NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
516290 | 2jmp | 15055 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -6.758 15.022 -7.427 2 HA MET 1 HA MET 1 -8.906 15.225 -6.993 3 1HB MET 1 1HB MET 1 -9.151 13.735 -9.626 4 2HB MET 1 2HB MET 1 -10.467 14.615 -8.845 5 1HG MET 1 1HG MET 1 -7.819 15.896 -9.565 6 2HG MET 1 2HG MET 1 -9.225 15.921 -10.630 7 1HE MET 1 1HE MET 1 -8.693 18.497 -10.544 8 2HE MET 1 2HE MET 1 -9.951 19.405 -9.709 9 3HE MET 1 3HE MET 1 -10.396 18.079 -10.781 10 H GLU 2 H GLU 2 -10.340 12.654 -8.571 11 HA GLU 2 HA GLU 2 -11.131 11.391 -6.135 12 1HB GLU 2 1HB GLU 2 -11.424 10.305 -8.942 13 2HB GLU 2 2HB GLU 2 -12.393 9.893 -7.528 14 1HG GLU 2 1HG GLU 2 -13.001 12.387 -7.420 15 2HG GLU 2 2HG GLU 2 -12.330 12.503 -9.047 16 H GLN 3 H GLN 3 -8.461 11.013 -8.254 17 HA GLN 3 HA GLN 3 -7.780 8.373 -8.187 18 1HB GLN 3 1HB GLN 3 -6.466 10.373 -9.143 19 2HB GLN 3 2HB GLN 3 -5.741 10.499 -7.540 20 1HG GLN 3 1HG GLN 3 -5.045 8.106 -7.713 21 2HG GLN 3 2HG GLN 3 -5.669 8.079 -9.362 22 1HE2 GLN 3 1HE2 GLN 3 -4.802 10.706 -10.178 23 2HE2 GLN 3 2HE2 GLN 3 -3.106 10.697 -10.238 24 H PHE 4 H PHE 4 -6.351 10.590 -5.791 25 HA PHE 4 HA PHE 4 -5.441 8.772 -3.956 26 1HB PHE 4 1HB PHE 4 -6.861 11.096 -2.775 27 2HB PHE 4 2HB PHE 4 -5.203 10.545 -2.537 28 HD1 PHE 4 HD1 PHE 4 -3.773 10.623 -4.872 29 HD2 PHE 4 HD2 PHE 4 -7.091 13.149 -3.840 30 HE1 PHE 4 HE1 PHE 4 -2.972 12.334 -6.480 31 HE2 PHE 4 HE2 PHE 4 -6.290 14.858 -5.448 32 HZ PHE 4 HZ PHE 4 -4.231 14.451 -6.767 33 H ASN 5 H ASN 5 -8.715 10.148 -4.098 34 HA ASN 5 HA ASN 5 -9.788 8.759 -1.908 35 1HB ASN 5 1HB ASN 5 -10.837 10.691 -3.172 36 2HB ASN 5 2HB ASN 5 -11.313 9.520 -4.402 37 1HD2 ASN 5 1HD2 ASN 5 -11.340 7.832 -1.531 38 2HD2 ASN 5 2HD2 ASN 5 -12.969 8.045 -1.104 39 H ALA 6 H ALA 6 -9.202 7.782 -5.213 40 HA ALA 6 HA ALA 6 -10.822 5.398 -5.051 41 1HB ALA 6 1HB ALA 6 -8.641 5.941 -7.062 42 2HB ALA 6 2HB ALA 6 -10.236 6.683 -7.176 43 3HB ALA 6 3HB ALA 6 -10.072 4.929 -7.252 44 H PHE 7 H PHE 7 -7.290 5.901 -5.359 45 HA PHE 7 HA PHE 7 -6.615 3.209 -4.831 46 1HB PHE 7 1HB PHE 7 -4.694 4.078 -5.621 47 2HB PHE 7 2HB PHE 7 -5.216 5.720 -5.268 48 HD1 PHE 7 HD1 PHE 7 -4.796 6.720 -3.031 49 HD2 PHE 7 HD2 PHE 7 -3.281 2.846 -4.101 50 HE1 PHE 7 HE1 PHE 7 -3.228 6.803 -1.111 51 HE2 PHE 7 HE2 PHE 7 -1.713 2.929 -2.182 52 HZ PHE 7 HZ PHE 7 -1.686 4.908 -0.687 53 H LYS 8 H LYS 8 -6.686 6.064 -2.712 54 HA LYS 8 HA LYS 8 -5.792 4.772 -0.374 55 1HB LYS 8 1HB LYS 8 -6.026 7.285 -0.847 56 2HB LYS 8 2HB LYS 8 -7.713 7.088 -0.372 57 1HG LYS 8 1HG LYS 8 -7.155 6.484 1.832 58 2HG LYS 8 2HG LYS 8 -5.502 6.041 1.397 59 1HD LYS 8 1HD LYS 8 -5.640 8.215 2.630 60 2HD LYS 8 2HD LYS 8 -4.926 8.377 1.025 61 1HE LYS 8 1HE LYS 8 -6.971 9.249 0.112 62 2HE LYS 8 2HE LYS 8 -7.866 8.844 1.577 63 1HZ LYS 8 1HZ LYS 8 -7.241 10.733 2.525 64 2HZ LYS 8 2HZ LYS 8 -6.624 11.225 1.020 65 3HZ LYS 8 3HZ LYS 8 -5.607 10.473 2.154 66 H SER 9 H SER 9 -9.154 5.529 -1.412 67 HA SER 9 HA SER 9 -10.367 4.366 0.807 68 1HB SER 9 1HB SER 9 -11.425 4.509 -2.034 69 2HB SER 9 2HB SER 9 -12.401 4.135 -0.618 70 HG SER 9 HG SER 9 -12.150 6.448 -1.470 71 H LEU 10 H LEU 10 -8.899 2.966 -1.994 72 HA LEU 10 HA LEU 10 -10.048 0.393 -1.927 73 1HB LEU 10 1HB LEU 10 -8.300 1.551 -3.591 74 2HB LEU 10 2HB LEU 10 -7.145 0.679 -2.586 75 HG LEU 10 HG LEU 10 -9.473 -0.500 -4.132 76 1HD1 LEU 10 1HD1 LEU 10 -7.540 -1.847 -5.122 77 2HD1 LEU 10 2HD1 LEU 10 -6.460 -0.695 -4.337 78 3HD1 LEU 10 3HD1 LEU 10 -7.596 -0.143 -5.569 79 1HD2 LEU 10 1HD2 LEU 10 -8.417 -2.691 -3.242 80 2HD2 LEU 10 2HD2 LEU 10 -9.423 -1.769 -2.131 81 3HD2 LEU 10 3HD2 LEU 10 -7.666 -1.674 -2.014 82 H LEU 11 H LEU 11 -7.246 1.799 -0.252 83 HA LEU 11 HA LEU 11 -6.387 -0.525 1.077 84 1HB LEU 11 1HB LEU 11 -6.166 2.419 1.672 85 2HB LEU 11 2HB LEU 11 -5.644 1.249 2.880 86 HG LEU 11 HG LEU 11 -4.691 0.906 0.056 87 1HD1 LEU 11 1HD1 LEU 11 -2.707 2.373 0.717 88 2HD1 LEU 11 2HD1 LEU 11 -3.710 2.977 2.036 89 3HD1 LEU 11 3HD1 LEU 11 -4.207 3.231 0.363 90 1HD2 LEU 11 1HD2 LEU 11 -2.921 -0.254 1.086 91 2HD2 LEU 11 2HD2 LEU 11 -4.283 -0.637 2.137 92 3HD2 LEU 11 3HD2 LEU 11 -3.122 0.601 2.615 93 H LYS 12 H LYS 12 -8.746 1.963 2.073 94 HA LYS 12 HA LYS 12 -9.451 1.216 4.580 95 1HB LYS 12 1HB LYS 12 -10.661 2.877 3.071 96 2HB LYS 12 2HB LYS 12 -11.559 1.498 2.436 97 1HG LYS 12 1HG LYS 12 -12.265 0.935 4.766 98 2HG LYS 12 2HG LYS 12 -11.455 2.395 5.330 99 1HD LYS 12 1HD LYS 12 -13.718 3.049 5.056 100 2HD LYS 12 2HD LYS 12 -12.904 3.659 3.617 101 1HE LYS 12 1HE LYS 12 -13.782 1.941 2.248 102 2HE LYS 12 2HE LYS 12 -14.211 0.936 3.633 103 1HZ LYS 12 1HZ LYS 12 -15.422 3.593 3.408 104 2HZ LYS 12 2HZ LYS 12 -16.055 2.167 4.080 105 3HZ LYS 12 3HZ LYS 12 -15.998 2.362 2.393 106 H LYS 13 H LYS 13 -10.936 -0.341 1.730 107 HA LYS 13 HA LYS 13 -12.243 -2.450 2.939 108 1HB LYS 13 1HB LYS 13 -11.001 -1.990 0.280 109 2HB LYS 13 2HB LYS 13 -11.337 -3.669 0.698 110 1HG LYS 13 1HG LYS 13 -13.275 -2.727 -0.440 111 2HG LYS 13 2HG LYS 13 -13.687 -3.022 1.249 112 1HD LYS 13 1HD LYS 13 -13.096 -0.602 1.714 113 2HD LYS 13 2HD LYS 13 -12.971 -0.370 -0.030 114 1HE LYS 13 1HE LYS 13 -15.439 -1.479 1.331 115 2HE LYS 13 2HE LYS 13 -15.225 0.229 0.949 116 1HZ LYS 13 1HZ LYS 13 -16.434 -0.879 -0.803 117 2HZ LYS 13 2HZ LYS 13 -15.188 -2.018 -0.993 118 3HZ LYS 13 3HZ LYS 13 -14.918 -0.387 -1.380 119 H HIS 14 H HIS 14 -8.830 -2.194 2.080 120 HA HIS 14 HA HIS 14 -8.083 -4.851 2.809 121 1HB HIS 14 1HB HIS 14 -6.833 -3.146 1.339 122 2HB HIS 14 2HB HIS 14 -6.240 -2.477 2.856 123 HD1 HIS 14 HD1 HIS 14 -3.897 -3.336 3.067 124 HD2 HIS 14 HD2 HIS 14 -6.543 -6.338 1.895 125 HE1 HIS 14 HE1 HIS 14 -2.570 -5.493 3.046 126 HE2 HIS 14 HE2 HIS 14 -4.169 -7.333 2.334 127 H TYR 15 H TYR 15 -7.481 -1.733 4.437 128 HA TYR 15 HA TYR 15 -6.855 -3.119 6.927 129 1HB TYR 15 1HB TYR 15 -6.506 -0.332 5.865 130 2HB TYR 15 2HB TYR 15 -6.453 -0.608 7.603 131 HD1 TYR 15 HD1 TYR 15 -5.284 -2.940 4.920 132 HD2 TYR 15 HD2 TYR 15 -4.155 -0.256 8.078 133 HE1 TYR 15 HE1 TYR 15 -2.941 -3.716 4.742 134 HE2 TYR 15 HE2 TYR 15 -1.809 -1.036 7.895 135 HH TYR 15 HH TYR 15 -0.477 -2.667 7.037 136 H GLU 16 H GLU 16 -9.628 -3.100 5.923 137 HA GLU 16 HA GLU 16 -11.125 -1.179 7.430 138 1HB GLU 16 1HB GLU 16 -13.076 -2.564 6.825 139 2HB GLU 16 2HB GLU 16 -12.065 -2.219 5.423 140 1HG GLU 16 1HG GLU 16 -10.902 -4.458 5.917 141 2HG GLU 16 2HG GLU 16 -12.259 -4.790 6.992 142 H LYS 17 H LYS 17 -9.126 -3.030 8.807 143 HA LYS 17 HA LYS 17 -10.828 -3.606 11.107 144 1HB LYS 17 1HB LYS 17 -9.360 -5.710 9.532 145 2HB LYS 17 2HB LYS 17 -9.641 -5.915 11.260 146 1HG LYS 17 1HG LYS 17 -12.085 -5.515 10.853 147 2HG LYS 17 2HG LYS 17 -11.750 -5.495 9.123 148 1HD LYS 17 1HD LYS 17 -11.096 -7.810 10.970 149 2HD LYS 17 2HD LYS 17 -12.520 -7.731 9.932 150 1HE LYS 17 1HE LYS 17 -10.792 -7.293 8.017 151 2HE LYS 17 2HE LYS 17 -9.626 -7.982 9.148 152 1HZ LYS 17 1HZ LYS 17 -12.128 -9.429 8.801 153 2HZ LYS 17 2HZ LYS 17 -10.549 -10.018 9.011 154 3HZ LYS 17 3HZ LYS 17 -11.055 -9.456 7.489 155 H THR 18 H THR 18 -7.727 -3.126 9.626 156 HA THR 18 HA THR 18 -6.207 -3.413 12.063 157 HB THR 18 HB THR 18 -4.495 -2.099 10.490 158 HG1 THR 18 HG1 THR 18 -5.440 -1.671 8.676 159 1HG2 THR 18 1HG2 THR 18 -4.154 -4.386 11.205 160 2HG2 THR 18 2HG2 THR 18 -3.916 -4.311 9.460 161 3HG2 THR 18 3HG2 THR 18 -5.418 -4.959 10.118 162 H ILE 19 H ILE 19 -8.443 -1.613 12.285 163 HA ILE 19 HA ILE 19 -7.978 1.070 12.012 164 HB ILE 19 HB ILE 19 -10.059 0.291 12.938 165 1HG1 ILE 19 1HG1 ILE 19 -8.654 1.831 15.135 166 2HG1 ILE 19 2HG1 ILE 19 -9.138 2.566 13.606 167 1HG2 ILE 19 1HG2 ILE 19 -10.276 -1.093 14.744 168 2HG2 ILE 19 2HG2 ILE 19 -8.976 -0.307 15.636 169 3HG2 ILE 19 3HG2 ILE 19 -8.596 -1.495 14.389 170 1HD1 ILE 19 1HD1 ILE 19 -10.941 1.276 15.672 171 2HD1 ILE 19 2HD1 ILE 19 -11.488 1.745 14.062 172 3HD1 ILE 19 3HD1 ILE 19 -10.912 2.973 15.189 173 H GLY 20 H GLY 20 -7.371 -0.455 15.179 174 1HA GLY 20 1HA GLY 20 -5.924 1.260 16.532 175 2HA GLY 20 2HA GLY 20 -5.375 -0.407 16.436 176 H PHE 21 H PHE 21 -4.417 -0.618 13.888 177 HA PHE 21 HA PHE 21 -1.848 0.475 14.025 178 1HB PHE 21 1HB PHE 21 -2.599 -1.431 12.539 179 2HB PHE 21 2HB PHE 21 -3.293 -0.225 11.458 180 HD1 PHE 21 HD1 PHE 21 -1.963 0.434 9.661 181 HD2 PHE 21 HD2 PHE 21 -0.071 -0.775 13.325 182 HE1 PHE 21 HE1 PHE 21 0.266 0.776 8.625 183 HE2 PHE 21 HE2 PHE 21 2.155 -0.423 12.291 184 HZ PHE 21 HZ PHE 21 2.322 0.352 9.942 185 H HIS 22 H HIS 22 -4.616 1.534 12.067 186 HA HIS 22 HA HIS 22 -3.479 3.849 10.956 187 1HB HIS 22 1HB HIS 22 -5.691 2.784 10.332 188 2HB HIS 22 2HB HIS 22 -6.367 3.506 11.790 189 HD1 HIS 22 HD1 HIS 22 -6.720 6.059 11.817 190 HD2 HIS 22 HD2 HIS 22 -5.030 4.662 8.271 191 HE1 HIS 22 HE1 HIS 22 -6.834 7.975 10.165 192 HE2 HIS 22 HE2 HIS 22 -5.807 7.140 7.998 193 H ASP 23 H ASP 23 -5.610 3.667 13.827 194 HA ASP 23 HA ASP 23 -5.305 6.332 14.596 195 1HB ASP 23 1HB ASP 23 -6.800 4.329 15.531 196 2HB ASP 23 2HB ASP 23 -5.503 4.234 16.717 197 H LYS 24 H LYS 24 -2.944 3.965 14.430 198 HA LYS 24 HA LYS 24 -1.355 4.925 16.677 199 1HB LYS 24 1HB LYS 24 -1.553 2.479 15.649 200 2HB LYS 24 2HB LYS 24 -0.234 3.058 14.639 201 1HG LYS 24 1HG LYS 24 1.225 3.286 16.433 202 2HG LYS 24 2HG LYS 24 -0.071 3.538 17.598 203 1HD LYS 24 1HD LYS 24 -0.703 1.196 17.481 204 2HD LYS 24 2HD LYS 24 0.487 0.907 16.212 205 1HE LYS 24 1HE LYS 24 1.294 0.202 18.472 206 2HE LYS 24 2HE LYS 24 2.310 1.443 17.739 207 1HZ LYS 24 1HZ LYS 24 1.712 1.840 20.111 208 2HZ LYS 24 2HZ LYS 24 0.099 2.045 19.619 209 3HZ LYS 24 3HZ LYS 24 1.300 3.108 19.062 210 H TYR 25 H TYR 25 -0.257 4.310 13.343 211 HA TYR 25 HA TYR 25 1.216 6.874 13.495 212 1HB TYR 25 1HB TYR 25 1.869 4.532 11.706 213 2HB TYR 25 2HB TYR 25 2.888 5.920 12.090 214 HD1 TYR 25 HD1 TYR 25 2.079 2.565 12.965 215 HD2 TYR 25 HD2 TYR 25 3.439 6.285 14.625 216 HE1 TYR 25 HE1 TYR 25 3.006 1.353 14.918 217 HE2 TYR 25 HE2 TYR 25 4.369 5.074 16.578 218 HH TYR 25 HH TYR 25 5.077 2.029 16.684 219 H ILE 26 H ILE 26 0.199 4.746 10.820 220 HA ILE 26 HA ILE 26 0.070 6.460 8.764 221 HB ILE 26 HB ILE 26 -2.310 4.683 9.241 222 1HG1 ILE 26 1HG1 ILE 26 -0.444 3.322 9.949 223 2HG1 ILE 26 2HG1 ILE 26 -0.855 2.831 8.307 224 1HG2 ILE 26 1HG2 ILE 26 -0.629 5.313 6.799 225 2HG2 ILE 26 2HG2 ILE 26 -2.190 6.043 7.175 226 3HG2 ILE 26 3HG2 ILE 26 -2.084 4.318 6.824 227 1HD1 ILE 26 1HD1 ILE 26 1.463 4.526 9.231 228 2HD1 ILE 26 2HD1 ILE 26 0.924 4.546 7.552 229 3HD1 ILE 26 3HD1 ILE 26 1.501 3.045 8.275 230 H LYS 27 H LYS 27 -1.986 6.554 11.549 231 HA LYS 27 HA LYS 27 -4.143 7.691 11.653 232 1HB LYS 27 1HB LYS 27 -2.326 8.549 13.142 233 2HB LYS 27 2HB LYS 27 -1.945 9.754 11.911 234 1HG LYS 27 1HG LYS 27 -4.336 10.537 12.037 235 2HG LYS 27 2HG LYS 27 -4.574 9.435 13.392 236 1HD LYS 27 1HD LYS 27 -2.286 11.382 13.488 237 2HD LYS 27 2HD LYS 27 -3.915 11.960 13.830 238 1HE LYS 27 1HE LYS 27 -4.170 10.492 15.678 239 2HE LYS 27 2HE LYS 27 -2.784 9.514 15.194 240 1HZ LYS 27 1HZ LYS 27 -1.354 11.436 15.617 241 2HZ LYS 27 2HZ LYS 27 -2.194 10.957 17.014 242 3HZ LYS 27 3HZ LYS 27 -2.698 12.326 16.143 243 H ASP 28 H ASP 28 -2.612 10.584 10.616 244 HA ASP 28 HA ASP 28 -3.977 10.525 8.009 245 1HB ASP 28 1HB ASP 28 -4.980 12.728 8.429 246 2HB ASP 28 2HB ASP 28 -5.568 11.535 9.585 247 H ILE 29 H ILE 29 -1.760 10.358 7.258 248 HA ILE 29 HA ILE 29 0.087 12.511 7.767 249 HB ILE 29 HB ILE 29 0.452 10.765 5.381 250 1HG1 ILE 29 1HG1 ILE 29 0.327 9.749 8.233 251 2HG1 ILE 29 2HG1 ILE 29 -0.535 9.126 6.827 252 1HG2 ILE 29 1HG2 ILE 29 2.114 12.440 6.469 253 2HG2 ILE 29 2HG2 ILE 29 2.717 10.842 6.036 254 3HG2 ILE 29 3HG2 ILE 29 2.316 11.207 7.713 255 1HD1 ILE 29 1HD1 ILE 29 1.898 8.772 5.863 256 2HD1 ILE 29 2HD1 ILE 29 1.215 7.597 6.988 257 3HD1 ILE 29 3HD1 ILE 29 2.357 8.811 7.567 258 H ASN 30 H ASN 30 1.094 12.982 5.170 259 HA ASN 30 HA ASN 30 -0.944 13.836 3.375 260 1HB ASN 30 1HB ASN 30 -1.266 15.477 5.241 261 2HB ASN 30 2HB ASN 30 0.376 16.051 4.952 262 1HD2 ASN 30 1HD2 ASN 30 -0.593 18.179 4.336 263 2HD2 ASN 30 2HD2 ASN 30 -1.278 18.370 2.796 264 H ARG 31 H ARG 31 1.847 12.612 3.603 265 HA ARG 31 HA