZ PHE 66 -16.410 -12.188 1.262 430 H MET 67 H MET 67 -12.204 -6.946 -2.535 431 HA MET 67 HA MET 67 -10.357 -4.786 -2.023 432 HB2 MET 67 HB2 MET 67 -11.036 -6.470 -4.427 433 HB3 MET 67 HB3 MET 67 -10.040 -5.028 -4.606 434 HG2 MET 67 HG2 MET 67 -9.441 -7.307 -2.698 435 HG3 MET 67 HG3 MET 67 -8.686 -7.051 -4.270 436 HE1 MET 67 HE1 MET 67 -7.092 -7.636 -1.823 437 HE2 MET 67 HE2 MET 67 -6.230 -7.171 -3.304 438 HE3 MET 67 HE3 MET 67 -5.806 -6.411 -1.747 439 HA PRO 68 HA PRO 68 -13.734 -1.921 -2.745 440 HB2 PRO 68 HB2 PRO 68 -12.489 0.436 -2.007 441 HB3 PRO 68 HB3 PRO 68 -13.044 -0.819 -0.857 442 HG2 PRO 68 HG2 PRO 68 -10.266 -0.383 -1.982 443 HG3 PRO 68 HG3 PRO 68 -10.752 -0.691 -0.282 444 HD2 PRO 68 HD2 PRO 68 -9.814 -2.654 -1.926 445 HD3 PRO 68 HD3 PRO 68 -11.059 -2.946 -0.685 446 H THR 69 H THR 69 -14.523 -0.370 -4.191 447 HA THR 69 HA THR 69 -13.072 0.000 -6.707 448 HB THR 69 HB THR 69 -15.133 0.916 -7.525 449 HG1 THR 69 HG1 THR 69 -16.817 1.370 -6.220 450 HG21 THR 69 HG21 THR 69 -16.720 -0.876 -7.126 451 HG22 THR 69 HG22 THR 69 -15.888 -1.367 -5.648 452 HG23 THR 69 HG23 THR 69 -15.088 -1.569 -7.219 453 H ALA 70 H ALA 70 -13.340 2.335 -7.691 454 HA ALA 70 HA ALA 70 -11.381 3.843 -6.400 455 HB1 ALA 70 HB1 ALA 70 -13.382 4.817 -8.466 456 HB2 ALA 70 HB2 ALA 70 -11.811 5.558 -8.090 457 HB3 ALA 70 HB3 ALA 70 -11.879 3.938 -8.802 458 H ALA 71 H ALA 71 -14.907 4.605 -6.238 459 HA ALA 71 HA ALA 71 -14.502 6.916 -4.536 460 HB1 ALA 71 HB1 ALA 71 -16.978 5.218 -5.051 461 HB2 ALA 71 HB2 ALA 71 -16.941 6.834 -4.316 462 HB3 ALA 71 HB3 ALA 71 -16.462 6.633 -6.009 463 H GLU 72 H GLU 72 -14.689 3.450 -3.878 464 HA GLU 72 HA GLU 72 -15.288 3.738 -1.054 465 HB2 GLU 72 HB2 GLU 72 -14.374 1.376 -2.694 466 HB3 GLU 72 HB3 GLU 72 -14.818 1.341 -0.978 467 HG2 GLU 72 HG2 GLU 72 -17.064 2.277 -1.617 468 HG3 GLU 72 HG3 GLU 72 -16.633 2.106 -3.317 469 H ARG 73 H ARG 73 -12.425 2.936 -3.064 470 HA ARG 73 HA ARG 73 -10.387 3.090 -1.110 471 HB2 ARG 73 HB2 ARG 73 -10.387 3.947 -4.050 472 HB3 ARG 73 HB3 ARG 73 -8.935 3.874 -3.046 473 HG2 ARG 73 HG2 ARG 73 -9.312 1.476 -2.649 474 HG3 ARG 73 HG3 ARG 73 -10.723 1.494 -3.706 475 HD2 ARG 73 HD2 ARG 73 -7.833 2.020 -4.479 476 HD3 ARG 73 HD3 ARG 73 -8.740 0.557 -4.819 477 HE ARG 73 HE ARG 73 -8.973 3.210 -6.141 478 HH11 ARG 73 HH11 ARG 73 -10.328 -0.052 -6.136 479 HH12 ARG 73 HH12 ARG 73 -10.389 -0.102 -7.889 480 HH21 ARG 73 HH21 ARG 73 -9.347 3.136 -8.345 481 HH22 ARG 73 HH22 ARG 73 -10.193 1.785 -9.022 482 H ASP 74 H ASP 74 -12.008 5.733 -2.869 483 HA ASP 74 HA ASP 74 -10.481 7.839 -1.708 484 HB2 ASP 74 HB2 ASP 74 -11.895 8.044 -3.725 485 HB3 ASP 74 HB3 ASP 74 -13.340 7.877 -2.733 486 H GLU 75 H GLU 75 -13.779 6.627 -0.644 487 HA GLU 75 HA GLU 75 -13.729 8.336 1.670 488 HB2 GLU 75 HB2 GLU 75 -15.687 7.334 2.386 489 HB3 GLU 75 HB3 GLU 75 -15.806 7.443 0.640 490 HG2 GLU 75 HG2 GLU 75 -15.413 5.086 0.405 491 HG3 GLU 75 HG3 GLU 75 -14.998 4.877 2.099 492 H ILE 76 H ILE 76 -12.372 5.154 1.165 493 HA ILE 76 HA ILE 76 -11.982 4.565 3.992 494 HB ILE 76 HB ILE 76 -10.952 3.343 1.417 495 HG12 ILE 76 HG12 ILE 76 -12.780 2.085 3.509 496 HG13 ILE 76 HG13 ILE 76 -13.446 3.157 2.298 497 HG21 ILE 76 HG21 ILE 76 -10.137 1.468 2.909 498 HG22 ILE 76 HG22 ILE 76 -9.223 2.980 3.054 499 HG23 ILE 76 HG23 ILE 76 -10.409 2.539 4.302 500 HD11 ILE 76 HD11 ILE 76 -12.044 0.537 1.733 501 HD12 ILE 76 HD12 ILE 76 -13.761 0.943 1.514 502 HD13 ILE 76 HD13 ILE 76 -12.548 1.682 0.477 503 H LEU 77 H LEU 77 -9.862 5.887 1.381 504 HA LEU 77 HA LEU 77 -7.627 6.443 3.116 505 HB2 LEU 77 HB2 LEU 77 -8.688 7.587 0.523 506 HB3 LEU 77 HB3 LEU 77 -7.302 8.317 1.312 507 HG LEU 77 HG LEU 77 -7.401 5.348 0.630 508 HD11 LEU 77 HD11 LEU 77 -6.136 5.904 -1.379 509 HD12 LEU 77 HD12 LEU 77 -6.200 7.635 -0.963 510 HD13 LEU 77 HD13 LEU 77 -7.694 6.763 -1.370 511 HD21 LEU 77 HD21 LEU 77 -5.688 5.957 2.313 512 HD22 LEU 77 HD22 LEU 77 -5.094 7.249 1.253 513 HD23 LEU 77 HD23 LEU 77 -4.924 5.547 0.767 514 H ARG 78 H ARG 78 -10.619 8.212 2.456 515 HA ARG 78 HA ARG 78 -9.978 10.471 4.176 516 HB2 ARG 78 HB2 ARG 78 -12.665 9.385 3.279 517 HB3 ARG 78 HB3 ARG 78 -12.498 10.759 4.362 518 HG2 ARG 78 HG2 ARG 78 -11.201 12.001 2.671 519 HG3 ARG 78 HG3 ARG 78 -11.308 10.630 1.569 520 HD2 ARG 78 HD2 ARG 78 -12.957 12.215 0.895 521 HD3 ARG 78 HD3 ARG 78 -13.805 10.830 1.598 522 HE ARG 78 HE ARG 78 -13.412 12.770 3.664 523 HH11 ARG 78 HH11 ARG 78 -15.340 12.445 0.736 524 HH12 ARG 78 HH12 ARG 78 -16.517 13.609 1.325 525 HH21 ARG 78 HH21 ARG 78 -14.923 14.114 4.320 