ARG 31 3.040 14.231 1.439 266 1HB ARG 31 1HB ARG 31 4.544 12.894 3.700 267 2HB ARG 31 2HB ARG 31 5.288 13.701 2.327 268 1HG ARG 31 1HG ARG 31 3.300 15.186 4.026 269 2HG ARG 31 2HG ARG 31 4.961 15.004 4.587 270 1HD ARG 31 1HD ARG 31 5.838 16.157 2.703 271 2HD ARG 31 2HD ARG 31 4.321 16.037 1.821 272 HE ARG 31 HE ARG 31 3.665 17.470 4.060 273 1HH1 ARG 31 1HH1 ARG 31 6.062 17.712 1.577 274 2HH1 ARG 31 2HH1 ARG 31 6.152 19.441 1.639 275 1HH2 ARG 31 1HH2 ARG 31 3.777 19.736 4.150 276 2HH2 ARG 31 2HH2 ARG 31 4.859 20.587 3.099 277 H PHE 32 H PHE 32 2.407 12.967 -0.195 278 HA PHE 32 HA PHE 32 3.824 10.459 -0.583 279 1HB PHE 32 1HB PHE 32 1.681 9.286 -1.246 280 2HB PHE 32 2HB PHE 32 1.862 9.565 0.487 281 HD1 PHE 32 HD1 PHE 32 0.343 10.964 1.684 282 HD2 PHE 32 HD2 PHE 32 0.246 10.845 -2.609 283 HE1 PHE 32 HE1 PHE 32 -1.779 12.246 1.696 284 HE2 PHE 32 HE2 PHE 32 -1.876 12.127 -2.596 285 HZ PHE 32 HZ PHE 32 -2.889 12.827 -0.444 286 H VAL 33 H VAL 33 4.193 10.105 -2.789 287 HA VAL 33 HA VAL 33 2.654 11.705 -4.706 288 HB VAL 33 HB VAL 33 4.707 12.637 -5.721 289 1HG1 VAL 33 1HG1 VAL 33 4.551 13.342 -2.782 290 2HG1 VAL 33 2HG1 VAL 33 3.312 13.824 -3.942 291 3HG1 VAL 33 3HG1 VAL 33 4.968 14.402 -4.128 292 1HG2 VAL 33 1HG2 VAL 33 6.364 11.046 -4.988 293 2HG2 VAL 33 2HG2 VAL 33 5.979 11.344 -3.292 294 3HG2 VAL 33 3HG2 VAL 33 6.773 12.595 -4.251 295 H PHE 34 H PHE 34 2.871 11.122 -6.853 296 HA PHE 34 HA PHE 34 4.206 8.544 -7.412 297 1HB PHE 34 1HB PHE 34 1.888 7.991 -7.236 298 2HB PHE 34 2HB PHE 34 1.402 9.444 -8.095 299 HD1 PHE 34 HD1 PHE 34 0.221 8.525 -9.934 300 HD2 PHE 34 HD2 PHE 34 4.185 7.134 -9.034 301 HE1 PHE 34 HE1 PHE 34 0.281 7.297 -12.086 302 HE2 PHE 34 HE2 PHE 34 4.243 5.909 -11.185 303 HZ PHE 34 HZ PHE 34 2.292 5.989 -12.712 304 H LYS 35 H LYS 35 5.452 8.586 -9.225 305 HA LYS 35 HA LYS 35 4.935 9.904 -11.608 306 1HB LYS 35 1HB LYS 35 5.711 11.764 -9.582 307 2HB LYS 35 2HB LYS 35 7.033 11.657 -10.736 308 1HG LYS 35 1HG LYS 35 5.418 12.025 -12.592 309 2HG LYS 35 2HG LYS 35 4.127 12.205 -11.406 310 1HD LYS 35 1HD LYS 35 4.717 14.431 -11.726 311 2HD LYS 35 2HD LYS 35 5.760 14.015 -10.367 312 1HE LYS 35 1HE LYS 35 7.050 15.188 -12.095 313 2HE LYS 35 2HE LYS 35 7.604 13.521 -11.954 314 1HZ LYS 35 1HZ LYS 35 7.072 14.553 -14.272 315 2HZ LYS 35 2HZ LYS 35 5.472 14.144 -13.870 316 3HZ LYS 35 3HZ LYS 35 6.668 12.940 -13.938 317 H ASN 36 H ASN 36 6.022 7.480 -10.926 318 HA ASN 36 HA ASN 36 8.259 7.301 -12.604 319 1HB ASN 36 1HB ASN 36 9.936 6.640 -10.758 320 2HB ASN 36 2HB ASN 36 9.644 8.358 -11.017 321 1HD2 ASN 36 1HD2 ASN 36 7.106 6.493 -9.488 322 2HD2 ASN 36 2HD2 ASN 36 7.346 7.096 -7.920 323 H ASN 37 H ASN 37 5.846 5.933 -12.219 324 HA ASN 37 HA ASN 37 4.985 3.811 -12.116 325 1HB ASN 37 1HB ASN 37 7.900 3.335 -12.622 326 2HB ASN 37 2HB ASN 37 6.855 1.962 -12.271 327 1HD2 ASN 37 1HD2 ASN 37 8.177 3.260 -14.872 328 2HD2 ASN 37 2HD2 ASN 37 6.903 3.165 -15.989 329 H VAL 38 H VAL 38 6.951 5.077 -9.756 330 HA VAL 38 HA VAL 38 6.276 2.903 -7.860 331 HB VAL 38 HB VAL 38 8.632 4.806 -7.811 332 1HG1 VAL 38 1HG1 VAL 38 7.596 2.752 -5.851 333 2HG1 VAL 38 2HG1 VAL 38 7.998 4.442 -5.547 334 3HG1 VAL 38 3HG1 VAL 38 9.281 3.271 -5.853 335 1HG2 VAL 38 1HG2 VAL 38 8.864 2.969 -9.437 336 2HG2 VAL 38 2HG2 VAL 38 8.432 1.799 -8.190 337 3HG2 VAL 38 3HG2 VAL 38 9.938 2.708 -8.062 338 H LEU 39 H LEU 39 5.892 3.630 -5.641 339 HA LEU 39 HA LEU 39 4.873 6.405 -5.471 340 1HB LEU 39 1HB LEU 39 3.477 3.820 -4.844 341 2HB LEU 39 2HB LEU 39 3.102 5.251 -3.889 342 HG LEU 39 HG LEU 39 2.753 6.466 -6.112 343 1HD1 LEU 39 1HD1 LEU 39 3.503 5.238 -7.885 344 2HD1 LEU 39 2HD1 LEU 39 1.903 4.510 -7.800 345 3HD1 LEU 39 3HD1 LEU 39 3.280 3.701 -7.054 346 1HD2 LEU 39 1HD2 LEU 39 0.460 5.443 -6.394 347 2HD2 LEU 39 2HD2 LEU 39 0.863 5.886 -4.735 348 3HD2 LEU 39 3HD2 LEU 39 0.946 4.199 -5.243 349 H LEU 40 H LEU 40 5.517 7.491 -3.681 350 HA LEU 40 HA LEU 40 6.722 5.881 -1.509 351 1HB LEU 40 1HB LEU 40 8.052 7.682 -3.118 352 2HB LEU 40 2HB LEU 40 7.604 8.702 -1.756 353 HG LEU 40 HG LEU 40 8.869 6.005 -1.272 354 1HD1 LEU 40 1HD1 LEU 40 10.348 8.599 -1.797 355 2HD1 LEU 40 2HD1 LEU 40 10.318 7.209 -2.883 356 3HD1 LEU 40 3HD1 LEU 40 11.077 7.074 -1.297 357 1HD2 LEU 40 1HD2 LEU 40 9.592 8.334 0.383 358 2HD2 LEU 40 2HD2 LEU 40 9.026 6.738 0.873 359 3HD2 LEU 40 3HD2 LEU 40 7.865 7.977 0.405 360 H ILE 41 H ILE 41 6.267 6.409 0.586 361 HA ILE 41 HA ILE 41 4.396 8.632 1.080 362 HB ILE 41 HB ILE 41 3.915 5.743 1.848 363 1HG1 ILE 41 1HG1 ILE 41 1.658 6.572 0.612 364 2HG1 ILE 41 2HG1 ILE 41 2.818 7.614 -0.208 365 1HG2 ILE 41 1HG2 ILE 41 2.577 8.320 2.686 366 2HG2 ILE 41 2HG2 ILE 41 3.227 7.045 3.715 367 3HG2 ILE 41 3HG2 ILE 41 1.756 6.762 2.784 368 1HD1 ILE 41 1HD1 ILE 41 2.607 4.627 -0.234 369 2HD1 ILE 41 2HD1 ILE 41 4.193 5.367 -0.449 370 3HD1 ILE 41 3HD1 ILE 41 2.886 5.741 -1.573 371 H LEU 42 H LEU 42 4.629 9.607 2.991 372 HA LEU 42 HA LEU 42 6.967 9.382 4.481 373 1HB LEU 42 1HB LEU 42 4.527 10.923 4.556 374 2HB LEU 42 2HB LEU 42 5.011 10.491 6.189 375 HG LEU 42 HG LEU 42 6.017 12.634 5.485 376 1HD1 LEU 42 1HD1 LEU 42 7.950 12.188 6.599 377 2HD1 LEU 42 2HD1 LEU 42 8.407 10.885 5.502 378 3HD1 LEU 42 3HD1 LEU 42 7.253 10.581 6.800 379 1HD2 LEU 42 1HD2 LEU 42 6.232 11.505 3.006 380 2HD2 LEU 42 2HD2 LEU 42 7.887 11.326 3.587 381 3HD2 LEU 42 3HD2 LEU 42 7.145 12.923 3.520 382 H LEU 43 H LEU 43 7.592 8.300 6.235 383 HA LEU 43 HA LEU 43 5.898 7.170 8.186 384 1HB LEU 43 1HB LEU 43 5.513 5.568 6.232 385 2HB LEU 43 2HB LEU 43 7.191 5.072 6.452 386 HG LEU 43 HG LEU 43 6.501 4.803 8.976 387 1HD1 LEU 43 1HD1 LEU 43 3.839 4.693 7.528 388 2HD1 LEU 43 2HD1 LEU 43 4.283 5.759 8.860 389 3HD1 LEU 43 3HD1 LEU 43 4.102 4.028 9.139 390 1HD2 LEU 43 1HD2 LEU 43 5.399 2.807 6.984 391 2HD2 LEU 43 2HD2 LEU 43 6.017 2.483 8.603 392 3HD2 LEU 43 3HD2 LEU 43 7.120 2.979 7.322 393 H GLU 44 H GLU 44 7.335 8.109 9.602 394 HA GLU 44 HA GLU 44 10.171 7.511 9.455 395 1HB GLU 44 1HB GLU 44 10.106 8.804 11.709 396 2HB GLU 44 2HB GLU 44 9.764 9.686 10.220 397 1HG GLU 44 1HG GLU 44 7.424 9.664 10.610 398 2HG GLU 44 2HG GLU 44 7.561 8.415 11.847 399 H ASN 45 H ASN 45 7.418 6.642 11.517 400 HA ASN 45 HA ASN 45 8.558 5.371 13.623 401 1HB ASN 45 1HB ASN 45 6.206 4.504 11.946 402 2HB ASN 45 2HB ASN 45 6.658 3.687 13.442 403 1HD2 ASN 45 1HD2 ASN 45 6.698 5.086 15.452 404 2HD2 ASN 45 2HD2 ASN 45 5.662 6.428 15.527 405 H GLU 46 H GLU 46 10.187 4.001 13.773 406 HA GLU 46 HA GLU 46 11.288 2.534 11.646 407 1HB GLU 46 1HB GLU 46 12.598 3.112 13.612 408 2HB GLU 46 2HB GLU 46 11.552 2.126 14.634 409 1HG GLU 46 1HG GLU 46 13.485 0.793 14.173 410 2HG GLU 46 2HG GLU 46 12.195 0.139 13.171 411 H PHE 47 H PHE 47 9.226 1.450 14.351 412 HA PHE 47 HA PHE 47 9.156 -1.259 13.600 413 1HB PHE 47 1HB PHE 47 6.956 0.240 15.035 414 2HB PHE 47 2HB PHE 47 7.329 -1.481 15.140 415 HD1 PHE 47 HD1 PHE 47 8.022 1.797 16.462 416 HD2 PHE 47 HD2 PHE 47 9.623 -2.169 16.058 417 HE1 PHE 47 HE1 PHE 47 9.618 2.252 18.306 418 HE2 PHE 47 HE2 PHE 47 11.218 -1.714 17.902 419 HZ PHE 47 HZ PHE 47 11.215 0.496 19.025 420 H ALA 48 H ALA 48 6.462 1.065 13.322 421 HA ALA 48 HA ALA 48 4.721 -0.261 11.754 422 1HB ALA 48 1HB ALA 48 3.855 1.792 11.031 423 2HB ALA 48 2HB ALA 48 5.447 2.545 10.950 424 3HB ALA 48 3HB ALA 48 4.702 2.226 12.515 425 H ARG 49 H ARG 49 7.707 1.247 10.647 426 HA ARG 49 HA ARG 49 7.257 0.658 7.873 427 1HB ARG 49 1HB ARG 49 8.723 2.516 8.897 428 2HB ARG 49 2HB ARG 49 9.931 1.255 9.124 429 1HG ARG 49 1HG ARG 49 10.254 0.953 6.841 430 2HG ARG 49 2HG ARG 49 8.645 1.536 6.423 431 1HD ARG 49 1HD ARG 49 9.310 3.719 6.368 432 2HD ARG 49 2HD ARG 49 10.396 3.534 7.740 433 HE ARG 49 HE ARG 49 11.050 3.050 4.924 434 1HH1 ARG 49 1HH1 ARG 49 11.925 2.878 8.272 435 2HH1 ARG 49 2HH1 ARG 49 13.623 2.736 7.960 436 1HH2 ARG 49 1HH2 ARG 49 13.273 2.864 4.514 437 2HH2 ARG 49 2HH2 ARG 49 14.385 2.727 5.835 438 H ASN 50 H ASN 50 8.954 -0.879 10.547 439 HA ASN 50 HA ASN 50 10.500 -2.706 9.161 440 1HB ASN 50 1HB ASN 50 10.488 -2.286 11.647 441 2HB ASN 50 2HB ASN 50 9.053 -3.306 11.744 442 1HD2 ASN 50 1HD2 ASN 50 10.679 -4.628 13.156 443 2HD2 ASN 50 2HD2 ASN 50 11.637 -5.765 12.338 444 H SER 51 H SER 51 7.375 -3.325 10.709 445 HA SER 51 HA SER 51 6.774 -5.821 9.601 446 1HB SER 51 1HB SER 51 5.631 -4.200 11.451 447 2HB SER 51 2HB SER 51 4.488 -4.038 10.122 448 HG SER 51 HG SER 51 3.840 -5.837 11.156 449 H LEU 52 H LEU 52 5.669 -2.594 8.555 450 HA LEU 52 HA LEU 52 4.028 -3.328 6.470 451 1HB LEU 52 1HB LEU 52 5.785 -0.932 6.910 452 2HB LEU 52 2HB LEU 52 4.864 -1.095 5.416 453 HG LEU 52 HG LEU 52 3.640 -1.282 8.187 454 1HD1 LEU 52 1HD1 LEU 52 2.679 1.002 7.501 455 2HD1 LEU 52 2HD1 LEU 52 3.946 1.037 6.275 456 3HD1 LEU 52 3HD1 LEU 52 4.374 0.970 7.982 457 1HD2 LEU 52 1HD2 LEU 52 2.042 -2.282 6.865 458 2HD2 LEU 52 2HD2 LEU 52 2.619 -1.507 5.390 459 3HD2 LEU 52 3HD2 LEU 52 1.616 -0.607 6.526 460 H ASN 53 H ASN 53 7.537 -2.661 6.270 461 HA ASN 53 HA ASN 53 7.641 -3.473 3.512 462 1HB ASN 53 1HB ASN 53 9.869 -2.807 3.546 463 2HB ASN 53 2HB ASN 53 9.172 -1.791 4.803 464 1HD2 ASN 53 1HD2 ASN 53 9.714 -2.285 7.044 465 2HD2 ASN 53 2HD2 ASN 53 10.973 -3.354 7.433 466 H ASP 54 H ASP 54 7.721 -5.175 6.480 467 HA ASP 54 HA ASP 54 9.404 -7.334 5.622 468 1HB ASP 54 1HB ASP 54 7.421 -7.032 7.871 469 2HB ASP 54 2HB ASP 54 8.288 -8.535 7.577 470 H ASN 55 H ASN 55 6.072 -6.479 5.271 471 HA ASN 55 HA ASN 55 5.527 -8.327 3.235 472 1HB ASN 55 1HB ASN 55 3.879 -9.774 4.546 473 2HB ASN 55 2HB ASN 55 5.589 -10.120 4.790 474 1HD2 ASN 55 1HD2 ASN 55 2.664 -9.072 6.365 475 2HD2 ASN 55 2HD2 ASN 55 3.339 -8.839 7.904 476 H SER 56 H SER 56 4.559 -6.489 2.353 477 HA SER 56 HA SER 56 1.942 -5.776 3.538 478 1HB SER 56 1HB SER 56 3.172 -3.846 3.999 479 2HB SER 56 2HB SER 56 4.132 -3.985 2.529 480 HG SER 56 HG SER 56 1.929 -3.717 1.491 481 H GLU 57 H GLU 57 3.714 -4.910 0.571 482 HA GLU 57 HA GLU 57 3.233 -5.262 -1.651 483 1HB GLU 57 1HB GLU 57 1.013 -7.117 -0.786 484 2HB GLU 57 2HB GLU 57 1.865 -7.088 -2.327 485 1HG GLU 57 1HG GLU 57 3.648 -8.260 -1.519 486 2HG GLU 57 2HG GLU 57 3.620 -7.433 0.035 487 H ILE 58 H ILE 58 2.264 -2.980 -0.554 488 HA ILE 58 HA ILE 58 -0.499 -2.551 -0.698 489 HB ILE 58 HB ILE 58 1.682 -0.576 -1.404 490 1HG1 ILE 58 1HG1 ILE 58 2.178 -1.567 0.755 491 2HG1 ILE 58 2HG1 ILE 58 1.535 0.054 1.013 492 1HG2 ILE 58 1HG2 ILE 58 -0.347 0.452 -1.966 493 2HG2 ILE 58 2HG2 ILE 58 -0.103 0.975 -0.301 494 3HG2 ILE 58 3HG2 ILE 58 -1.222 -0.341 -0.656 495 1HD1 ILE 58 1HD1 ILE 58 0.350 -1.243 2.578 496 2HD1 ILE 58 2HD1 ILE 58 0.180 -2.599 1.466 497 3HD1 ILE 58 3HD1 ILE 58 -0.771 -1.136 1.223 498 H ILE 59 H ILE 59 1.385 -3.682 -3.111 499 HA ILE 59 HA ILE 59 0.178 -2.191 -5.310 500 HB ILE 59 HB ILE 59 2.427 -2.822 -5.721 501 1HG1 ILE 59 1HG1 ILE 59 0.890 -5.062 -7.051 502 2HG1 ILE 59 2HG1 ILE 59 0.689 -3.379 -7.538 503 1HG2 ILE 59 1HG2 ILE 59 1.578 -5.512 -4.634 504 2HG2 ILE 59 2HG2 ILE 59 2.828 -4.433 -4.015 505 3HG2 ILE 59 3HG2 ILE 59 3.080 -5.295 -5.532 506 1HD1 ILE 59 1HD1 ILE 59 2.394 -4.550 -8.918 507 2HD1 ILE 59 2HD1 ILE 59 3.336 -4.855 -7.458 508 3HD1 ILE 59 3HD1 ILE 59 3.084 -3.201 -8.015 509 H HIS 60 H HIS 60 -0.193 -5.129 -3.531 510 HA HIS 60 HA HIS 60 -1.749 -6.769 -5.182 511 1HB HIS 60 1HB HIS 60 -1.626 -6.299 -2.218 512 2HB HIS 60 2HB HIS 60 -2.825 -7.394 -2.903 513 HD1 HIS 60 HD1 HIS 60 0.159 -7.399 -4.954 514 HD2 HIS 60 HD2 HIS 60 -1.046 -9.373 -1.487 515 HE1 HIS 60 HE1 HIS 60 1.696 -9.394 -4.696 516 HE2 HIS 60 HE2 HIS 60 0.974 -10.609 -2.586 517 H LEU 61 H LEU 61 -2.578 -3.660 -3.904 518 HA LEU 61 HA LEU 61 -5.371 -4.133 -4.780 519 1HB LEU 61 1HB LEU 61 -5.050 -1.954 -2.850 520 2HB LEU 61 2HB LEU 61 -6.196 -3.294 -2.854 521 HG LEU 61 HG LEU 61 -4.260 -4.776 -2.093 522 1HD1 LEU 61 1HD1 LEU 61 -2.204 -3.893 -1.776 523 2HD1 LEU 61 2HD1 LEU 61 -2.851 -2.532 -0.863 524 3HD1 LEU 61 3HD1 LEU 61 -2.780 -2.458 -2.622 525 1HD2 LEU 61 1HD2 LEU 61 -5.884 -4.260 -0.459 526 2HD2 LEU 61 2HD2 LEU 61 -5.446 -2.552 -0.434 527 3HD2 LEU 61 3HD2 LEU 61 -4.371 -3.748 0.288 528 H ALA 62 H ALA 62 -2.764 -1.769 -4.379 529 HA ALA 62 HA ALA 62 -4.016 0.343 -5.794 530 1HB ALA 62 1HB ALA 62 -1.816 1.355 -5.861 531 2HB ALA 62 2HB ALA 62 -1.053 -0.193 -5.500 532 3HB ALA 62 3HB ALA 62 -2.047 0.605 -4.281 533 H GLU 63 H GLU 63 -3.258 -2.621 -6.967 534 HA GLU 63 HA GLU 63 -2.194 -1.713 -9.530 535 1HB GLU 63 1HB GLU 63 -2.088 -4.087 -10.106 536 2HB GLU 63 2HB GLU 63 -1.340 -3.808 -8.535 537 1HG GLU 63 1HG GLU 63 -2.743 -5.317 -7.618 538 2HG GLU 63 2HG GLU 63 -4.105 -4.285 -8.044 539 H SER 64 H SER 64 -5.002 -1.167 -8.418 540 HA SER 64 HA SER 64 -6.544 -2.233 -10.715 541 1HB SER 64 1HB SER 64 -7.500 -3.047 -8.677 542 2HB SER 64 2HB SER 64 -7.417 -1.455 -7.930 543 HG SER 64 HG SER 64 -8.742 -1.068 -10.111 544 H LEU 65 H LEU 65 -5.673 0.607 -8.851 545 HA LEU 65 HA LEU 65 -7.459 2.368 -10.280 546 1HB LEU 65 1HB LEU 65 -6.856 2.897 -7.990 547 2HB LEU 65 2HB LEU 65 -5.145 2.922 -8.410 548 HG LEU 65 HG LEU 65 -5.484 4.846 -9.872 549 1HD1 LEU 65 1HD1 LEU 65 -7.612 4.599 -10.829 550 2HD1 LEU 65 2HD1 LEU 65 -7.868 5.922 -9.693 551 3HD1 LEU 65 3HD1 LEU 65 -8.383 4.289 -9.274 552 1HD2 LEU 65 1HD2 LEU 65 -6.588 6.412 -8.049 553 2HD2 LEU 65 2HD2 LEU 65 -5.037 5.644 -7.729 554 3HD2 LEU 65 3HD2 LEU 65 -6.513 4.961 -7.052 555 H TYR 66 H TYR 66 -4.200 1.213 -10.641 556 HA TYR 66 HA TYR 66 -3.815 3.047 -12.938 557 1HB TYR 66 1HB TYR 66 -1.639 1.727 -11.306 558 2HB TYR 66 2HB TYR 66 -1.446 2.971 -12.540 559 HD1 TYR 66 HD1 TYR 66 -1.542 5.256 -11.968 560 HD2 TYR 66 HD2 TYR 66 -3.035 2.312 -9.216 561 HE1 TYR 66 HE1 TYR 66 -1.827 7.014 -10.242 562 HE2 TYR 66 HE2 TYR 66 -3.322 4.074 -7.490 563 HH TYR 66 HH TYR 66 -1.884 6.987 -7.586 564 H GLU 67 H GLU 67 -2.295 2.104 -14.604 565 HA GLU 67 HA GLU 67 -3.349 -0.151 -15.792 566 1HB GLU 67 1HB GLU 67 -0.520 0.911 -15.993 567 2HB GLU 67 2HB GLU 67 -1.238 -0.257 -17.102 568 1HG GLU 67 1HG GLU 67 -1.540 1.836 -18.172 569 2HG GLU 67 2HG GLU 67 -3.107 1.480 -17.447 570 H GLY 68 H GLY 68 -0.442 0.035 -13.742 571 1HA GLY 68 1HA GLY 68 -0.875 -2.408 -12.427 572 2HA GLY 68 2HA GLY 68 0.189 -2.712 -13.797 573 H ILE 69 H ILE 69 -0.149 -1.061 -10.728 574 HA ILE 69 HA ILE 69 2.145 0.449 -10.574 575 HB ILE 69 HB ILE 69 0.855 -1.269 -8.447 576 1HG1 ILE 69 1HG1 ILE 69 -0.321 0.762 -9.655 577 2HG1 ILE 69 2HG1 ILE 69 -0.422 0.605 -7.904 578 1HG2 ILE 69 1HG2 ILE 69 3.036 -0.880 -7.620 579 2HG2 ILE 69 2HG2 ILE 69 2.072 0.417 -6.912 580 3HG2 ILE 69 3HG2 ILE 69 3.101 0.744 -8.307 581 1HD1 ILE 69 1HD1 ILE 69 1.817 2.180 -9.168 582 2HD1 ILE 69 2HD1 ILE 69 1.170 2.297 -7.532 583 3HD1 ILE 69 3HD1 ILE 69 0.239 2.918 -8.895 584 H LYS 70 H LYS 70 4.256 0.085 -9.875 585 HA LYS 70 HA LYS 70 5.318 -2.568 -10.548 586 1HB LYS 70 1HB LYS 70 6.535 0.162 -10.203 587 2HB LYS 70 2HB LYS 70 7.533 -1.290 -10.255 588 1HG LYS 70 1HG LYS 70 6.102 -1.820 -12.426 589 2HG LYS 70 2HG LYS 70 5.841 -0.078 -12.421 590 1HD LYS 70 1HD LYS 70 8.369 0.166 -12.198 591 2HD LYS 70 2HD LYS 70 8.471 -1.558 -12.555 592 1HE LYS 70 1HE LYS 70 7.030 -1.028 -14.629 593 2HE LYS 70 2HE LYS 70 7.443 0.658 -14.327 594 1HZ LYS 70 1HZ LYS 70 9.049 -1.437 -15.422 595 2HZ LYS 70 2HZ LYS 70 9.819 -0.656 -14.124 596 3HZ LYS 70 3HZ LYS 70 9.288 0.241 -15.466 597 H SER 71 H SER 71 5.065 -0.317 -7.843 598 HA SER 71 HA SER 71 5.179 -2.293 -5.869 599 1HB SER 71 1HB SER 71 7.512 -1.622 -4.956 600 2HB SER 71 2HB SER 71 7.434 -2.771 -6.287 601 HG SER 71 HG SER 71 8.579 -0.351 -6.201 602 H VAL 72 H VAL 72 6.094 -1.165 -3.696 603 HA VAL 72 HA VAL 72 5.452 1.675 -3.554 604 HB VAL 72 HB VAL 72 3.885 -0.341 -1.923 605 1HG1 VAL 72 1HG1 VAL 72 2.551 1.686 -1.333 606 2HG1 VAL 72 2HG1 VAL 72 3.706 2.672 -2.228 607 3HG1 VAL 72 3HG1 VAL 72 4.224 1.795 -0.789 608 1HG2 VAL 72 1HG2 VAL 72 1.944 0.557 -3.317 609 2HG2 VAL 72 2HG2 VAL 72 3.065 -0.501 -4.173 610 3HG2 VAL 72 3HG2 VAL 72 3.154 1.246 -4.396 611 H ASN 73 H ASN 73 6.190 2.660 -1.657 612 HA ASN 73 HA ASN 73 7.520 1.074 0.396 613 1HB ASN 73 1HB ASN 73 9.159 1.156 -1.477 614 2HB ASN 73 2HB ASN 73 9.139 2.915 -1.368 615 1HD2 ASN 73 1HD2 ASN 73 8.764 1.189 1.639 616 2HD2 ASN 73 2HD2 ASN 73 10.338 1.452 2.215 617 H PHE 74 H PHE 74 8.116 2.231 2.201 618 HA PHE 74 HA PHE 74 7.268 5.068 2.318 619 1HB PHE 74 1HB PHE 74 7.007 3.537 4.821 620 2HB PHE 74 2HB PHE 74 5.887 4.681 4.082 621 HD1 PHE 74 HD1 PHE 74 7.271 1.239 3.532 622 HD2 PHE 74 HD2 PHE 74 3.882 3.857 3.200 623 HE1 PHE 74 HE1 PHE 74 5.882 -0.658 2.747 624 HE2 PHE 74 HE2 PHE 74 2.494 1.958 2.413 625 HZ PHE 74 HZ PHE 74 3.495 -0.299 2.189 626 H VAL 75 H VAL 75 8.507 6.399 3.681 627 HA VAL 75 HA VAL 75 10.799 5.196 5.060 628 HB VAL 75 HB VAL 75 12.430 6.565 3.944 629 1HG1 VAL 75 1HG1 VAL 75 10.637 5.364 1.819 630 2HG1 VAL 75 2HG1 VAL 75 11.696 4.412 2.859 631 3HG1 VAL 75 3HG1 VAL 75 12.383 5.587 1.737 632 1HG2 VAL 75 1HG2 VAL 75 11.307 8.597 3.497 633 2HG2 VAL 75 2HG2 VAL 75 9.990 7.786 2.654 634 3HG2 VAL 75 3HG2 VAL 75 11.577 7.913 1.895 635 H ASN 76 H ASN 76 12.194 7.590 5.508 636 HA ASN 76 HA ASN 76 10.359 8.881 7.407 637 1HB ASN 76 1HB ASN 76 13.286 9.479 7.334 638 2HB ASN 76 2HB ASN 76 12.197 9.369 8.713 639 1HD2 ASN 76 1HD2 ASN 76 12.777 7.598 9.971 640 2HD2 ASN 76 2HD2 ASN 76 13.260 6.089 9.364 641 H GLU 77 H GLU 77 10.463 11.205 7.696 642 HA GLU 77 HA GLU 77 9.891 12.684 5.457 643 1HB GLU 77 1HB GLU 77 9.582 13.305 7.923 644 2HB GLU 77 2HB GLU 77 11.240 13.905 7.860 645 1HG GLU 77 1HG GLU 77 10.561 15.300 5.863 646 2HG GLU 77 2HG GLU 77 8.892 14.830 6.185 647 H GLN 78 H GLN 78 13.070 12.136 6.914 648 HA GLN 78 HA GLN 78 14.418 14.034 5.249 649 1HB GLN 78 1HB GLN 78 15.279 13.192 7.461 650 2HB GLN 78 2HB GLN 78 15.619 11.650 6.677 651 1HG GLN 78 1HG GLN 78 17.010 12.925 4.990 652 2HG GLN 78 2HG GLN 78 16.814 14.350 6.008 653 1HE2 GLN 78 1HE2 GLN 78 19.408 13.586 5.731 654 2HE2 GLN 78 2HE2 GLN 78 19.970 12.777 7.114 655 H ASP 79 H ASP 79 14.272 10.468 5.232 656 HA ASP 79 HA ASP 79 15.720 10.080 2.855 657 1HB ASP 79 1HB ASP 79 13.620 8.452 4.274 658 2HB ASP 79 2HB ASP 79 14.361 7.896 2.774 659 H PHE 80 H PHE 80 12.185 10.269 3.384 660 HA PHE 80 HA PHE 80 11.312 9.953 0.778 661 1HB PHE 80 1HB PHE 80 9.598 10.063 2.347 662 2HB PHE 80 2HB PHE 80 10.294 11.458 3.166 663 HD1 PHE 80 HD1 PHE 80 8.559 10.376 0.048 664 HD2 PHE 80 HD2 PHE 80 9.676 13.670 2.566 665 HE1 PHE 80 HE1 PHE 80 7.090 11.879 -1.268 666 HE2 PHE 80 HE2 PHE 80 8.209 15.174 1.250 667 HZ PHE 80 HZ PHE 80 6.915 14.279 -0.668 668 H PHE 81 H PHE 81 12.534 12.851 2.417 669 HA PHE 81 HA PHE 81 12.031 14.724 0.375 670 1HB PHE 81 1HB PHE 81 12.778 15.135 2.798 671 2HB PHE 81 2HB PHE 81 14.417 14.861 2.205 672 HD1 PHE 81 HD1 PHE 81 15.587 16.567 1.053 673 HD2 PHE 81 HD2 PHE 81 11.339 16.887 1.606 674 HE1 PHE 81 HE1 PHE 81 15.641 18.874 0.148 675 HE2 PHE 81 HE2 PHE 81 11.394 19.194 0.703 676 HZ PHE 81 HZ PHE 81 13.546 20.190 -0.025 677 H PHE 82 H PHE 82 14.709 12.472 0.890 678 HA PHE 82 HA PHE 82 16.448 13.565 -1.067 679 1HB PHE 82 1HB PHE 82 17.178 11.973 0.688 680 2HB PHE 82 2HB PHE 82 16.242 10.702 -0.099 681 HD1 PHE 82 HD1 PHE 82 17.311 9.347 -1.677 682 HD2 PHE 82 HD2 PHE 82 18.836 13.290 -0.915 683 HE1 PHE 82 HE1 PHE 82 19.208 8.910 -3.212 684 HE2 PHE 82 HE2 PHE 82 20.732 12.853 -2.452 685 HZ PHE 82 HZ PHE 82 20.918 10.664 -3.600 686 H ASN 83 H ASN 83 13.673 11.472 -1.203 687 HA ASN 83 HA ASN 83 14.148 10.365 -3.778 688 1HB ASN 83 1HB ASN 83 12.219 10.077 -1.759 689 2HB ASN 83 2HB ASN 83 11.323 10.628 -3.174 690 1HD2 ASN 83 1HD2 ASN 83 13.560 8.078 -2.039 691 2HD2 ASN 83 2HD2 ASN 83 13.140 6.955 -3.240 692 H LEU 84 H LEU 84 12.306 13.248 -2.725 693 HA LEU 84 HA LEU 84 11.600 13.862 -5.479 694 1HB LEU 84 1HB LEU 84 10.845 16.092 -4.232 695 2HB LEU 84 2HB LEU 84 9.879 14.622 -4.178 696 HG LEU 84 HG LEU 84 11.993 14.924 -2.091 697 1HD1 LEU 84 1HD1 LEU 84 10.352 16.245 -0.698 698 2HD1 LEU 84 2HD1 LEU 84 9.422 16.523 -2.171 699 3HD1 LEU 84 3HD1 LEU 84 11.065 17.151 -2.033 700 1HD2 LEU 84 1HD2 LEU 84 9.112 13.970 -2.093 701 2HD2 LEU 84 2HD2 LEU 84 10.230 13.831 -0.738 702 3HD2 LEU 84 3HD2 LEU 84 10.530 12.933 -2.228 703 H ALA 85 H ALA 85 14.195 14.494 -3.357 704 HA ALA 85 HA ALA 85 14.990 17.028 -4.457 705 1HB ALA 85 1HB ALA 85 16.645 15.025 -2.902 706 2HB ALA 85 2HB ALA 85 15.633 16.274 -2.175 707 3HB ALA 85 3HB ALA 85 17.023 16.729 -3.160 708 H LYS 86 H LYS 86 15.419 13.708 -5.324 709 HA LYS 86 HA LYS 86 17.768 13.578 -6.700 710 1HB LYS 86 1HB LYS 86 16.230 11.692 -6.564 711 2HB LYS 86 2HB LYS 86 15.079 12.525 -7.607 712 1HG LYS 86 1HG LYS 86 16.480 12.357 -9.499 713 2HG LYS 86 2HG LYS 86 17.908 12.018 -8.523 714 1HD LYS 86 1HD LYS 86 15.587 10.116 -8.397 715 2HD LYS 86 2HD LYS 86 16.659 10.056 -9.795 716 1HE LYS 86 1HE LYS 86 17.778 10.052 -6.994 717 2HE LYS 86 2HE LYS 86 17.239 8.558 -7.756 718 1HZ LYS 86 1HZ LYS 86 19.150 8.484 -8.839 719 2HZ LYS 86 2HZ LYS 86 19.641 9.959 -8.152 720 3HZ LYS 86 3HZ LYS 86 18.779 9.945 -9.616 721 H LEU 87 H LEU 87 14.723 14.965 -7.905 722 HA LEU 87 HA LEU 87 15.369 15.587 -10.492 723 1HB LEU 87 1HB LEU 87 13.777 17.113 -8.437 724 2HB LEU 87 2HB LEU 87 13.951 17.706 -10.089 725 HG LEU 87 HG LEU 87 13.046 15.577 -10.952 726 1HD1 LEU 87 1HD1 LEU 87 13.668 13.967 -9.328 727 2HD1 LEU 87 2HD1 LEU 87 11.917 14.096 -9.158 728 3HD1 LEU 87 3HD1 LEU 87 12.975 14.910 -8.006 729 1HD2 LEU 87 1HD2 LEU 87 11.534 17.493 -10.379 730 2HD2 LEU 87 2HD2 LEU 87 11.275 16.766 -8.793 731 3HD2 LEU 87 3HD2 LEU 87 10.738 15.925 -10.247 732 H GLU 88 H GLU 88 16.810 16.850 -11.495 733 HA GLU 88 HA GLU 88 18.788 18.267 -9.964 734 1HB GLU 88 1HB GLU 88 19.057 17.015 -12.232 735 2HB GLU 88 2HB GLU 88 18.466 18.515 -12.946 736 1HG GLU 88 1HG GLU 88 20.264 19.708 -11.565 737 2HG GLU 88 2HG GLU 88 20.941 18.110 -11.258 738 H GLU 89 H GLU 89 18.750 20.237 -12.422 739 HA GLU 89 HA GLU 89 17.443 22.367 -10.967 740 1HB GLU 89 1HB GLU 89 19.622 22.359 -12.524 741 2HB GLU 89 2HB GLU 89 18.430 22.776 -13.754 742 1HG GLU 89 1HG GLU 89 18.921 24.244 -11.145 743 2HG GLU 89 2HG GLU 89 19.308 24.824 -12.764 744 H ASN 90 H ASN 90 16.794 20.363 -13.761 745 HA ASN 90 HA ASN 90 14.587 21.959 -14.712 746 1HB ASN 90 1HB ASN 90 14.155 19.875 -16.120 747 2HB ASN 90 2HB ASN 90 15.706 20.678 -16.366 748 1HD2 ASN 90 1HD2 ASN 90 16.769 18.683 -17.040 749 2HD2 ASN 90 2HD2 ASN 90 17.107 17.445 -15.930 750 H SER 91 H SER 91 12.404 20.871 -15.002 751 HA SER 91 HA SER 91 11.571 18.884 -13.125 752 1HB SER 91 1HB SER 91 10.933 21.775 -12.510 753 2HB SER 91 2HB SER 91 10.076 20.409 -11.800 754 HG SER 91 HG SER 91 11.651 20.411 -10.413 755 H ARG 92 H ARG 92 9.106 21.054 -13.176 756 HA ARG 92 HA ARG 92 7.652 19.597 -15.181 757 1HB ARG 92 1HB ARG 92 7.018 22.002 -13.471 758 2HB ARG 92 2HB ARG 92 5.895 21.399 -14.688 759 1HG ARG 92 1HG ARG 92 7.059 19.433 -12.746 760 2HG ARG 92 2HG ARG 92 5.796 20.520 -12.172 761 1HD ARG 92 1HD ARG 92 5.435 18.997 -14.745 762 2HD ARG 92 2HD ARG 92 5.097 18.227 -13.198 763 HE ARG 92 HE ARG 92 3.537 20.314 -14.465 764 1HH1 ARG 92 1HH1 ARG 92 4.417 18.711 -11.526 765 2HH1 ARG 92 2HH1 ARG 92 2.966 19.152 -10.689 766 1HH2 ARG 92 1HH2 ARG 92 1.634 20.898 -13.373 767 2HH2 ARG 92 2HH2 ARG 92 1.390 20.390 -11.734 768 H ASP 93 H ASP 93 9.517 20.254 -16.752 769 HA ASP 93 HA ASP 93 9.411 22.902 -17.856 770 1HB ASP 93 1HB ASP 93 10.525 20.488 -19.269 771 2HB ASP 93 2HB ASP 93 11.053 22.168 -19.371 772 H THR 94 H THR 94 7.383 20.233 -18.100 773 HA THR 94 HA THR 94 6.625 20.402 -20.844 774 HB THR 94 HB THR 94 6.179 18.411 -19.447 775 HG1 THR 94 HG1 THR 94 4.873 18.649 -21.211 776 1HG2 THR 94 1HG2 THR 94 4.034 20.087 -18.127 777 2HG2 THR 94 2HG2 THR 94 5.610 19.791 -17.391 778 3HG2 THR 94 3HG2 THR 94 4.521 18.443 -17.716 779 H LEU 95 H LEU 95 5.133 21.647 -21.845 780 HA LEU 95 HA LEU 95 3.484 23.457 -20.187 781 1HB LEU 95 1HB LEU 95 4.319 24.597 -22.762 782 2HB LEU 95 2HB LEU 95 4.310 25.325 -21.158 783 HG LEU 95 HG LEU 95 6.368 23.915 -20.638 784 1HD1 LEU 95 1HD1 LEU 95 7.417 23.645 -23.235 785 2HD1 LEU 95 2HD1 LEU 95 5.785 22.988 -23.339 786 3HD1 LEU 95 3HD1 LEU 95 6.922 22.341 -22.159 787 1HD2 LEU 95 1HD2 LEU 95 7.867 25.456 -21.997 788 2HD2 LEU 95 2HD2 LEU 95 6.626 26.269 -21.043 789 3HD2 LEU 95 3HD2 LEU 