526 HH22 ARG 78 HH22 ARG 78 -16.309 14.535 3.312 527 H ALA 79 H ALA 79 -11.435 7.295 4.851 528 HA ALA 79 HA ALA 79 -11.832 7.806 7.653 529 HB1 ALA 79 HB1 ALA 79 -13.023 6.060 6.381 530 HB2 ALA 79 HB2 ALA 79 -11.514 5.144 6.217 531 HB3 ALA 79 HB3 ALA 79 -12.220 5.409 7.819 532 H VAL 80 H VAL 80 -8.868 6.810 5.892 533 HA VAL 80 HA VAL 80 -7.396 6.398 8.395 534 HB VAL 80 HB VAL 80 -6.305 7.108 5.643 535 HG11 VAL 80 HG11 VAL 80 -4.242 6.062 6.511 536 HG12 VAL 80 HG12 VAL 80 -4.694 7.443 7.512 537 HG13 VAL 80 HG13 VAL 80 -5.027 5.794 8.082 538 HG21 VAL 80 HG21 VAL 80 -7.552 4.986 5.494 539 HG22 VAL 80 HG22 VAL 80 -5.822 4.688 5.425 540 HG23 VAL 80 HG23 VAL 80 -6.715 4.380 6.934 541 H GLY 81 H GLY 81 -7.944 9.118 6.126 542 HA2 GLY 81 HA2 GLY 81 -7.945 11.400 6.524 543 HA3 GLY 81 HA3 GLY 81 -7.528 11.108 8.215 544 H ASN 82 H ASN 82 -5.357 9.370 6.554 545 HA ASN 82 HA ASN 82 -3.497 11.371 5.572 546 HB2 ASN 82 HB2 ASN 82 -3.119 11.260 8.134 547 HB3 ASN 82 HB3 ASN 82 -2.581 9.600 7.897 548 HD21 ASN 82 HD21 ASN 82 -1.915 12.996 6.880 549 HD22 ASN 82 HD22 ASN 82 -0.257 12.654 6.376 550 H MET 83 H MET 83 -1.256 9.840 5.151 551 HA MET 83 HA MET 83 -2.064 7.761 3.317 552 HB2 MET 83 HB2 MET 83 -0.056 9.448 3.228 553 HB3 MET 83 HB3 MET 83 0.717 8.350 4.353 554 HG2 MET 83 HG2 MET 83 1.542 7.598 2.371 555 HG3 MET 83 HG3 MET 83 0.172 6.513 2.518 556 HE1 MET 83 HE1 MET 83 -2.415 8.054 1.268 557 HE2 MET 83 HE2 MET 83 -2.111 7.580 -0.412 558 HE3 MET 83 HE3 MET 83 -1.765 6.431 0.897 559 HA PRO 84 HA PRO 84 -1.893 4.711 6.679 560 HB2 PRO 84 HB2 PRO 84 -2.424 2.424 5.248 561 HB3 PRO 84 HB3 PRO 84 -3.655 3.606 5.766 562 HG2 PRO 84 HG2 PRO 84 -2.498 3.185 3.029 563 HG3 PRO 84 HG3 PRO 84 -4.119 3.752 3.505 564 HD2 PRO 84 HD2 PRO 84 -1.981 5.412 2.704 565 HD3 PRO 84 HD3 PRO 84 -3.456 5.965 3.549 566 H TYR 85 H TYR 85 0.285 5.135 4.168 567 HA TYR 85 HA TYR 85 2.281 3.331 5.409 568 HB2 TYR 85 HB2 TYR 85 3.249 3.074 3.070 569 HB3 TYR 85 HB3 TYR 85 1.829 2.149 3.493 570 HD1 TYR 85 HD1 TYR 85 -0.346 2.572 2.496 571 HD2 TYR 85 HD2 TYR 85 3.119 4.829 1.340 572 HE1 TYR 85 HE1 TYR 85 -1.554 3.391 0.453 573 HE2 TYR 85 HE2 TYR 85 1.911 5.679 -0.664 574 HH TYR 85 HH TYR 85 -0.054 5.703 -1.817
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