95 6.405 26.056 -22.779 790 H TYR 96 H TYR 96 1.525 22.540 -20.498 791 HA TYR 96 HA TYR 96 0.631 22.143 -23.297 792 1HB TYR 96 1HB TYR 96 0.824 20.104 -21.683 793 2HB TYR 96 2HB TYR 96 -0.636 20.762 -20.944 794 HD1 TYR 96 HD1 TYR 96 0.789 19.884 -24.299 795 HD2 TYR 96 HD2 TYR 96 -2.729 20.226 -21.857 796 HE1 TYR 96 HE1 TYR 96 -0.574 18.901 -26.123 797 HE2 TYR 96 HE2 TYR 96 -4.091 19.243 -23.682 798 HH TYR 96 HH TYR 96 -3.481 17.598 -25.746 799 H GLN 97 H GLN 97 -2.016 21.974 -23.036 800 HA GLN 97 HA GLN 97 -3.049 24.113 -21.361 801 1HB GLN 97 1HB GLN 97 -2.095 25.224 -23.430 802 2HB GLN 97 2HB GLN 97 -3.317 24.356 -24.360 803 1HG GLN 97 1HG GLN 97 -5.102 25.402 -23.073 804 2HG GLN 97 2HG GLN 97 -3.924 26.197 -22.030 805 1HE2 GLN 97 1HE2 GLN 97 -3.267 28.260 -22.676 806 2HE2 GLN 97 2HE2 GLN 97 -3.506 28.905 -24.228 807 H ASN 98 H ASN 98 -5.208 23.893 -20.965 808 HA ASN 98 HA ASN 98 -6.448 21.411 -21.664 809 1HB ASN 98 1HB ASN 98 -6.807 22.689 -19.514 810 2HB ASN 98 2HB ASN 98 -7.776 23.834 -20.440 811 1HD2 ASN 98 1HD2 ASN 98 -9.835 23.070 -21.328 812 2HD2 ASN 98 2HD2 ASN 98 -10.546 21.633 -20.771 813 H SER 99 H SER 99 -5.773 22.836 -24.000 814 HA SER 99 HA SER 99 -8.239 22.707 -25.418 815 1HB SER 99 1HB SER 99 -8.308 25.101 -26.125 816 2HB SER 99 2HB SER 99 -8.678 24.868 -24.419 817 HG SER 99 HG SER 99 -6.018 25.137 -24.824 818 H GLY 100 H GLY 100 -6.112 21.303 -25.990 819 1HA GLY 100 1HA GLY 100 -4.191 22.561 -27.693 820 2HA GLY 100 2HA GLY 100 -4.466 20.828 -27.539 Start of MODEL 2 1 H MET 1 H MET 1 -7.568 16.309 -4.097 2 HA MET 1 HA MET 1 -6.240 14.247 -5.763 3 1HB MET 1 1HB MET 1 -5.948 14.907 -2.820 4 2HB MET 1 2HB MET 1 -4.948 13.809 -3.772 5 1HG MET 1 1HG MET 1 -4.163 15.685 -5.149 6 2HG MET 1 2HG MET 1 -5.192 16.795 -4.244 7 1HE MET 1 1HE MET 1 -3.043 17.972 -4.384 8 2HE MET 1 2HE MET 1 -1.830 17.953 -3.106 9 3HE MET 1 3HE MET 1 -3.477 18.458 -2.740 10 H GLU 2 H GLU 2 -8.804 13.887 -5.963 11 HA GLU 2 HA GLU 2 -9.904 12.450 -3.682 12 1HB GLU 2 1HB GLU 2 -10.958 13.190 -6.408 13 2HB GLU 2 2HB GLU 2 -11.832 12.090 -5.341 14 1HG GLU 2 1HG GLU 2 -11.823 13.813 -3.567 15 2HG GLU 2 2HG GLU 2 -10.978 14.917 -4.651 16 H GLN 3 H GLN 3 -8.784 11.761 -6.970 17 HA GLN 3 HA GLN 3 -9.477 9.047 -7.029 18 1HB GLN 3 1HB GLN 3 -8.540 9.135 -9.086 19 2HB GLN 3 2HB GLN 3 -8.136 10.814 -8.743 20 1HG GLN 3 1HG GLN 3 -5.982 10.037 -7.725 21 2HG GLN 3 2HG GLN 3 -6.383 8.393 -8.222 22 1HE2 GLN 3 1HE2 GLN 3 -7.646 9.286 -10.777 23 2HE2 GLN 3 2HE2 GLN 3 -6.361 9.754 -11.783 24 H PHE 4 H PHE 4 -6.698 10.712 -5.668 25 HA PHE 4 HA PHE 4 -5.152 8.422 -5.034 26 1HB PHE 4 1HB PHE 4 -4.290 10.768 -5.006 27 2HB PHE 4 2HB PHE 4 -5.250 11.065 -3.557 28 HD1 PHE 4 HD1 PHE 4 -2.568 8.875 -4.955 29 HD2 PHE 4 HD2 PHE 4 -4.457 10.423 -1.421 30 HE1 PHE 4 HE1 PHE 4 -0.770 7.886 -3.561 31 HE2 PHE 4 HE2 PHE 4 -2.659 9.435 -0.027 32 HZ PHE 4 HZ PHE 4 -0.816 8.167 -1.097 33 H ASN 5 H ASN 5 -7.518 10.325 -3.184 34 HA ASN 5 HA ASN 5 -7.428 8.848 -0.798 35 1HB ASN 5 1HB ASN 5 -8.620 11.070 -1.248 36 2HB ASN 5 2HB ASN 5 -9.933 10.105 -1.919 37 1HD2 ASN 5 1HD2 ASN 5 -10.986 11.291 0.111 38 2HD2 ASN 5 2HD2 ASN 5 -10.946 10.409 1.560 39 H ALA 6 H ALA 6 -9.200 8.351 -3.810 40 HA ALA 6 HA ALA 6 -10.926 6.302 -2.978 41 1HB ALA 6 1HB ALA 6 -11.205 5.790 -5.281 42 2HB ALA 6 2HB ALA 6 -9.605 6.410 -5.690 43 3HB ALA 6 3HB ALA 6 -10.890 7.524 -5.226 44 H PHE 7 H PHE 7 -7.565 6.249 -4.060 45 HA PHE 7 HA PHE 7 -7.267 3.417 -4.087 46 1HB PHE 7 1HB PHE 7 -5.403 4.213 -5.113 47 2HB PHE 7 2HB PHE 7 -5.528 5.775 -4.310 48 HD1 PHE 7 HD1 PHE 7 -4.404 2.251 -3.855 49 HD2 PHE 7 HD2 PHE 7 -4.203 6.289 -2.403 50 HE1 PHE 7 HE1 PHE 7 -2.563 1.609 -2.322 51 HE2 PHE 7 HE2 PHE 7 -2.363 5.645 -0.870 52 HZ PHE 7 HZ PHE 7 -1.542 3.306 -0.829 53 H LYS 8 H LYS 8 -7.036 5.904 -1.643 54 HA LYS 8 HA LYS 8 -5.879 4.399 0.468 55 1HB LYS 8 1HB LYS 8 -6.308 6.953 0.244 56 2HB LYS 8 2HB LYS 8 -7.892 6.573 0.918 57 1HG LYS 8 1HG LYS 8 -6.906 5.600 2.893 58 2HG LYS 8 2HG LYS 8 -5.288 5.688 2.196 59 1HD LYS 8 1HD LYS 8 -5.303 7.573 3.573 60 2HD LYS 8 2HD LYS 8 -5.800 8.266 2.031 61 1HE LYS 8 1HE LYS 8 -7.458 9.135 3.391 62 2HE LYS 8 2HE LYS 8 -8.230 7.617 2.938 63 1HZ LYS 8 1HZ LYS 8 -7.230 8.475 5.492 64 2HZ LYS 8 2HZ LYS 8 -6.701 6.919 5.057 65 3HZ LYS 8 3HZ LYS 8 -8.363 7.268 5.122 66 H SER 9 H SER 9 -9.290 5.120 -0.352 67 HA SER 9 HA SER 9 -10.382 3.661 1.774 68 1HB SER 9 1HB SER 9 -11.826 5.158 0.565 69 2HB SER 9 2HB SER 9 -11.502 4.338 -0.959 70 HG SER 9 HG SER 9 -12.880 3.330 1.311 71 H LEU 10 H LEU 10 -8.960 2.710 -1.224 72 HA LEU 10 HA LEU 10 -10.088 0.115 -1.441 73 1HB LEU 10 1HB LEU 10 -8.515 1.579 -3.075 74 2HB LEU 10 2HB LEU 10 -7.280 0.553 -2.348 75 HG LEU 10 HG LEU 10 -9.754 -0.332 -3.863 76 1HD1 LEU 10 1HD1 LEU 10 -8.119 0.037 -5.475 77 2HD1 LEU 10 2HD1 LEU 10 -7.765 -1.636 -5.050 78 3HD1 LEU 10 3HD1 LEU 10 -6.793 -0.331 -4.374 79 1HD2 LEU 10 1HD2 LEU 10 -8.819 -2.663 -3.402 80 2HD2 LEU 10 2HD2 LEU 10 -9.570 -1.866 -2.027 81 3HD2 LEU 10 3HD2 LEU 10 -7.813 -1.919 -2.160 82 H LEU 11 H LEU 11 -7.269 1.452 0.227 83 HA LEU 11 HA LEU 11 -6.119 -0.970 1.095 84 1HB LEU 11 1HB LEU 11 -6.026 1.872 2.044 85 2HB LEU 11 2HB LEU 11 -5.417 0.620 3.120 86 HG LEU 11 HG LEU 11 -4.520 0.552 0.264 87 1HD1 LEU 11 1HD1 LEU 11 -2.600 2.102 1.021 88 2HD1 LEU 11 2HD1 LEU 11 -3.681 2.601 2.322 89 3HD1 LEU 11 3HD1 LEU 11 -4.143 2.865 0.640 90 1HD2 LEU 11 1HD2 LEU 11 -2.461 -0.277 1.330 91 2HD2 LEU 11 2HD2 LEU 11 -3.855 -1.183 1.918 92 3HD2 LEU 11 3HD2 LEU 11 -3.130 0.072 2.924 93 H LYS 12 H LYS 12 -8.653 1.082 2.496 94 HA LYS 12 HA LYS 12 -9.113 0.022 4.958 95 1HB LYS 12 1HB LYS 12 -10.580 1.673 3.673 96 2HB LYS 12 2HB LYS 12 -11.366 0.262 2.961 97 1HG LYS 12 1HG LYS 12 -11.781 -0.581 5.310 98 2HG LYS 12 2HG LYS 12 -11.204 0.977 5.900 99 1HD LYS 12 1HD LYS 12 -13.476 1.421 5.778 100 2HD LYS 12 2HD LYS 12 -12.986 1.913 4.156 101 1HE LYS 12 1HE LYS 12 -14.889 0.505 3.851 102 2HE LYS 12 2HE LYS 12 -13.495 -0.490 3.432 103 1HZ LYS 12 1HZ LYS 12 -15.333 -0.727 5.647 104 2HZ LYS 12 2HZ LYS 12 -13.697 -0.915 6.068 105 3HZ LYS 12 3HZ LYS 12 -14.395 -1.915 4.885 106 H LYS 13 H LYS 13 -10.403 -1.444 1.967 107 HA LYS 13 HA LYS 13 -11.455 -3.789 3.030 108 1HB LYS 13 1HB LYS 13 -11.057 -2.776 0.493 109 2HB LYS 13 2HB LYS 13 -10.004 -4.188 0.503 110 1HG LYS 13 1HG LYS 13 -12.090 -5.044 -0.204 111 2HG LYS 13 2HG LYS 13 -12.022 -5.452 1.511 112 1HD LYS 13 1HD LYS 13 -13.162 -3.005 1.694 113 2HD LYS 13 2HD LYS 13 -13.749 -3.473 0.098 114 1HE LYS 13 1HE LYS 13 -15.400 -4.288 1.584 115 2HE LYS 13 2HE LYS 13 -14.422 -5.707 1.206 116 1HZ LYS 13 1HZ LYS 13 -13.663 -4.045 3.499 117 2HZ LYS 13 2HZ LYS 13 -13.462 -5.715 3.259 118 3HZ LYS 13 3HZ LYS 13 -14.989 -5.089 3.664 119 H HIS 14 H HIS 14 -8.145 -3.028 2.088 120 HA HIS 14 HA HIS 14 -7.026 -5.598 2.578 121 1HB HIS 14 1HB HIS 14 -6.054 -3.577 1.271 122 2HB HIS 14 2HB HIS 14 -5.492 -3.026 2.846 123 HD1 HIS 14 HD1 HIS 14 -5.435 -6.503 3.236 124 HD2 HIS 14 HD2 HIS 14 -3.006 -3.876 1.095 125 HE1 HIS 14 HE1 HIS 14 -3.245 -7.712 2.840 126 HE2 HIS 14 HE2 HIS 14 -1.754 -6.125 1.536 127 H TYR 15 H TYR 15 -6.625 -2.582 4.442 128 HA TYR 15 HA TYR 15 -5.820 -4.083 6.791 129 1HB TYR 15 1HB TYR 15 -5.848 -1.213 5.951 130 2HB TYR 15 2HB TYR 15 -5.825 -1.570 7.675 131 HD1 TYR 15 HD1 TYR 15 -3.606 -0.869 8.201 132 HD2 TYR 15 HD2 TYR 15 -4.279 -3.666 5.008 133 HE1 TYR 15 HE1 TYR 15 -1.174 -1.333 8.094 134 HE2 TYR 15 HE2 TYR 15 -1.847 -4.129 4.904 135 HH TYR 15 HH TYR 15 0.119 -3.908 6.094 136 H GLU 16 H GLU 16 -8.636 -4.241 5.756 137 HA GLU 16 HA GLU 16 -10.459 -2.782 7.236 138 1HB GLU 16 1HB GLU 16 -10.507 -5.116 5.628 139 2HB GLU 16 2HB GLU 16 -11.312 -5.539 7.137 140 1HG GLU 16 1HG GLU 16 -11.961 -3.130 5.409 141 2HG GLU 16 2HG GLU 16 -12.913 -4.610 5.502 142 H LYS 17 H LYS 17 -9.045 -5.937 8.138 143 HA LYS 17 HA LYS 17 -10.060 -5.744 10.836 144 1HB LYS 17 1HB LYS 17 -8.382 -7.715 9.316 145 2HB LYS 17 2HB LYS 17 -8.443 -7.800 11.075 146 1HG LYS 17 1HG LYS 17 -10.836 -8.069 11.057 147 2HG LYS 17 2HG LYS 17 -10.918 -7.728 9.329 148 1HD LYS 17 1HD LYS 17 -9.183 -9.997 10.241 149 2HD LYS 17 2HD LYS 17 -10.931 -10.235 10.231 150 1HE LYS 17 1HE LYS 17 -9.484 -9.115 7.829 151 2HE LYS 17 2HE LYS 17 -9.649 -10.852 8.080 152 1HZ LYS 17 1HZ LYS 17 -11.997 -9.072 8.224 153 2HZ LYS 17 2HZ LYS 17 -11.942 -10.743 7.922 154 3HZ LYS 17 3HZ LYS 17 -11.435 -9.644 6.729 155 H THR 18 H THR 18 -7.678 -4.131 9.324 156 HA THR 18 HA THR 18 -6.001 -3.979 11.762 157 HB THR 18 HB THR 18 -5.089 -3.577 8.904 158 HG1 THR 18 HG1 THR 18 -5.204 -5.690 9.018 159 1HG2 THR 18 1HG2 THR 18 -2.844 -3.969 10.317 160 2HG2 THR 18 2HG2 THR 18 -3.830 -3.254 11.590 161 3HG2 THR 18 3HG2 THR 18 -3.537 -2.365 10.095 162 H ILE 19 H ILE 19 -8.091 -2.375 11.841 163 HA ILE 19 HA ILE 19 -7.604 0.153 10.519 164 HB ILE 19 HB ILE 19 -9.902 -0.542 10.957 165 1HG1 ILE 19 1HG1 ILE 19 -9.186 1.778 12.773 166 2HG1 ILE 19 2HG1 ILE 19 -9.234 1.897 11.013 167 1HG2 ILE 19 1HG2 ILE 19 -9.516 -0.145 13.909 168 2HG2 ILE 19 2HG2 ILE 19 -9.100 -1.705 13.197 169 3HG2 ILE 19 3HG2 ILE 19 -10.744 -1.081 13.058 170 1HD1 ILE 19 1HD1 ILE 19 -11.367 2.637 12.062 171 2HD1 ILE 19 2HD1 ILE 19 -11.561 1.025 12.752 172 3HD1 ILE 19 3HD1 ILE 19 -11.593 1.244 11.002 173 H GLY 20 H GLY 20 -7.828 -0.746 13.986 174 1HA GLY 20 1HA GLY 20 -6.986 1.373 15.325 175 2HA GLY 20 2HA GLY 20 -6.280 -0.202 15.678 176 H PHE 21 H PHE 21 -4.530 -0.812 13.927 177 HA PHE 21 HA PHE 21 -2.262 0.669 14.297 178 1HB PHE 21 1HB PHE 21 -2.231 -1.534 13.233 179 2HB PHE 21 2HB PHE 21 -3.026 -0.875 11.804 180 HD1 PHE 21 HD1 PHE 21 -1.707 -0.136 10.023 181 HD2 PHE 21 HD2 PHE 21 -0.015 -0.284 13.968 182 HE1 PHE 21 HE1 PHE 21 0.499 0.517 9.101 183 HE2 PHE 21 HE2 PHE 21 2.192 0.373 13.044 184 HZ PHE 21 HZ PHE 21 2.447 0.772 10.612 185 H HIS 22 H HIS 22 -4.512 0.961 11.548 186 HA HIS 22 HA HIS 22 -3.228 3.156 10.308 187 1HB HIS 22 1HB HIS 22 -4.967 1.738 9.199 188 2HB HIS 22 2HB HIS 22 -6.176 2.442 10.269 189 HD1 HIS 22 HD1 HIS 22 -6.965 4.825 9.794 190 HD2 HIS 22 HD2 HIS 22 -3.925 3.575 7.229 191 HE1 HIS 22 HE1 HIS 22 -6.829 6.554 7.951 192 HE2 HIS 22 HE2 HIS 22 -4.980 5.807 6.376 193 H ASP 23 H ASP 23 -5.959 3.099 12.627 194 HA ASP 23 HA ASP 23 -6.240 5.909 12.755 195 1HB ASP 23 1HB ASP 23 -7.824 4.101 13.666 196 2HB ASP 23 2HB ASP 23 -6.753 4.035 15.065 197 H LYS 24 H LYS 24 -3.646 4.058 13.505 198 HA LYS 24 HA LYS 24 -2.703 5.664 15.789 199 1HB LYS 24 1HB LYS 24 -2.504 3.012 15.391 200 2HB LYS 24 2HB LYS 24 -1.023 3.525 14.585 201 1HG LYS 24 1HG LYS 24 -0.267 3.271 16.773 202 2HG LYS 24 2HG LYS 24 -0.691 4.982 16.763 203 1HD LYS 24 1HD LYS 24 -2.948 4.377 17.670 204 2HD LYS 24 2HD LYS 24 -2.408 2.703 17.790 205 1HE LYS 24 1HE LYS 24 -0.802 3.217 19.446 206 2HE LYS 24 2HE LYS 24 -0.851 4.943 19.083 207 1HZ LYS 24 1HZ LYS 24 -3.431 4.035 19.770 208 2HZ LYS 24 2HZ LYS 24 -2.472 5.207 20.542 209 3HZ LYS 24 3HZ LYS 24 -2.337 3.571 20.980 210 H TYR 25 H TYR 25 -0.898 4.451 12.936 211 HA TYR 25 HA TYR 25 0.409 7.084 12.934 212 1HB TYR 25 1HB TYR 25 1.321 4.589 11.489 213 2HB TYR 25 2HB TYR 25 2.260 6.050 11.797 214 HD1 TYR 25 HD1 TYR 25 1.712 2.783 12.913 215 HD2 TYR 25 HD2 TYR 25 2.242 6.777 14.406 216 HE1 TYR 25 HE1 TYR 25 2.435 1.870 15.102 217 HE2 TYR 25 HE2 TYR 25 2.963 5.862 16.594 218 HH TYR 25 HH TYR 25 4.092 3.437 17.291 219 H ILE 26 H ILE 26 -0.089 4.757 10.280 220 HA ILE 26 HA ILE 26 -0.096 6.416 8.159 221 HB ILE 26 HB ILE 26 -2.109 4.194 8.578 222 1HG1 ILE 26 1HG1 ILE 26 0.620 4.143 7.254 223 2HG1 ILE 26 2HG1 ILE 26 0.320 3.596 8.903 224 1HG2 ILE 26 1HG2 ILE 26 -1.083 5.613 6.106 225 2HG2 ILE 26 2HG2 ILE 26 -2.748 5.542 6.679 226 3HG2 ILE 26 3HG2 ILE 26 -1.967 4.089 6.056 227 1HD1 ILE 26 1HD1 ILE 26 0.290 1.769 7.135 228 2HD1 ILE 26 2HD1 ILE 26 -1.186 2.505 6.514 229 3HD1 ILE 26 3HD1 ILE 26 -1.148 1.854 8.152 230 H LYS 27 H LYS 27 -2.509 6.338 10.641 231 HA LYS 27 HA LYS 27 -4.767 7.209 10.442 232 1HB LYS 27 1HB LYS 27 -2.637 9.275 10.978 233 2HB LYS 27 2HB LYS 27 -4.349 9.679 11.080 234 1HG LYS 27 1HG LYS 27 -4.708 7.989 12.778 235 2HG LYS 27 2HG LYS 27 -3.054 7.400 12.598 236 1HD LYS 27 1HD LYS 27 -2.122 9.309 13.599 237 2HD LYS 27 2HD LYS 27 -3.554 10.289 13.290 238 1HE LYS 27 1HE LYS 27 -4.806 8.804 14.914 239 2HE LYS 27 2HE LYS 27 -3.256 8.071 15.330 240 1HZ LYS 27 1HZ LYS 27 -3.237 10.949 15.351 241 2HZ LYS 27 2HZ LYS 27 -2.647 9.848 16.504 242 3HZ LYS 27 3HZ LYS 27 -4.292 10.271 16.492 243 H ASP 28 H ASP 28 -3.696 10.258 9.462 244 HA ASP 28 HA ASP 28 -4.342 9.910 6.642 245 1HB ASP 28 1HB ASP 28 -6.517 10.249 7.982 246 2HB ASP 28 2HB ASP 28 -5.947 11.896 8.245 247 H ILE 29 H ILE 29 -1.960 10.518 7.037 248 HA ILE 29 HA ILE 29 -1.199 13.089 7.861 249 HB ILE 29 HB ILE 29 0.241 11.662 5.641 250 1HG1 ILE 29 1HG1 ILE 29 0.048 10.812 8.547 251 2HG1 ILE 29 2HG1 ILE 29 -0.382 9.856 7.129 252 1HG2 ILE 29 1HG2 ILE 29 1.361 12.865 8.171 253 2HG2 ILE 29 2HG2 ILE 29 0.949 13.884 6.793 254 3HG2 ILE 29 3HG2 ILE 29 2.163 12.618 6.620 255 1HD1 ILE 29 1HD1 ILE 29 1.774 9.081 7.774 256 2HD1 ILE 29 2HD1 ILE 29 2.373 10.722 8.020 257 3HD1 ILE 29 3HD1 ILE 29 2.054 10.136 6.387 258 H ASN 30 H ASN 30 0.283 13.502 5.180 259 HA ASN 30 HA ASN 30 -1.630 14.251 3.237 260 1HB ASN 30 1HB ASN 30 -1.463 16.726 3.513 261 2HB ASN 30 2HB ASN 30 -2.340 15.935 4.821 262 1HD2 ASN 30 1HD2 ASN 30 -1.179 15.665 6.909 263 2HD2 ASN 30 2HD2 ASN 30 0.141 16.667 7.278 264 H ARG 31 H ARG 31 0.992 13.012 3.452 265 HA ARG 31 HA ARG 31 2.378 14.695 1.488 266 1HB ARG 31 1HB ARG 31 3.300 14.872 3.959 267 2HB ARG 31 2HB ARG 31 4.040 13.320 3.570 268 1HG ARG 31 1HG ARG 31 5.677 14.888 2.911 269 2HG ARG 31 2HG ARG 31 4.860 14.483 1.401 270 1HD ARG 31 1HD ARG 31 4.565 16.717 1.147 271 2HD ARG 31 2HD ARG 31 3.328 16.578 2.391 272 HE ARG 31 HE ARG 31 5.604 16.876 3.842 273 1HH1 ARG 31 1HH1 ARG 31 4.220 18.549 1.148 274 2HH1 ARG 31 2HH1 ARG 31 4.890 20.086 1.581 275 1HH2 ARG 31 1HH2 ARG 31 6.487 18.890 4.418 276 2HH2 ARG 31 2HH2 ARG 31 6.174 20.279 3.432 277 H PHE 32 H PHE 32 1.829 13.357 -0.123 278 HA PHE 32 HA PHE 32 3.325 10.843 -0.346 279 1HB PHE 32 1HB PHE 32 1.407 9.547 -0.997 280 2HB PHE 32 2HB PHE 32 1.029 10.278 0.563 281 HD1 PHE 32 HD1 PHE 32 0.489 10.556 -3.103 282 HD2 PHE 32 HD2 PHE 32 -0.737 11.876 0.797 283 HE1 PHE 32 HE1 PHE 32 -1.501 11.652 -4.099 284 HE2 PHE 32 HE2 PHE 32 -2.726 12.972 -0.200 285 HZ PHE 32 HZ PHE 32 -3.107 12.860 -2.649 286 H VAL 33 H VAL 33 4.100 10.599 -2.377 287 HA VAL 33 HA VAL 33 2.969 12.337 -4.501 288 HB VAL 33 HB VAL 33 5.201 12.782 -5.308 289 1HG1 VAL 33 1HG1 VAL 33 4.937 13.181 -2.313 290 2HG1 VAL 33 2HG1 VAL 33 4.387 14.286 -3.574 291 3HG1 VAL 33 3HG1 VAL 33 6.113 14.014 -3.331 292 1HG2 VAL 33 1HG2 VAL 33 5.975 10.811 -3.153 293 2HG2 VAL 33 2HG2 VAL 33 7.136 11.977 -3.787 294 3HG2 VAL 33 3HG2 VAL 33 6.404 10.789 -4.864 295 H PHE 34 H PHE 34 2.413 11.333 -6.299 296 HA PHE 34 HA PHE 34 3.654 8.730 -6.940 297 1HB PHE 34 1HB PHE 34 1.529 7.835 -7.615 298 2HB PHE 34 2HB PHE 34 1.337 8.476 -5.981 299 HD1 PHE 34 HD1 PHE 34 -0.009 8.459 -9.248 300 HD2 PHE 34 HD2 PHE 34 0.624 11.013 -5.854 301 HE1 PHE 34 HE1 PHE 34 -1.818 9.963 -10.042 302 HE2 PHE 34 HE2 PHE 34 -1.183 12.519 -6.646 303 HZ PHE 34 HZ PHE 34 -2.404 11.993 -8.741 304 H LYS 35 H LYS 35 4.745 10.886 -8.029 305 HA LYS 35 HA LYS 35 3.595 11.053 -10.757 306 1HB LYS 35 1HB LYS 35 3.688 13.179 -9.285 307 2HB LYS 35 2HB LYS 35 5.428 13.123 -9.561 308 1HG LYS 35 1HG LYS 35 5.078 13.179 -11.983 309 2HG LYS 35 2HG LYS 35 3.331 13.148 -11.753 310 1HD LYS 35 1HD LYS 35 4.911 15.302 -10.387 311 2HD LYS 35 2HD LYS 35 4.608 15.451 -12.117 312 1HE LYS 35 1HE LYS 35 2.289 15.578 -11.836 313 2HE LYS 35 2HE LYS 35 2.336 14.793 -10.259 314 1HZ LYS 35 1HZ LYS 35 2.321 16.812 -9.380 315 2HZ LYS 35 2HZ LYS 35 2.521 17.554 -10.895 316 3HZ LYS 35 3HZ LYS 35 3.879 17.055 -10.005 317 H ASN 36 H ASN 36 5.207 8.919 -10.106 318 HA ASN 36 HA ASN 36 7.394 9.289 -11.959 319 1HB ASN 36 1HB ASN 36 8.007 8.536 -9.091 320 2HB ASN 36 2HB ASN 36 9.164 8.612 -10.418 321 1HD2 ASN 36 1HD2 ASN 36 7.669 10.456 -7.931 322 2HD2 ASN 36 2HD2 ASN 36 8.218 11.984 -8.430 323 H ASN 37 H ASN 37 4.916 7.658 -11.451 324 HA ASN 37 HA ASN 37 4.265 5.533 -12.060 325 1HB ASN 37 1HB ASN 37 6.560 5.670 -13.367 326 2HB ASN 37 2HB ASN 37 7.093 4.546 -12.119 327 1HD2 ASN 37 1HD2 ASN 37 5.444 4.761 -15.113 328 2HD2 ASN 37 2HD2 ASN 37 4.795 3.193 -15.128 329 H VAL 38 H VAL 38 6.232 6.346 -9.469 330 HA VAL 38 HA VAL 38 5.521 3.858 -8.022 331 HB VAL 38 HB VAL 38 7.803 5.658 -7.231 332 1HG1 VAL 38 1HG1 VAL 38 7.093 2.743 -6.796 333 2HG1 VAL 38 2HG1 VAL 38 7.149 4.020 -5.582 334 3HG1 VAL 38 3HG1 VAL 38 8.640 3.450 -6.332 335 1HG2 VAL 38 1HG2 VAL 38 9.212 3.877 -8.493 336 2HG2 VAL 38 2HG2 VAL 38 8.446 5.149 -9.444 337 3HG2 VAL 38 3HG2 VAL 38 7.726 3.540 -9.380 338 H LEU 39 H LEU 39 5.376 4.243 -5.593 339 HA LEU 39 HA LEU 39 4.207 6.901 -5.035 340 1HB LEU 39 1HB LEU 39 3.082 4.205 -4.253 341 2HB LEU 39 2HB LEU 39 2.501 5.747 -3.629 342 HG LEU 39 HG LEU 39 2.263 6.427 -6.116 343 1HD1 LEU 39 1HD1 LEU 39 2.826 4.915 -7.668 344 2HD1 LEU 39 2HD1 LEU 39 1.605 3.814 -7.037 345 3HD1 LEU 39 3HD1 LEU 39 3.251 3.754 -6.414 346 1HD2 LEU 39 1HD2 LEU 39 0.299 6.166 -4.794 347 2HD2 LEU 39 2HD2 LEU 39 0.496 4.415 -4.716 348 3HD2 LEU 39 3HD2 LEU 39 0.029 5.183 -6.234 349 H LEU 40 H LEU 40 5.110 7.873 -3.372 350 HA LEU 40 HA LEU 40 6.412 6.229 -1.285 351 1HB LEU 40 1HB LEU 40 7.538 8.239 -2.966 352 2HB LEU 40 2HB LEU 40 7.449 8.921 -1.345 353 HG LEU 40 HG LEU 40 8.549 6.143 -1.800 354 1HD1 LEU 40 1HD1 LEU 40 10.823 7.332 -1.697 355 2HD1 LEU 40 2HD1 LEU 40 9.945 8.806 -2.105 356 3HD1 LEU 40 3HD1 LEU 40 9.943 7.441 -3.221 357 1HD2 LEU 40 1HD2 LEU 40 9.442 8.119 0.283 358 2HD2 LEU 40 2HD2 LEU 40 9.390 6.359 0.366 359 3HD2 LEU 40 3HD2 LEU 40 7.900 7.290 0.501 360 H ILE 41 H ILE 41 6.167 6.921 0.860 361 HA ILE 41 HA ILE 41 4.321 9.171 1.347 362 HB ILE 41 HB ILE 41 3.880 6.334 2.310 363 1HG1 ILE 41 1HG1 ILE 41 2.057 8.196 0.760 364 2HG1 ILE 41 2HG1 ILE 41 3.073 6.974 -0.002 365 1HG2 ILE 41 1HG2 ILE 41 1.833 7.431 3.402 366 2HG2 ILE 41 2HG2 ILE 41 2.660 8.968 3.153 367 3HG2 ILE 41 3HG2 ILE 41 3.388 7.731 4.176 368 1HD1 ILE 41 1HD1 ILE 41 1.966 5.233 1.400 369 2HD1 ILE 41 2HD1 ILE 41 0.838 6.058 0.324 370 3HD1 ILE 41 3HD1 ILE 41 0.888 6.475 2.037 371 H LEU 42 H LEU 42 4.736 10.263 3.199 372 HA LEU 42 HA LEU 42 7.188 9.883 4.550 373 1HB LEU 42 1HB LEU 42 4.759 11.584 5.025 374 2HB LEU 42 2HB LEU 42 6.023 11.505 6.250 375 HG LEU 42 HG LEU 42 6.264 13.390 4.565 376 1HD1 LEU 42 1HD1 LEU 42 8.167 12.102 5.895 377 2HD1 LEU 42 2HD1 LEU 42 8.575 13.302 4.671 378 3HD1 LEU 42 3HD1 LEU 42 8.642 11.587 4.276 379 1HD2 LEU 42 1HD2 LEU 42 7.203 11.230 2.674 380 2HD2 LEU 42 2HD2 LEU 42 6.868 12.925 2.324 381 3HD2 LEU 42 3HD2 LEU 42 5.540 11.813 2.647 382 H LEU 43 H LEU 43 7.726 8.749 6.308 383 HA LEU 43 HA LEU 43 5.713 7.785 8.176 384 1HB LEU 43 1HB LEU 43 5.910 6.135 6.204 385 2HB LEU 43 2HB LEU 43 7.507 5.763 6.846 386 HG LEU 43 HG LEU 43 6.375 5.336 9.090 387 1HD1 LEU 43 1HD1 LEU 43 3.875 4.603 8.619 388 2HD1 LEU 43 2HD1 LEU 43 3.986 5.793 7.324 389 3HD1 LEU 43 3HD1 LEU 43 4.248 6.283 8.997 390 1HD2 LEU 43 1HD2 LEU 43 5.369 3.507 6.903 391 2HD2 LEU 43 2HD2 LEU 43 5.904 3.075 8.526 392 3HD2 LEU 43 3HD2 LEU 43 7.080 3.594 7.320 393 H GLU 44 H GLU 44 6.625 8.479 10.022 394 HA GLU 44 HA GLU 44 9.528 8.429 10.353 395 1HB GLU 44 1HB GLU 44 7.296 9.512 12.078 396 2HB GLU 44 2HB GLU 44 9.005 9.597 12.507 397 1HG GLU 44 1HG GLU 44 9.491 10.888 10.500 398 2HG GLU 44 2HG GLU 44 7.825 10.717 9.949 399 H ASN 45 H ASN 45 6.725 7.309 12.280 400 HA ASN 45 HA ASN 45 7.872 5.916 14.275 401 1HB ASN 45 1HB ASN 45 5.499 5.261 12.562 402 2HB ASN 45 2HB ASN 45 6.010 4.124 13.807 403 1HD2 ASN 45 1HD2 ASN 45 4.863 7.468 13.300 404 2HD2 ASN 45 2HD2 ASN 45 4.373 7.711 14.907 405 H GLU 46 H GLU 46 9.922 5.138 13.765 406 HA GLU 46 HA GLU 46 10.843 3.595 11.734 407 1HB GLU 46 1HB GLU 46 12.344 4.219 13.478 408 2HB GLU 46 2HB GLU 46 11.404 3.352 14.692 409 1HG GLU 46 1HG GLU 46 12.054 1.233 13.842 410 2HG GLU 46 2HG GLU 46 12.641 1.930 12.332 411 H PHE 47 H PHE 47 8.561 2.616 14.181 412 HA PHE 47 HA PHE 47 8.814 -0.199 13.776 413 1HB PHE 47 1HB PHE 47 7.731 1.058 15.759 414 2HB PHE 47 2HB PHE 47 6.305 1.173 14.727 415 HD1 PHE 47 HD1 PHE 47 8.733 -1.249 16.196 416 HD2 PHE 47 HD2 PHE 47 4.852 -0.674 14.452 417 HE1 PHE 47 HE1 PHE 47 8.128 -3.583 16.777 418 HE2 PHE 47 HE2 PHE 47 4.244 -3.008 15.032 419 HZ PHE 47 HZ PHE 47 5.883 -4.464 16.194 420 H ALA 48 H ALA 48 5.992 1.834 13.027 421 HA ALA 48 HA ALA 48 4.611 0.257 11.347 422 1HB ALA 48 1HB ALA 48 5.133 3.218 11.162 423 2HB ALA 48 2HB ALA 48 3.715 2.391 11.805 424 3HB ALA 48 3HB ALA 48 4.017 2.401 10.068 425 H ARG 49 H ARG 49 7.655 1.837 10.562 426 HA ARG 49 HA ARG 49 7.459 1.182 7.737 427 1HB ARG 49 1HB ARG 49 10.154 1.803 8.656 428 2HB ARG 49 2HB ARG 49 9.148 2.659 7.494 429 1HG ARG 49 1HG ARG 49 7.893 3.624 9.493 430 2HG ARG 49 2HG ARG 49 9.177 2.959 10.491 431 1HD ARG 49 1HD ARG 49 9.683 4.816 8.160 432 2HD ARG 49 2HD ARG 49 9.516 5.370 9.822 433 HE ARG 49 HE ARG 49 11.599 4.398 10.326 434 1HH1 ARG 49 1HH1 ARG 49 10.532 3.683 7.111 435 2HH1 ARG 49 2HH1 ARG 49 12.062 3.059 6.595 436 1HH2 ARG 49 1HH2 ARG 49 13.606 3.580 9.655 437 2HH2 ARG 49 2HH2 ARG 49 13.801 3.000 8.034 438 H ASN 50 H ASN 50 8.882 -0.146 10.634 439 HA ASN 50 HA ASN 50 10.728 -1.921 9.589 440 1HB ASN 50 1HB ASN 50 10.357 -1.427 12.001 441 2HB ASN 50 2HB ASN 50 8.913 -2.437 11.948 442 1HD2 ASN 50 1HD2 ASN 50 9.200 -4.756 11.774 443 2HD2 ASN 50 2HD2 ASN 50 10.721 -5.485 11.961 444 H SER 51 H SER 51 7.269 -2.319 10.192 445 HA SER 51 HA SER 51 7.156 -5.016 9.084 446 1HB SER 51 1HB SER 51 5.781 -3.745 11.049 447 2HB SER 51 2HB SER 51 4.655 -3.595 9.706 448 HG SER 51 HG SER 51 4.185 -5.571 10.325 449 H LEU 52 H LEU 52 5.672 -1.852 8.322 450 HA LEU 52 HA LEU 52 4.151 -2.566 6.157 451 1HB LEU 52 1HB LEU 52 5.684 -0.050 6.747 452 2HB LEU 52 2HB LEU 52 4.745 -0.210 5.268 453 HG LEU 52 HG LEU 52 3.609 -0.695 8.037 454 1HD1 LEU 52 1HD1 LEU 52 3.386 1.748 6.252 455 2HD1 LEU 52 2HD1 LEU 52 4.281 1.661 7.766 456 3HD1 LEU 52 3HD1 LEU 52 2.527 1.509 7.773 457 1HD2 LEU 52 1HD2 LEU 52 2.561 -0.831 5.243 458 2HD2 LEU 52 2HD2 LEU 52 1.497 -0.110 6.448 459 3HD2 LEU 52 3HD2 LEU 52 2.087 -1.755 6.669 460 H ASN 53 H ASN 53 7.570 -1.510 5.996 461 HA ASN 53 HA ASN 53 7.750 -2.121 3.209 462 1HB ASN 53 1HB ASN 53 9.210 -0.427 4.199 463 2HB ASN 53 2HB ASN 53 9.929 -1.639 5.258 464 1HD2 ASN 53 1HD2 ASN 53 11.951 -2.228 4.477 465 2HD2 ASN 53 2HD2 ASN 53 12.343 -2.423 2.838 466 H ASP 54 H ASP 54 7.713 -4.078 5.947 467 HA ASP 54 HA ASP 54 9.540 -6.103 5.041 468 1HB ASP 54 1HB ASP 54 8.663 -5.702 7.444 469 2HB ASP 54 2HB ASP 54 7.238 -6.595 6.922 470 H ASN 55 H ASN 55 6.181 -5.318 4.617 471 HA ASN 55 HA ASN 55 5.930 -7.161 2.401 472 1HB ASN 55 1HB ASN 55 5.415 -8.493 4.541 473 2HB ASN 55 2HB ASN 55 3.965 -7.499 4.666 474 1HD2 ASN 55 1HD2 ASN 55 2.175 -8.385 3.640 475 2HD2 ASN 55 2HD2 ASN 55 2.236 -9.461 2.329 476 H SER 56 H SER 56 5.687 -5.025 1.441 477 HA SER 56 HA SER 56 3.088 -3.734 1.990 478 1HB SER 56 1HB SER 56 4.770 -2.113 2.221 479 2HB SER 56 2HB SER 56 5.684 -2.729 0.849 480 HG SER 56 HG SER 56 3.979 -0.781 0.817 481 H GLU 57 H GLU 57 2.571 -5.895 0.648 482 HA GLU 57 HA GLU 57 2.879 -5.687 -2.198 483 1HB GLU 57 1HB GLU 57 1.195 -7.420 -0.394 484 2HB GLU 57 2HB GLU 57 1.060 -7.497 -2.151 485 1HG GLU 57 1HG GLU 57 2.669 -9.172 -1.186 486 2HG GLU 57 2HG GLU 57 3.396 -8.087 -2.369 487 H ILE 58 H ILE 58 1.735 -3.345 -0.868 488 HA ILE 58 HA ILE 58 -1.032 -3.127 -1.179 489 HB ILE 58 HB ILE 58 1.114 -1.015 -1.496 490 1HG1 ILE 58 1HG1 ILE 58 -0.690 -1.728 0.839 491 2HG1 ILE 58 2HG1 ILE 58 1.003 -2.202 0.702 492 1HG2 ILE 58 1HG2 ILE 58 -0.913 -0.208 -2.540 493 2HG2 ILE 58 2HG2 ILE 58 -0.800 0.547 -0.952 494 3HG2 ILE 58 3HG2 ILE 58 -1.897 -0.809 -1.206 495 1HD1 ILE 58 1HD1 ILE 58 1.626 0.210 0.544 496 2HD1 ILE 58 2HD1 ILE 58 0.842 -0.190 2.072 497 3HD1 ILE 58 3HD1 ILE 58 -0.067 0.634 0.804 498 H ILE 59 H ILE 59 1.430 -3.377 -3.565 499 HA ILE 59 HA ILE 59 0.100 -2.046 -5.709 500 HB ILE 59 HB ILE 59 2.427 -2.448 -5.973 501 1HG1 ILE 59 1HG1 ILE 59 1.255 -4.643 -7.685 502 2HG1 ILE 59 2HG1 ILE 59 0.833 -2.954 -7.972 503 1HG2 ILE 59 1HG2 ILE 59 2.829 -4.215 -4.431 504 2HG2 ILE 59 2HG2 ILE 59 3.267 -4.870 -6.009 505 3HG2 ILE 59 3HG2 ILE 59 1.725 -5.303 -5.272 506 1HD1 ILE 59 1HD1 ILE 59 2.733 -3.551 -9.381 507 2HD1 ILE 59 2HD1 ILE 59 3.627 -4.136 -7.979 508 3HD1 ILE 59 3HD1 ILE 59 3.269 -2.418 -8.142 509 H HIS 60 H HIS 60 -0.840 -4.561 -3.914 510 HA HIS 60 HA HIS 60 -1.934 -6.417 -5.863 511 1HB HIS 60 1HB HIS 60 -2.140 -6.021 -2.893 512 2HB HIS 60 2HB HIS 60 -3.236 -7.114 -3.733 513 HD1 HIS 60 HD1 HIS 60 -1.899 -8.972 -2.250 514 HD2 HIS 60 HD2 HIS 60 0.249 -7.174 -5.338 515 HE1 HIS 60 HE1 HIS 60 0.105 -10.458 -2.687 516 HE2 HIS 60 HE2 HIS 60 1.426 -9.374 -4.566 517 H LEU 61 H LEU 61 -3.027 -3.450 -4.339 518 HA LEU 61 HA LEU 61 -5.661 -3.858 -5.636 519 1HB LEU 61 1HB LEU 61 -5.598 -1.949 -3.407 520 2HB LEU 61 2HB LEU 61 -6.736 -3.245 -3.754 521 HG LEU 61 HG LEU 61 -4.868 -4.854 -3.005 522 1HD1 LEU 61 1HD1 LEU 61 -3.607 -3.255 -1.106 523 2HD1 LEU 61 2HD1 LEU 61 -3.603 -2.242 -2.548 524 3HD1 LEU 61 3HD1 LEU 61 -2.880 -3.847 -2.598 525 1HD2 LEU 61 1HD2 LEU 61 -6.068 -2.974 -0.948 526 2HD2 LEU 61 2HD2 LEU 61 -5.539 -4.635 -0.670 527 3HD2 LEU 61 3HD2 LEU 61 -6.929 -4.314 -1.705 528 H ALA 62 H ALA 62 -3.170 -1.526 -4.713 529 HA ALA 62 HA ALA 62 -4.207 0.821 -5.716 530 1HB ALA 62 1HB ALA 62 -2.073 0.768 -4.570 531 2HB ALA 62 2HB ALA 62 -1.845 1.478 -6.168 532 3HB ALA 62 3HB ALA 62 -1.360 -0.191 -5.867 533 H GLU 63 H GLU 63 -2.938 -1.929 -7.489 534 HA GLU 63 HA GLU 63 -2.676 -0.594 -9.986 535 1HB GLU 63 1HB GLU 63 -2.589 -2.924 -10.917 536 2HB GLU 63 2HB GLU 63 -1.452 -2.639 -9.596 537 1HG GLU 63 1HG GLU 63 -2.971 -3.686 -8.005 538 2HG GLU 63 2HG GLU 63 -4.194 -3.881 -9.259 539 H SER 64 H SER 64 -5.250 -0.121 -8.713 540 HA SER 64 HA SER 64 -6.984 -1.127 -10.884 541 1HB SER 64 1HB SER 64 -7.901 -0.746 -8.028 542 2HB SER 64 2HB SER 64 -8.811 -1.454 -9.360 543 HG SER 64 HG SER 64 -7.276 -3.136 -9.411 544 H LEU 65 H LEU 65 -6.575 1.334 -8.345 545 HA LEU 65 HA LEU 65 -8.519 3.129 -9.298 546 1HB LEU 65 1HB LEU 65 -6.765 3.039 -7.160 547 2HB LEU 65 2HB LEU 65 -6.145 4.388 -8.094 548 HG LEU 65 HG LEU 65 -7.811 5.133 -6.437 549 1HD1 LEU 65 1HD1 LEU 65 -9.323 6.349 -8.002 550 2HD1 LEU 65 2HD1 LEU 65 -8.740 5.334 -9.316 551 3HD1 LEU 65 3HD1 LEU 65 -7.633 6.426 -8.489 552 1HD2 LEU 65 1HD2 LEU 65 -9.821 4.125 -6.128 553 2HD2 LEU 65 2HD2 LEU 65 -9.123 2.781 -7.026 554 3HD2 LEU 65 3HD2 LEU 65 -10.121 3.973 -7.857 555 H TYR 66 H TYR 66 -5.371 2.321 -10.417 556 HA TYR 66 HA TYR 66 -5.639 3.492 -12.915 557 1HB TYR 66 1HB TYR 66 -3.917 5.339 -12.739 558 2HB TYR 66 2HB TYR 66 -5.482 5.694 -12.018 559 HD1 TYR 66 HD1 TYR 66 -1.949 4.841 -11.313 560 HD2 TYR 66 HD2 TYR 66 -5.741 5.946 -9.640 561 HE1 TYR 66 HE1 TYR 66 -0.852 5.309 -9.139 562 HE2 TYR 66 HE2 TYR 66 -4.650 6.407 -7.459 563 HH TYR 66 HH TYR 66 -2.746 6.437 -6.331 564 H GLU 67 H GLU 67 -4.552 1.991 -13.966 565 HA GLU 67 HA GLU 67 -2.528 0.380 -12.933 566 1HB GLU 67 1HB GLU 67 -3.987 0.470 -15.271 567 2HB GLU 67 2HB GLU 67 -2.356 0.827 -15.836 568 1HG GLU 67 1HG GLU 67 -1.528 -1.181 -14.619 569 2HG GLU 67 2HG GLU 67 -3.188 -1.555 -14.154 570 H GLY 68 H GLY 68 -0.267 0.236 -13.751 571 1HA GLY 68 1HA GLY 68 1.648 1.381 -14.722 572 2HA GLY 68 2HA GLY 68 0.939 2.904 -14.194 573 H ILE 69 H ILE 69 0.341 0.768 -11.763 574 HA ILE 69 HA ILE 69 2.197 1.965 -9.981 575 HB ILE 69 HB ILE 69 0.730 -0.646 -9.573 576 1HG1 ILE 69 1HG1 ILE 69 -0.715 1.352 -10.322 577 2HG1 ILE 69 2HG1 ILE 69 -1.164 0.565 -8.814 578 1HG2 ILE 69 1HG2 ILE 69 1.950 1.419 -7.731 579 2HG2 ILE 69 2HG2 ILE 69 2.346 -0.294 -7.854 580 3HG2 ILE 69 3HG2 ILE 69 0.800 0.206 -7.170 581 1HD1 ILE 69 1HD1 ILE 69 -0.084 2.302 -7.513 582 2HD1 ILE 69 2HD1 ILE 69 -1.167 3.063 -8.672 583 3HD1 ILE 69 3HD1 ILE 69 0.567 3.047 -8.973 584 H LYS 70 H LYS 70 4.240 1.490 -9.553 585 HA LYS 70 HA LYS 70 5.413 -0.945 -10.730 586 1HB LYS 70 1HB LYS 70 6.350 1.422 -11.142 587 2HB LYS 70 2HB LYS 70 6.932 1.342 -9.481 588 1HG LYS 70 1HG LYS 70 7.539 -1.016 -11.210 589 2HG LYS 70 2HG LYS 70 8.397 0.474 -11.587 590 1HD LYS 70 1HD LYS 70 8.261 -0.429 -8.725 591 2HD LYS 70 2HD LYS 70 9.393 -1.220 -9.819 592 1HE LYS 70 1HE LYS 70 9.253 1.788 -9.628 593 2HE LYS 70 2HE LYS 70 10.241 0.845 -8.512 594 1HZ LYS 70 1HZ LYS 70 10.462 0.354 -11.401 595 2HZ LYS 70 2HZ LYS 70 11.622 0.139 -10.177 596 3HZ LYS 70 3HZ LYS 70 11.246 1.700 -10.730 597 H SER 71 H SER 71 4.806 0.732 -7.733 598 HA SER 71 HA SER 71 4.863 -1.503 -6.090 599 1HB SER 71 1HB SER 71 7.157 -1.885 -6.358 600 2HB SER 71 2HB SER 71 7.533 -0.167 -6.438 601 HG SER 71 HG SER 71 6.722 -1.681 -4.180 602 H VAL 72 H VAL 72 5.693 -0.609 -3.697 603 HA VAL 72 HA VAL 72 4.780 2.141 -3.288 604 HB VAL 72 HB VAL 72 3.471 -0.166 -1.827 605 1HG1 VAL 72 1HG1 VAL 72 1.857 1.717 -1.232 606 2HG1 VAL 72 2HG1 VAL 72 3.052 2.832 -1.893 607 3HG1 VAL 72 3HG1 VAL 72 3.458 1.829 -0.500 608 1HG2 VAL 72 1HG2 VAL 72 1.438 0.535 -3.179 609 2HG2 VAL 72 2HG2 VAL 72 2.702 -0.267 -4.109 610 3HG2 VAL 72 3HG2 VAL 72 2.526 1.486 -4.187 611 H ASN 73 H ASN 73 5.552 3.062 -1.396 612 HA ASN 73 HA ASN 73 6.881 1.483 0.621 613 1HB ASN 73 1HB ASN 73 8.492 1.534 -1.350 614 2HB ASN 73 2HB ASN 73 8.648 3.264 -1.048 615 1HD2 ASN 73 1HD2 ASN 73 10.726 3.393 -0.113 616 2HD2 ASN 73 2HD2 ASN 73 11.193 2.533 1.274 617 H PHE 74 H PHE 74 7.757 2.693 2.324 618 HA PHE 74 HA PHE 74 7.099 5.557 2.452 619 1HB PHE 74 1HB PHE 74 6.454 4.234 4.960 620 2HB PHE 74 2HB PHE 74 5.447 5.299 3.978 621 HD1 PHE 74 HD1 PHE 74 3.429 4.354 3.283 622 HD2 PHE 74 HD2 PHE 74 6.893 1.841 3.662 623 HE1 PHE 74 HE1 PHE 74 2.095 2.403 2.538 624 HE2 PHE 74 HE2 PHE 74 5.559 -0.107 2.919 625 HZ PHE 74 HZ PHE 74 3.160 0.170 2.355 626 H VAL 75 H VAL 75 8.488 6.712 3.808 627 HA VAL 75 HA VAL 75 10.431 5.208 5.411 628 HB VAL 75 HB VAL 75 12.345 6.316 4.343 629 1HG1 VAL 75 1HG1 VAL 75 12.405 4.951 2.376 630 2HG1 VAL 75 2HG1 VAL 75 10.648 4.967 2.231 631 3HG1 VAL 75 3HG1 VAL 75 11.417 4.080 3.548 632 1HG2 VAL 75 1HG2 VAL 75 10.211 7.377 2.464 633 2HG2 VAL 75 2HG2 VAL 75 11.945 7.483 2.157 634 3HG2 VAL 75 3HG2 VAL 75 11.238 8.332 3.532 635 H ASN 76 H ASN 76 12.223 7.337 5.821 636 HA ASN 76 HA ASN 76 10.565 9.040 7.540 637 1HB ASN 76 1HB ASN 76 13.562 9.113 7.503 638 2HB ASN 76 2HB ASN 76 12.454 9.388 8.846 639 1HD2 ASN 76 1HD2 ASN 76 12.275 7.659 10.272 640 2HD2 ASN 76 2HD2 ASN 76 12.623 6.042 9.888 641 H GLU 77 H GLU 77 11.090 11.330 7.721 642 HA GLU 77 HA GLU 77 10.654 12.850 5.564 643 1HB GLU 77 1HB GLU 77 12.517 13.529 7.846 644 2HB GLU 77 2HB GLU 77 11.866 14.706 6.704 645 1HG GLU 77 1HG GLU 77 9.547 13.823 7.355 646 2HG GLU 77 2HG GLU 77 10.351 13.016 8.700 647 H GLN 78 H GLN 78 14.016 12.681 6.759 648 HA GLN 78 HA GLN 78 15.246 13.720 4.529 649 1HB GLN 78 1HB GLN 78 16.225 11.618 6.469 650 2HB GLN 78 2HB GLN 78 17.258 12.355 5.244 651 1HG GLN 78 1HG GLN 78 16.835 14.575 6.173 652 2HG GLN 78 2HG GLN 78 15.712 13.895 7.349 653 1HE2 GLN 78 1HE2 GLN 78 16.841 14.201 9.310 654 2HE2 GLN 78 2HE2 GLN 78 18.403 13.604 9.604 655 H ASP 79 H ASP 79 14.709 10.259 5.200 656 HA ASP 79 HA ASP 79 15.779 9.194 2.881 657 1HB ASP 79 1HB ASP 79 13.392 8.327 4.510 658 2HB ASP 79 2HB ASP 79 14.027 7.376 3.168 659 H PHE 80 H PHE 80 12.275 9.813 3.339 660 HA PHE 80 HA PHE 80 11.362 9.466 0.800 661 1HB PHE 80 1HB PHE 80 9.744 10.022 2.412 662 2HB PHE 80 2HB PHE 80 10.609 11.471 2.919 663 HD1 PHE 80 HD1 PHE 80 8.226 10.058 0.550 664 HD2 PHE 80 HD2 PHE 80 10.663 13.483 1.429 665 HE1 PHE 80 HE1 PHE 80 6.900 11.411 -1.047 666 HE2 PHE 80 HE2 PHE 80 9.338 14.835 -0.169 667 HZ PHE 80 HZ PHE 80 7.455 13.800 -1.408 668 H PHE 81 H PHE 81 12.820 12.445 2.094 669 HA PHE 81 HA PHE 81 12.627 14.021 -0.200 670 1HB PHE 81 1HB PHE 81 13.550 14.484 2.272 671 2HB PHE 81 2HB PHE 81 15.095 14.279 1.445 672 HD1 PHE 81 HD1 PHE 81 11.794 16.013 1.047 673 HD2 PHE 81 HD2 PHE 81 16.023 16.102 0.295 674 HE1 PHE 81 HE1 PHE 81 11.573 18.285 0.080 675 HE2 PHE 81 HE2 PHE 81 15.802 18.377 -0.670 676 HZ PHE 81 HZ PHE 81 13.577 19.468 -0.777 677 H PHE 82 H PHE 82 15.602 12.401 0.930 678 HA PHE 82 HA PHE 82 17.333 12.629 -1.053 679 1HB PHE 82 1HB PHE 82 17.580 11.079 0.893 680 2HB PHE 82 2HB PHE 82 16.603 9.897 0.021 681 HD1 PHE 82 HD1 PHE 82 17.429 8.872 -2.070 682 HD2 PHE 82 HD2 PHE 82 19.855 11.568 0.230 683 HE1 PHE 82 HE1 PHE 82 19.440 8.120 -3.310 684 HE2 PHE 82 HE2 PHE 82 21.867 10.817 -1.010 685 HZ PHE 82 HZ PHE 82 21.660 9.092 -2.780 686 H ASN 83 H ASN 83 14.456 10.563 -1.276 687 HA ASN 83 HA ASN 83 15.077 9.626 -3.922 688 1HB ASN 83 1HB ASN 83 13.056 9.147 -1.909 689 2HB ASN 83 2HB ASN 83 12.295 9.387 -3.480 690 1HD2 ASN 83 1HD2 ASN 83 13.722 7.036 -1.527 691 2HD2 ASN 83 2HD2 ASN 83 14.093 5.898 -2.731 692 H LEU 84 H LEU 84 12.774 11.999 -2.599 693 HA LEU 84 HA LEU 84 11.915 12.899 -5.188 694 1HB LEU 84 1HB LEU 84 10.394 13.084 -3.313 695 2HB LEU 84 2HB LEU 84 11.564 14.034 -2.401 696 HG LEU 84 HG LEU 84 11.406 15.855 -4.033 697 1HD1 LEU 84 1HD1 LEU 84 9.469 15.585 -5.754 698 2HD1 LEU 84 2HD1 LEU 84 9.666 13.855 -5.477 699 3HD1 LEU 84 3HD1 LEU 84 11.008 14.806 -6.111 700 1HD2 LEU 84 1HD2 LEU 84 8.717 14.814 -3.093 701 2HD2 LEU 84 2HD2 LEU 84 9.007 16.456 -3.667 702 3HD2 LEU 84 3HD2 LEU 84 9.799 15.882 -2.200 703 H ALA 85 H ALA 85 14.588 13.562 -3.150 704 HA ALA 85 HA ALA 85 15.073 16.239 -4.047 705 1HB ALA 85 1HB ALA 85 17.155 16.079 -2.861 706 2HB ALA 85 2HB ALA 85 17.078 14.317 -2.853 707 3HB ALA 85 3HB ALA 85 15.937 15.255 -1.889 708 H LYS 86 H LYS 86 15.615 13.114 -5.338 709 HA LYS 86 HA LYS 86 17.909 13.583 -6.919 710 1HB LYS 86 1HB LYS 86 17.038 11.333 -6.494 711 2HB LYS 86 2HB LYS 86 15.578 11.713 -7.406 712 1HG LYS 86 1HG LYS 86 17.920 12.352 -8.995 713 2HG LYS 86 2HG LYS 86 18.020 10.688 -8.427 714 1HD LYS 86 1HD LYS 86 15.488 11.772 -9.667 715 2HD LYS 86 2HD LYS 86 16.786 11.101 -10.654 716 1HE LYS 86 1HE LYS 86 15.636 9.576 -8.315 717 2HE LYS 86 2HE LYS 86 14.922 9.479 -9.924 718 1HZ LYS 86 1HZ LYS 86 17.067 8.041 -8.983 719 2HZ LYS 86 2HZ LYS 86 17.746 9.191 -10.035 720 3HZ LYS 86 3HZ LYS 86 16.536 8.136 -10.591 721 H LEU 87 H LEU 87 14.507 13.424 -8.013 722 HA LEU 87 HA LEU 87 14.721 14.308 -10.564 723 1HB LEU 87 1HB LEU 87 12.646 15.120 -8.520 724 2HB LEU 87 2HB LEU 87 12.483 15.392 -10.255 725 HG LEU 87 HG LEU 87 13.173 12.625 -9.340 726 1HD1 LEU 87 1HD1 LEU 87 10.762 12.119 -9.029 727 2HD1 LEU 87 2HD1 LEU 87 10.402 13.841 -9.162 728 3HD1 LEU 87 3HD1 LEU 87 11.366 13.243 -7.812 729 1HD2 LEU 87 1HD2 LEU 87 11.791 12.040 -11.289 730 2HD2 LEU 87 2HD2 LEU 87 13.007 13.233 -11.744 731 3HD2 LEU 87 3HD2 LEU 87 11.335 13.732 -11.489 732 H GLU 88 H GLU 88 13.388 16.809 -8.526 733 HA GLU 88 HA GLU 88 15.069 18.788 -9.864 734 1HB GLU 88 1HB GLU 88 12.772 19.110 -7.917 735 2HB GLU 88 2HB GLU 88 13.584 20.427 -8.764 736 1HG GLU 88 1HG GLU 88 12.997 19.224 -10.932 737 2HG GLU 88 2HG GLU 88 11.950 18.185 -9.967 738 H GLU 89 H GLU 89 15.394 20.769 -8.114 739 HA GLU 89 HA GLU 89 16.719 21.546 -6.409 740 1HB GLU 89 1HB GLU 89 16.206 18.907 -5.033 741 2HB GLU 89 2HB GLU 89 16.604 20.457 -4.291 742 1HG GLU 89 1HG GLU 89 14.473 21.397 -5.082 743 2HG GLU 89 2HG GLU 89 14.074 19.864 -5.857 744 H ASN 90 H ASN 90 18.595 21.503 -7.698 745 HA ASN 90 HA ASN 90 20.768 20.947 -8.191 746 1HB ASN 90 1HB ASN 90 20.778 20.877 -5.623 747 2HB ASN 90 2HB ASN 90 20.708 19.125 -5.791 748 1HD2 ASN 90 1HD2 ASN 90 22.542 21.719 -7.522 749 2HD2 ASN 90 2HD2 ASN 90 24.050 20.958 -7.348 750 H SER 91 H SER 91 22.242 18.680 -8.053 751 HA SER 91 HA SER 91 20.705 16.393 -8.955 752 1HB SER 91 1HB SER 91 21.978 16.325 -11.152 753 2HB SER 91 2HB SER 91 20.721 17.553 -11.038 754 HG SER 91 HG SER 91 23.001 18.108 -11.795 755 H ARG 92 H ARG 92 22.073 16.143 -6.813 756 HA ARG 92 HA ARG 92 23.866 15.187 -5.730 757 1HB ARG 92 1HB ARG 92 24.337 13.690 -8.303 758 2HB ARG 92 2HB ARG 92 24.586 13.134 -6.648 759 1HG ARG 92 1HG ARG 92 22.108 13.336 -6.275 760 2HG ARG 92 2HG ARG 92 21.928 13.697 -7.993 761 1HD ARG 92 1HD ARG 92 22.787 11.132 -6.683 762 2HD ARG 92 2HD ARG 92 21.575 11.385 -7.935 763 HE ARG 92 HE ARG 92 24.351 10.888 -8.358 764 1HH1 ARG 92 1HH1 ARG 92 21.639 12.712 -9.496 765 2HH1 ARG 92 2HH1 ARG 92 22.221 12.822 -11.124 766 1HH2 ARG 92 1HH2 ARG 92 25.120 11.029 -10.491 767 2HH2 ARG 92 2HH2 ARG 92 24.191 11.870 -11.687 768 H ASP 93 H ASP 93 24.683 17.581 -6.393 769 HA ASP 93 HA ASP 93 27.486 17.218 -7.006 770 1HB ASP 93 1HB ASP 93 25.711 18.830 -8.850 771 2HB ASP 93 2HB ASP 93 27.470 18.931 -8.835 772 H THR 94 H THR 94 28.251 18.237 -5.255 773 HA THR 94 HA THR 94 26.966 20.644 -4.238 774 HB THR 94 HB THR 94 27.774 18.997 -2.632 775 HG1 THR 94 HG1 THR 94 27.992 21.363 -2.312 776 1HG2 THR 94 1HG2 THR 94 29.801 18.494 -4.352 777 2HG2 THR 94 2HG2 THR 94 29.881 18.084 -2.639 778 3HG2 THR 94 3HG2 THR 94 30.632 19.567 -3.226 779 H LEU 95 H LEU 95 27.326 22.193 -5.831 780 HA LEU 95 HA LEU 95 29.731 22.733 -7.144 781 1HB LEU 95 1HB LEU 95 27.385 24.469 -6.392 782 2HB LEU 95 2HB LEU 95 28.771 25.125 -7.263 783 HG LEU 95 HG LEU 95 28.471 23.391 -9.013 784 1HD1 LEU 95 1HD1 LEU 95 26.153 22.228 -8.919 785 2HD1 LEU 95 2HD1 LEU 95 26.191 22.606 -7.197 786 3HD1 LEU 95 3HD1 LEU 95 27.440 21.578 -7.903 787 1HD2 LEU 95 1HD2 LEU 95 26.267 24.284 -9.889 788 2HD2 LEU 95 2HD2 LEU 95 27.420 25.529 -9.409 789 3HD2 LEU 95 3HD2 LEU 95 26.071 25.122 -8.348 790 H TYR 96 H TYR 96 28.415 24.697 -4.467 791 HA TYR 96 HA TYR 96 30.952 24.693 -3.079 792 1HB TYR 96 1HB TYR 96 31.016 26.461 -5.017 793 2HB TYR 96 2HB TYR 96 29.991 27.406 -3.938 794 HD1 TYR 96 HD1 TYR 96 33.340 26.582 -4.767 795 HD2 TYR 96 HD2 TYR 96 30.814 27.564 -1.433 796 HE1 TYR 96 HE1 TYR 96 35.334 27.249 -3.452 797 HE2 TYR 96 HE2 TYR 96 32.809 28.231 -0.120 798 HH TYR 96 HH TYR 96 35.898 27.396 -0.918 799 H GLN 97 H GLN 97 30.233 24.349 -1.073 800 HA GLN 97 HA GLN 97 28.548 26.287 0.223 801 1HB GLN 97 1HB GLN 97 26.813 24.971 -0.889 802 2HB GLN 97 2HB GLN 97 27.479 23.486 -0.210 803 1HG GLN 97 1HG GLN 97 26.787 25.693 1.691 804 2HG GLN 97 2HG GLN 97 25.458 24.785 0.972 805 1HE2 GLN 97 1HE2 GLN 97 26.802 24.804 3.804 806 2HE2 GLN 97 2HE2 GLN 97 27.025 23.153 4.126 807 H ASN 98 H ASN 98 30.836 23.859 0.182 808 HA ASN 98 HA ASN 98 30.723 22.648 2.677 809 1HB ASN 98 1HB ASN 98 32.350 22.068 0.904 810 2HB ASN 98 2HB ASN 98 33.210 23.572 1.222 811 1HD2 ASN 98 1HD2 ASN 98 35.070 23.056 2.389 812 2HD2 ASN 98 2HD2 ASN 98 35.123 21.976 3.698 813 H SER 99 H SER 99 33.584 24.421 2.734 814 HA SER 99 HA SER 99 32.739 26.732 4.173 815 1HB SER 99 1HB SER 99 32.248 24.879 5.830 816 2HB SER 99 2HB SER 99 33.981 24.569 5.880 817 HG SER 99 HG SER 99 34.137 26.909 6.357 818 H GLY 100 H GLY 100 35.184 26.302 5.986 819 1HA GLY 100 1HA GLY 100 37.436 26.778 5.953 820 2HA GLY 100 2HA GLY 100 37.480 26.094 4.331 Start of MODEL 3 1 H MET 1 H MET 1 -11.696 14.502 -6.219 2 HA MET 1 HA MET 1 -8.964 14.609 -5.115 3 1HB MET 1 1HB MET 1 -9.943 15.507 -3.023 4 2HB MET 1 2HB MET 1 -10.094 16.657 -4.352 5 1HG MET 1 1HG MET 1 -12.420 15.602 -4.750 6 2HG MET 1 2HG MET 1 -12.232 14.904 -3.141 7 1HE MET 1 1HE MET 1 -13.051 16.264 -0.971 8 2HE MET 1 2HE MET 1 -12.066 17.701 -0.716 9 3HE MET 1 3HE MET 1 -11.304 16.202 -1.240 10 H GLU 2 H GLU 2 -11.245 12.743 -6.198 11 HA GLU 2 HA GLU 2 -11.881 11.151 -3.856 12 1HB GLU 2 1HB GLU 2 -12.387 10.677 -6.804 13 2HB GLU 2 2HB GLU 2 -13.002 9.664 -5.496 14 1HG GLU 2 1HG GLU 2 -14.076 11.746 -4.528 15 2HG GLU 2 2HG GLU 2 -13.645 12.575 -6.024 16 H GLN 3 H GLN 3 -9.460 11.246 -6.324 17 HA GLN 3 HA GLN 3 -8.557 8.714 -6.663 18 1HB GLN 3 1HB GLN 3 -7.520 10.915 -7.467 19 2HB GLN 3 2HB GLN 3 -6.646 10.929 -5.936 20 1HG GLN 3 1HG GLN 3 -5.162 9.833 -7.401 21 2HG GLN 3 2HG GLN 3 -5.949 8.508 -6.548 22 1HE2 GLN 3 1HE2 GLN 3 -4.953 7.701 -8.911 23 2HE2 GLN 3 2HE2 GLN 3 -6.152 7.584 -10.109 24 H PHE 4 H PHE 4 -6.901 10.666 -4.218 25 HA PHE 4 HA PHE 4 -5.740 8.645 -2.764 26 1HB PHE 4 1HB PHE 4 -6.977 10.901 -1.233 27 2HB PHE 4 2HB PHE 4 -5.361 10.206 -1.099 28 HD1 PHE 4 HD1 PHE 4 -6.597 13.189 -1.661 29 HD2 PHE 4 HD2 PHE 4 -4.478 10.218 -3.930 30 HE1 PHE 4 HE1 PHE 4 -5.712 14.960 -3.155 31 HE2 PHE 4 HE2 PHE 4 -3.594 11.990 -5.422 32 HZ PHE 4 HZ PHE 4 -4.211 14.361 -5.036 33 H ASN 5 H ASN 5 -8.991 9.992 -2.271 34 HA ASN 5 HA ASN 5 -9.695 8.289 -0.126 35 1HB ASN 5 1HB ASN 5 -10.885 10.405 -0.828 36 2HB ASN 5 2HB ASN 5 -11.595 9.482 -2.152 37 1HD2 ASN 5 1HD2 ASN 5 -13.674 8.835 -1.603 38 2HD2 ASN 5 2HD2 ASN 5 -14.159 8.318 -0.060 39 H ALA 6 H ALA 6 -9.519 7.762 -3.558 40 HA ALA 6 HA ALA 6 -11.267 5.443 -3.526 41 1HB ALA 6 1HB ALA 6 -10.663 5.205 -5.871 42 2HB ALA 6 2HB ALA 6 -9.366 6.386 -5.688 43 3HB ALA 6 3HB ALA 6 -11.048 6.894 -5.535 44 H PHE 7 H PHE 7 -7.823 5.852 -4.396 45 HA PHE 7 HA PHE 7 -7.140 3.147 -4.284 46 1HB PHE 7 1HB PHE 7 -5.345 4.211 -5.171 47 2HB PHE 7 2HB PHE 7 -5.715 5.715 -4.346 48 HD1 PHE 7 HD1 PHE 7 -4.683 2.232 -3.369 49 HD2 PHE 7 HD2 PHE 7 -4.068 6.456 -2.879 50 HE1 PHE 7 HE1 PHE 7 -2.865 1.781 -1.745 51 HE2 PHE 7 HE2 PHE 7 -2.250 6.003 -1.255 52 HZ PHE 7 HZ PHE 7 -1.648 3.665 -0.688 53 H LYS 8 H LYS 8 -7.147 5.622 -1.767 54 HA LYS 8 HA LYS 8 -6.031 4.036 0.306 55 1HB LYS 8 1HB LYS 8 -6.165 6.508 0.345 56 2HB LYS 8 2HB LYS 8 -7.914 6.384 0.525 57 1HG LYS 8 1HG LYS 8 -7.637 5.150 2.629 58 2HG LYS 8 2HG LYS 8 -5.884 5.187 2.434 59 1HD LYS 8 1HD LYS 8 -6.202 7.011 3.845 60 2HD LYS 8 2HD LYS 8 -6.255 7.799 2.270 61 1HE LYS 8 1HE LYS 8 -8.452 7.318 4.224 62 2HE LYS 8 2HE LYS 8 -8.202 8.674 3.128 63 1HZ LYS 8 1HZ LYS 8 -10.114 7.125 2.622 64 2HZ LYS 8 2HZ LYS 8 -8.949 5.985 2.149 65 3HZ LYS 8 3HZ LYS 8 -9.062 7.473 1.340 66 H SER 9 H SER 9 -9.405 4.751 -0.632 67 HA SER 9 HA SER 9 -10.567 3.413 1.519 68 1HB SER 9 1HB SER 9 -12.581 3.171 -0.079 69 2HB SER 9 2HB SER 9 -12.015 4.807 0.247 70 HG SER 9 HG SER 9 -12.087 3.428 -2.080 71 H LEU 10 H LEU 10 -8.959 2.253 -1.280 72 HA LEU 10 HA LEU 10 -10.136 -0.339 -1.429 73 1HB LEU 10 1HB LEU 10 -8.490 1.004 -3.071 74 2HB LEU 10 2HB LEU 10 -7.277 0.069 -2.199 75 HG LEU 10 HG LEU 10 -9.673 -1.028 -3.701 76 1HD1 LEU 10 1HD1 LEU 10 -7.899 -0.435 -5.213 77 2HD1 LEU 10 2HD1 LEU 10 -7.816 -2.184 -4.991 78 3HD1 LEU 10 3HD1 LEU 10 -6.680 -1.132 -4.148 79 1HD2 LEU 10 1HD2 LEU 10 -8.436 -3.248 -3.103 80 2HD2 LEU 10 2HD2 LEU 10 -9.446 -2.495 -1.870 81 3HD2 LEU 10 3HD2 LEU 10 -7.694 -2.303 -1.813 82 H LEU 11 H LEU 11 -7.370 1.060 0.288 83 HA LEU 11 HA LEU 11 -6.329 -1.320 1.375 84 1HB LEU 11 1HB LEU 11 -6.292 1.564 2.242 85 2HB LEU 11 2HB LEU 11 -5.664 0.321 3.320 86 HG LEU 11 HG LEU 11 -4.757 0.302 0.463 87 1HD1 LEU 11 1HD1 LEU 11 -2.821 1.823 1.374 88 2HD1 LEU 11 2HD1 LEU 11 -4.028 2.352 2.546 89 3HD1 LEU 11 3HD1 LEU 11 -4.317 2.575 0.821 90 1HD2 LEU 11 1HD2 LEU 11 -4.169 -1.409 2.304 91 2HD2 LEU 11 2HD2 LEU 11 -3.183 -0.129 3.011 92 3HD2 LEU 11 3HD2 LEU 11 -2.824 -0.727 1.392 93 H LYS 12 H LYS 12 -8.822 0.916 2.576 94 HA LYS 12 HA LYS 12 -9.469 -0.068 5.024 95 1HB LYS 12 1HB LYS 12 -10.743 1.657 3.611 96 2HB LYS 12 2HB LYS 12 -11.623 0.284 2.940 97 1HG LYS 12 1HG LYS 12 -12.345 -0.387 5.182 98 2HG LYS 12 2HG LYS 12 -11.410 0.928 5.896 99 1HD LYS 12 1HD LYS 12 -12.779 2.549 4.551 100 2HD LYS 12 2HD LYS 12 -13.785 1.196 4.031 101 1HE LYS 12 1HE LYS 12 -13.312 1.964 6.926 102 2HE LYS 12 2HE LYS 12 -14.741 2.414 5.994 103 1HZ LYS 12 1HZ LYS 12 -14.953 0.360 7.391 104 2HZ LYS 12 2HZ LYS 12 -13.859 -0.395 6.333 105 3HZ LYS 12 3HZ LYS 12 -15.355 0.167 5.754 106 H LYS 13 H LYS 13 -10.673 -1.500 1.981 107 HA LYS 13 HA LYS 13 -11.979 -3.737 3.012 108 1HB LYS 13 1HB LYS 13 -10.626 -3.084 0.433 109 2HB LYS 13 2HB LYS 13 -11.043 -4.768 0.737 110 1HG LYS 13 1HG LYS 13 -13.079 -2.596 1.198 111 2HG LYS 13 2HG LYS 13 -12.804 -3.225 -0.425 112 1HD LYS 13 1HD LYS 13 -13.749 -5.258 0.052 113 2HD LYS 13 2HD LYS 13 -13.124 -5.278 1.700 114 1HE LYS 13 1HE LYS 13 -15.377 -3.463 0.811 115 2HE LYS 13 2HE LYS 13 -15.641 -5.055 1.522 116 1HZ LYS 13 1HZ LYS 13 -15.500 -4.060 3.483 117 2HZ LYS 13 2HZ LYS 13 -14.957 -2.603 2.796 118 3HZ LYS 13 3HZ LYS 13 -13.846 -3.828 3.185 119 H HIS 14 H HIS 14 -8.566 -3.293 2.189 120 HA HIS 14 HA HIS 14 -7.708 -5.941 2.822 121 1HB HIS 14 1HB HIS 14 -6.585 -3.887 1.507 122 2HB HIS 14 2HB HIS 14 -5.812 -3.668 3.075 123 HD1 HIS 14 HD1 HIS 14 -6.069 -6.082 0.207 124 HD2 HIS 14 HD2 HIS 14 -4.020 -5.755 3.821 125 HE1 HIS 14 HE1 HIS 14 -4.280 -7.875 0.181 126 HE2 HIS 14 HE2 HIS 14 -3.025 -7.690 2.379 127 H TYR 15 H TYR 15 -7.081 -2.880 4.548 128 HA TYR 15 HA TYR 15 -6.406 -4.313 6.978 129 1HB TYR 15 1HB TYR 15 -6.242 -1.490 5.996 130 2HB TYR 15 2HB TYR 15 -6.252 -1.764 7.736 131 HD1 TYR 15 HD1 TYR 15 -4.817 -4.055 5.167 132 HD2 TYR 15 HD2 TYR 15 -4.002 -1.195 8.268 133 HE1 TYR 15 HE1 TYR 15 -2.416 -4.666 5.103 134 HE2 TYR 15 HE2 TYR 15 -1.601 -1.808 8.202 135 HH TYR 15 HH TYR 15 -0.449 -4.516 6.282 136 H GLU 16 H GLU 16 -9.198 -4.399 5.949 137 HA GLU 16 HA GLU 16 -10.917 -2.704 7.335 138 1HB GLU 16 1HB GLU 16 -12.638 -4.311 6.927 139 2HB GLU 16 2HB GLU 16 -11.544 -4.371 5.546 140 1HG GLU 16 1HG GLU 16 -11.569 -6.288 7.895 141 2HG GLU 16 2HG GLU 16 -12.108 -6.641 6.257 142 H LYS 17 H LYS 17 -8.956 -5.298 8.519 143 HA LYS 17 HA LYS 17 -10.413 -5.374 11.079 144 1HB LYS 17 1HB LYS 17 -8.248 -7.108 9.881 145 2HB LYS 17 2HB LYS 17 -8.724 -7.229 11.574 146 1HG LYS 17 1HG LYS 17 -11.127 -7.512 10.717 147 2HG LYS 17 2HG LYS 17 -10.412 -7.756 9.125 148 1HD LYS 17 1HD LYS 17 -9.926 -9.409 11.615 149 2HD LYS 17 2HD LYS 17 -10.709 -9.932 10.125 150 1HE LYS 17 1HE LYS 17 -8.490 -9.305 8.959 151 2HE LYS 17 2HE LYS 17 -7.796 -9.292 10.580 152 1HZ LYS 17 1HZ LYS 17 -7.593 -11.453 9.449 153 2HZ LYS 17 2HZ LYS 17 -9.287 -11.575 9.408 154 3HZ LYS 17 3HZ LYS 17 -8.469 -11.552 10.898 155 H THR 18 H THR 18 -7.203 -4.733 9.721 156 HA THR 18 HA THR 18 -6.132 -3.900 12.283 157 HB THR 18 HB THR 18 -4.791 -3.403 9.639 158 HG1 THR 18 HG1 THR 18 -4.804 -5.865 11.032 159 1HG2 THR 18 1HG2 THR 18 -3.561 -4.502 12.149 160 2HG2 THR 18 2HG2 THR 18 -3.926 -2.781 12.040 161 3HG2 THR 18 3HG2 THR 18 -2.819 -3.522 10.885 162 H ILE 19 H ILE 19 -8.359 -2.378 11.748 163 HA ILE 19 HA ILE 19 -7.889 0.028 10.364 164 HB ILE 19 HB ILE 19 -10.134 -0.632 11.019 165 1HG1 ILE 19 1HG1 ILE 19 -9.795 1.792 12.718 166 2HG1 ILE 19 2HG1 ILE 19 -9.153 1.908 11.080 167 1HG2 ILE 19 1HG2 ILE 19 -9.162 -1.538 13.317 168 2HG2 ILE 19 2HG2 ILE 19 -10.833 -0.989 13.203 169 3HG2 ILE 19 3HG2 ILE 19 -9.603 0.072 13.887 170 1HD1 ILE 19 1HD1 ILE 19 -11.271 1.448 10.102 171 2HD1 ILE 19 2HD1 ILE 19 -11.605 2.595 11.399 172 3HD1 ILE 19 3HD1 ILE 19 -11.942 0.880 11.631 173 H GLY 20 H GLY 20 -7.896 -0.425 13.920 174 1HA GLY 20 1HA GLY 20 -7.020 1.834 14.946 175 2HA GLY 20 2HA GLY 20 -6.260 0.325 15.438 176 H PHE 21 H PHE 21 -4.576 -0.442 13.653 177 HA PHE 21 HA PHE 21 -2.350 1.157 13.765 178 1HB PHE 21 1HB PHE 21 -2.288 -1.169 12.957 179 2HB PHE 21 2HB PHE 21 -3.098 -0.673 11.470 180 HD1 PHE 21 HD1 PHE 21 -1.823 0.049 9.628 181 HD2 PHE 21 HD2 PHE 21 -0.083 0.096 13.557 182 HE1 PHE 21 HE1 PHE 21 0.368 0.684 8.653 183 HE2 PHE 21 HE2 PHE 21 2.105 0.731 12.579 184 HZ PHE 21 HZ PHE 21 2.329 1.024 10.128 185 H HIS 22 H HIS 22 -4.765 1.057 11.164 186 HA HIS 22 HA HIS 22 -3.580 3.132 9.621 187 1HB HIS 22 1HB HIS 22 -5.287 1.391 8.830 188 2HB HIS 22 2HB HIS 22 -6.509 2.364 9.644 189 HD1 HIS 22 HD1 HIS 22 -6.506 5.009 8.835 190 HD2 HIS 22 HD2 HIS 22 -4.798 2.223 6.245 191 HE1 HIS 22 HE1 HIS 22 -6.439 6.099 6.550 192 HE2 HIS 22 HE2 HIS 22 -5.394 4.415 4.961 193 H ASP 23 H ASP 23 -5.518 3.119 12.453 194 HA ASP 23 HA ASP 23 -6.376 5.886 12.161 195 1HB ASP 23 1HB ASP 23 -7.680 4.080 13.407 196 2HB ASP 23 2HB ASP 23 -6.458 4.206 14.670 197 H LYS 24 H LYS 24 -3.579 4.294 12.927 198 HA LYS 24 HA LYS 24 -2.564 6.202 14.909 199 1HB LYS 24 1HB LYS 24 -2.172 3.590 14.776 200 2HB LYS 24 2HB LYS 24 -0.897 4.061 13.654 201 1HG LYS 24 1HG LYS 24 0.272 4.152 15.656 202 2HG LYS 24 2HG LYS 24 -0.312 5.813 15.564 203 1HD LYS 24 1HD LYS 24 -2.365 4.987 16.877 204 2HD LYS 24 2HD LYS 24 -1.423 3.532 17.206 205 1HE LYS 24 1HE LYS 24 0.436 5.216 17.961 206 2HE LYS 24 2HE LYS 24 -0.902 6.359 18.093 207 1HZ LYS 24 1HZ LYS 24 -1.641 5.366 19.922 208 2HZ LYS 24 2HZ LYS 24 -0.157 4.539 19.976 209 3HZ LYS 24 3HZ LYS 24 -1.511 3.814 19.249 210 H TYR 25 H TYR 25 -1.124 4.884 11.908 211 HA TYR 25 HA TYR 25 0.032 7.574 11.467 212 1HB TYR 25 1HB TYR 25 1.050 5.004 10.265 213 2HB TYR 25 2HB TYR 25 1.889 6.549 10.420 214 HD1 TYR 25 HD1 TYR 25 1.167 3.385 11.986 215 HD2 TYR 25 HD2 TYR 25 2.385 7.429 12.773 216 HE1 TYR 25 HE1 TYR 25 2.041 2.692 14.200 217 HE2 TYR 25 HE2 TYR 25 3.259 6.734 14.987 218 HH TYR 25 HH TYR 25 2.523 3.743 16.397 219 H ILE 26 H ILE 26 -0.749 4.756 9.398 220 HA ILE 26 HA ILE 26 -0.968 5.991 6.987 221 HB ILE 26 HB ILE 26 -3.148 4.077 7.725 222 1HG1 ILE 26 1HG1 ILE 26 -1.250 3.165 8.932 223 2HG1 ILE 26 2HG1 ILE 26 -1.468 2.221 7.461 224 1HG2 ILE 26 1HG2 ILE 26 -2.709 3.211 5.513 225 2HG2 ILE 26 2HG2 ILE 26 -1.238 4.174 5.378 226 3HG2 ILE 26 3HG2 ILE 26 -2.813 4.967 5.396 227 1HD1 ILE 26 1HD1 ILE 26 0.828 2.618 7.427 228 2HD1 ILE 26 2HD1 ILE 26 0.665 4.229 8.118 229 3HD1 ILE 26 3HD1 ILE 26 0.232 3.945 6.434 230 H LYS 27 H LYS 27 -2.917 6.592 9.721 231 HA LYS 27 HA LYS 27 -5.353 7.318 9.362 232 1HB LYS 27 1HB LYS 27 -3.914 8.327 11.106 233 2HB LYS 27 2HB LYS 27 -3.333 9.496 9.921 234 1HG LYS 27 1HG LYS 27 -5.537 10.424 9.639 235 2HG LYS 27 2HG LYS 27 -6.266 9.122 10.579 236 1HD LYS 27 1HD LYS 27 -5.038 9.878 12.582 237 2HD LYS 27 2HD LYS 27 -4.313 11.184 11.643 238 1HE LYS 27 1HE LYS 27 -6.493 12.174 11.234 239 2HE LYS 27 2HE LYS 27 -7.298 10.809 12.009 240 1HZ LYS 27 1HZ LYS 27 -6.109 11.382 14.070 241 2HZ LYS 27 2HZ LYS 27 -7.150 12.619 13.549 242 3HZ LYS 27 3HZ LYS 27 -5.474 12.758 13.308 243 H ASP 28 H ASP 28 -3.726 10.224 8.460 244 HA ASP 28 HA ASP 28 -4.586 10.070 5.670 245 1HB ASP 28 1HB ASP 28 -5.933 12.076 5.786 246 2HB ASP 28 2HB ASP 28 -6.554 10.916 6.959 247 H ILE 29 H ILE 29 -2.024 10.042 6.406 248 HA ILE 29 HA ILE 29 -0.577 12.254 7.016 249 HB ILE 29 HB ILE 29 0.275 10.698 4.597 250 1HG1 ILE 29 1HG1 ILE 29 -0.063 9.628 7.412 251 2HG1 ILE 29 2HG1 ILE 29 -0.743 8.968 5.923 252 1HG2 ILE 29 1HG2 ILE 29 1.676 12.472 5.809 253 2HG2 ILE 29 2HG2 ILE 29 2.439 10.902 5.581 254 3HG2 ILE 29 3HG2 ILE 29 1.765 11.335 7.152 255 1HD1 ILE 29 1HD1 ILE 29 1.683 8.698 5.126 256 2HD1 ILE 29 2HD1 ILE 29 1.138 7.596 6.390 257 3HD1 ILE 29 3HD1 ILE 29 2.145 8.983 6.804 258 H ASN 30 H ASN 30 0.635 13.761 5.587 259 HA ASN 30 HA ASN 30 -1.020 14.689 3.312 260 1HB ASN 30 1HB ASN 30 0.301 16.303 5.499 261 2HB ASN 30 2HB ASN 30 -0.273 17.013 3.990 262 1HD2 ASN 30 1HD2 ASN 30 -1.402 15.138 6.836 263 2HD2 ASN 30 2HD2 ASN 30 -3.009 15.677 6.741 264 H ARG 31 H ARG 31 1.520 13.028 3.599 265 HA ARG 31 HA ARG 31 3.095 14.602 1.675 266 1HB ARG 31 1HB ARG 31 3.905 14.033 4.336 267 2HB ARG 31 2HB ARG 31 4.864 13.002 3.285 268 1HG ARG 31 1HG ARG 31 4.556 16.001 3.003 269 2HG ARG 31 2HG ARG 31 5.975 15.168 3.632 270 1HD ARG 31 1HD ARG 31 5.815 13.878 1.306 271 2HD ARG 31 2HD ARG 31 4.977 15.348 0.816 272 HE ARG 31 HE ARG 31 7.770 15.089 1.199 273 1HH1 ARG 31 1HH1 ARG 31 5.093 17.190 1.833 274 2HH1 ARG 31 2HH1 ARG 31 6.049 18.634 1.832 275 1HH2 ARG 31 1HH2 ARG 31 9.028 16.982 1.193 276 2HH2 ARG 31 2HH2 ARG 31 8.274 18.516 1.470 277 H PHE 32 H PHE 32 2.224 13.363 0.047 278 HA PHE 32 HA PHE 32 3.523 10.770 -0.376 279 1HB PHE 32 1HB PHE 32 1.424 9.686 -1.026 280 2HB PHE 32 2HB PHE 32 1.351 10.187 0.663 281 HD1 PHE 32 HD1 PHE 32 -0.012 10.660 -2.684 282 HD2 PHE 32 HD2 PHE 32 0.090 12.249 1.304 283 HE1 PHE 32 HE1 PHE 32 -2.024 12.024 -3.176 284 HE2 PHE 32 HE2 PHE 32 -1.921 13.613 0.814 285 HZ PHE 32 HZ PHE 32 -2.979 13.500 -1.427 286 H VAL 33 H VAL 33 4.295 10.715 -2.375 287 HA VAL 33 HA VAL 33 3.109 12.551 -4.376 288 HB VAL 33 HB VAL 33 5.354 12.774 -5.329 289 1HG1 VAL 33 1HG1 VAL 33 5.096 13.321 -2.360 290 2HG1 VAL 33 2HG1 VAL 33 4.720 14.422 -3.684 291 3HG1 VAL 33 3HG1 VAL 33 6.394 13.973 -3.359 292 1HG2 VAL 33 1HG2 VAL 33 6.035 10.852 -3.098 293 2HG2 VAL 33 2HG2 VAL 33 7.257 11.899 -3.819 294 3HG2 VAL 33 3HG2 VAL 33 6.416 10.713 -4.815 295 H PHE 34 H PHE 34 2.339 11.698 -6.137 296 HA PHE 34 HA PHE 34 3.240 9.012 -7.009 297 1HB PHE 34 1HB PHE 34 1.098 8.381 -6.560 298 2HB PHE 34 2HB PHE 34 0.549 10.043 -6.406 299 HD1 PHE 34 HD1 PHE 34 -1.155 10.595 -7.875 300 HD2 PHE 34 HD2 PHE 34 1.937 7.913 -9.182 301 HE1 PHE 34 HE1 PHE 34 -2.226 10.447 -10.107 302 HE2 PHE 34 HE2 PHE 34 0.864 7.767 -11.413 303 HZ PHE 34 HZ PHE 34 -1.216 9.033 -11.876 304 H LYS 35 H LYS 35 3.966 8.934 -9.044 305 HA LYS 35 HA LYS 35 3.404 11.232 -10.832 306 1HB LYS 35 1HB LYS 35 5.915 9.552 -10.853 307 2HB LYS 35 2HB LYS 35 5.624 11.067 -11.706 308 1HG LYS 35 1HG LYS 35 5.302 12.156 -9.434 309 2HG LYS 35 2HG LYS 35 5.907 10.661 -8.720 310 1HD LYS 35 1HD LYS 35 7.417 12.280 -10.792 311 2HD LYS 35 2HD LYS 35 7.685 12.408 -9.054 312 1HE LYS 35 1HE LYS 35 8.062 9.865 -9.090 313 2HE LYS 35 2HE LYS 35 8.168 10.021 -10.843 314 1HZ LYS 35 1HZ LYS 35 10.204 10.844 -10.683 315 2HZ LYS 35 2HZ LYS 35 10.188 10.431 -9.035 316 3HZ LYS 35 3HZ LYS 35 9.736 11.993 -9.526 317 H ASN 36 H ASN 36 4.587 7.877 -10.907 318 HA ASN 36 HA ASN 36 2.660 6.598 -12.312 319 1HB ASN 36 1HB ASN 36 2.568 8.028 -14.157 320 2HB ASN 36 2HB ASN 36 4.304 8.335 -14.130 321 1HD2 ASN 36 1HD2 ASN 36 5.316 7.351 -15.880 322 2HD2 ASN 36 2HD2 ASN 36 4.864 5.861 -16.558 323 H ASN 37 H ASN 37 6.015 7.237 -11.824 324 HA ASN 37 HA ASN 37 6.863 4.615 -12.737 325 1HB ASN 37 1HB ASN 37 8.501 6.703 -11.311 326 2HB ASN 37 2HB ASN 37 9.095 5.345 -12.265 327 1HD2 ASN 37 1HD2 ASN 37 9.573 8.259 -12.752 328 2HD2 ASN 37 2HD2 ASN 37 8.967 8.566 -14.308 329 H VAL 38 H VAL 38 6.656 6.406 -9.719 330 HA VAL 38 HA VAL 38 6.291 3.928 -8.233 331 HB VAL 38 HB VAL 38 8.607 5.779 -7.616 332 1HG1 VAL 38 1HG1 VAL 38 7.392 3.386 -6.244 333 2HG1 VAL 38 2HG1 VAL 38 7.897 4.926 -5.548 334 3HG1 VAL 38 3HG1 VAL 38 9.109 3.749 -6.049 335 1HG2 VAL 38 1HG2 VAL 38 9.934 3.673 -8.132 336 2HG2 VAL 38 2HG2 VAL 38 9.193 4.453 -9.527 337 3HG2 VAL 38 3HG2 VAL 38 8.458 3.009 -8.827 338 H LEU 39 H LEU 39 5.889 4.365 -5.904 339 HA LEU 39 HA LEU 39 4.725 7.046 -5.447 340 1HB LEU 39 1HB LEU 39 3.477 4.386 -5.322 341 2HB LEU 39 2HB LEU 39 3.253 5.319 -3.846 342 HG LEU 39 HG LEU 39 2.533 7.260 -5.351 343 1HD1 LEU 39 1HD1 LEU 39 2.642 4.987 -7.336 344 2HD1 LEU 39 2HD1 LEU 39 3.258 6.629 -7.511 345 3HD1 LEU 39 3HD1 LEU 39 1.522 6.329 -7.555 346 1HD2 LEU 39 1HD2 LEU 39 0.245 6.235 -5.700 347 2HD2 LEU 39 2HD2 LEU 39 0.885 6.073 -4.065 348 3HD2 LEU 39 3HD2 LEU 39 0.932 4.700 -5.170 349 H LEU 40 H LEU 40 5.613 8.048 -3.744 350 HA LEU 40 HA LEU 40 6.887 6.369 -1.663 351 1HB LEU 40 1HB LEU 40 8.022 8.382 -3.316 352 2HB LEU 40 2HB LEU 40 7.897 9.094 -1.712 353 HG LEU 40 HG LEU 40 9.034 6.318 -2.014 354 1HD1 LEU 40 1HD1 LEU 40 11.298 7.402 -2.184 355 2HD1 LEU 40 2HD1 LEU 40 10.486 8.939 -2.485 356 3HD1 LEU 40 3HD1 LEU 40 10.308 7.609 -3.628 357 1HD2 LEU 40 1HD2 LEU 40 9.627 8.628 -0.130 358 2HD2 LEU 40 2HD2 LEU 40 10.260 6.987 0.003 359 3HD2 LEU 40 3HD2 LEU 40 8.538 7.289 0.235 360 H ILE 41 H ILE 41 6.569 6.895 0.474 361 HA ILE 41 HA ILE 41 4.810 9.178 1.097 362 HB ILE 41 HB ILE 41 4.286 6.297 1.872 363 1HG1 ILE 41 1HG1 ILE 41 1.950 7.171 0.937 364 2HG1 ILE 41 2HG1 ILE 41 2.969 8.329 0.087 365 1HG2 ILE 41 1HG2 ILE 41 2.302 7.374 3.088 366 2HG2 ILE 41 2HG2 ILE 41 3.174 8.899 2.939 367 3HG2 ILE 41 3HG2 ILE 41 3.880 7.563 3.849 368 1HD1 ILE 41 1HD1 ILE 41 3.109 6.680 -1.479 369 2HD1 ILE 41 2HD1 ILE 41 2.666 5.418 -0.332 370 3HD1 ILE 41 3HD1 ILE 41 4.327 6.003 -0.399 371 H LEU 42 H LEU 42 5.326 10.195 2.938 372 HA LEU 42 HA LEU 42 7.759 9.646 4.264 373 1HB LEU 42 1HB LEU 42 5.447 11.492 4.774 374 2HB LEU 42 2HB LEU 42 6.714 11.327 5.982 375 HG LEU 42 HG LEU 42 7.014 13.207 4.273 376 1HD1 LEU 42 1HD1 LEU 42 9.281 11.215 4.250 377 2HD1 LEU 42 2HD1 LEU 42 8.823 12.086 5.713 378 3HD1 LEU 42 3HD1 LEU 42 9.369 12.974 4.292 379 1HD2 LEU 42 1HD2 LEU 42 6.319 11.604 2.354 380 2HD2 LEU 42 2HD2 LEU 42 7.974 11.007 2.445 381 3HD2 LEU 42 3HD2 LEU 42 7.668 12.700 2.065 382 H LEU 43 H LEU 43 8.252 8.472 6.000 383 HA LEU 43 HA LEU 43 6.328 7.786 8.024 384 1HB LEU 43 1HB LEU 43 5.777 6.132 6.250 385 2HB LEU 43 2HB LEU 43 7.441 5.550 6.316 386 HG LEU 43 HG LEU 43 6.932 5.302 8.903 387 1HD1 LEU 43 1HD1 LEU 43 4.708 6.371 8.790 388 2HD1 LEU 43 2HD1 LEU 43 4.572 4.693 9.309 389 3HD1 LEU 43 3HD1 LEU 43 4.171 5.137 7.651 390 1HD2 LEU 43 1HD2 LEU 43 7.450 3.457 7.324 391 2HD2 LEU 43 2HD2 LEU 43 5.754 3.405 6.849 392 3HD2 LEU 43 3HD2 LEU 43 6.221 2.990 8.498 393 H GLU 44 H GLU 44 7.806 8.685 9.448 394 HA GLU 44 HA GLU 44 10.542 7.683 9.532 395 1HB GLU 44 1HB GLU 44 10.832 9.288 11.364 396 2HB GLU 44 2HB GLU 44 10.083 10.069 9.971 397 1HG GLU 44 1HG GLU 44 7.834 9.571 11.067 398 2HG GLU 44 2HG GLU 44 8.738 9.141 12.516 399 H ASN 45 H ASN 45 7.488 7.094 11.037 400 HA ASN 45 HA ASN 45 8.112 6.081 13.519 401 1HB ASN 45 1HB ASN 45 6.076 5.256 11.465 402 2HB ASN 45 2HB ASN 45 6.193 4.414 13.009 403 1HD2 ASN 45 1HD2 ASN 45 4.981 7.257 11.448 404 2HD2 ASN 45 2HD2 ASN 45 4.432 8.046 12.847 405 H GLU 46 H GLU 46 9.623 4.672 14.100 406 HA GLU 46 HA GLU 46 10.952 2.916 12.330 407 1HB GLU 46 1HB GLU 46 12.074 3.654 14.322 408 2HB GLU 46 2HB GLU 46 10.805 2.987 15.349 409 1HG GLU 46 1HG GLU 46 11.432 0.758 14.882 410 2HG GLU 46 2HG GLU 46 12.360 1.225 13.457 411 H PHE 47 H PHE 47 8.171 2.480 14.446 412 HA PHE 47 HA PHE 47 8.122 -0.380 14.231 413 1HB PHE 47 1HB PHE 47 5.963 1.581 15.045 414 2HB PHE 47 2HB PHE 47 5.864 -0.171 15.227 415 HD1 PHE 47 HD1 PHE 47 7.561 2.900 16.378 416 HD2 PHE 47 HD2 PHE 47 7.169 -1.346 16.903 417 HE1 PHE 47 HE1 PHE 47 8.793 3.051 18.525 418 HE2 PHE 47 HE2 PHE 47 8.401 -1.194 19.049 419 HZ PHE 47 HZ PHE 47 9.215 1.004 19.860 420 H ALA 48 H ALA 48 5.619 1.903 13.145 421 HA ALA 48 HA ALA 48 4.224 0.362 11.405 422 1HB ALA 48 1HB ALA 48 4.989 3.260 11.285 423 2HB ALA 48 2HB ALA 48 3.415 2.539 11.613 424 3HB ALA 48 3HB ALA 48 4.058 2.544 9.971 425 H ARG 49 H ARG 49 7.411 1.733 10.824 426 HA ARG 49 HA ARG 49 7.436 0.959 8.038 427 1HB ARG 49 1HB ARG 49 8.745 2.892 9.164 428 2HB ARG 49 2HB ARG 49 9.877 1.637 9.666 429 1HG ARG 49 1HG ARG 49 10.441 1.087 7.442 430 2HG ARG 49 2HG ARG 49 9.013 1.881 6.783 431 1HD ARG 49 1HD ARG 49 9.923 4.006 6.999 432 2HD ARG 49 2HD ARG 49 10.987 3.532 8.319 433 HE ARG 49 HE ARG 49 11.536 3.278 5.476 434 1HH1 ARG 49 1HH1 ARG 49 12.274 2.298 8.711 435 2HH1 ARG 49 2HH1 ARG 49 13.877 1.762 8.330 436 1HH2 ARG 49 1HH2 ARG 49 13.634 2.571 4.968 437 2HH2 ARG 49 2HH2 ARG 49 14.647 1.915 6.211 438 H ASN 50 H ASN 50 8.633 -0.321 11.085 439 HA ASN 50 HA ASN 50 10.367 -2.289 10.217 440 1HB ASN 50 1HB ASN 50 10.046 -1.720 12.566 441 2HB ASN 50 2HB ASN 50 8.427 -2.417 12.529 442 1HD2 ASN 50 1HD2 ASN 50 11.862 -3.186 12.631 443 2HD2 ASN 50 2HD2 ASN 50 11.666 -4.860 12.835 444 H SER 51 H SER 51 6.853 -2.435 10.647 445 HA SER 51 HA SER 51 6.662 -5.173 9.681 446 1HB SER 51 1HB SER 51 5.024 -3.323 11.195 447 2HB SER 51 2HB SER 51 4.094 -4.132 9.938 448 HG SER 51 HG SER 51 4.869 -5.108 12.250 449 H LEU 52 H LEU 52 5.514 -1.957 8.614 450 HA LEU 52 HA LEU 52 4.034 -2.688 6.427 451 1HB LEU 52 1HB LEU 52 5.772 -0.303 6.959 452 2HB LEU 52 2HB LEU 52 4.979 -0.479 5.397 453 HG LEU 52 HG LEU 52 3.489 -0.699 8.026 454 1HD1 LEU 52 1HD1 LEU 52 3.529 1.725 6.221 455 2HD1 LEU 52 2HD1 LEU 52 4.605 1.570 7.609 456 3HD1 LEU 52 3HD1 LEU 52 2.861 1.589 7.846 457 1HD2 LEU 52 1HD2 LEU 52 1.668 0.102 6.206 458 2HD2 LEU 52 2HD2 LEU 52 2.037 -1.598 6.478 459 3HD2 LEU 52 3HD2 LEU 52 2.774 -0.743 5.124 460 H ASN 53 H ASN 53 7.557 -2.016 6.358 461 HA ASN 53 HA ASN 53 7.774 -2.899 3.642 462 1HB ASN 53 1HB ASN 53 9.329 -1.244 4.643 463 2HB ASN 53 2HB ASN 53 9.968 -2.508 5.692 464 1HD2 ASN 53 1HD2 ASN 53 11.982 -3.091 4.857 465 2HD2 ASN 53 2HD2 ASN 53 12.297 -3.391 3.217 466 H ASP 54 H ASP 54 7.455 -4.584 6.539 467 HA ASP 54 HA ASP 54 9.132 -6.833 5.867 468 1HB ASP 54 1HB ASP 54 8.509 -6.264 8.217 469 2HB ASP 54 2HB ASP 54 6.846 -6.715 7.846 470 H ASN 55 H ASN 55 5.808 -5.878 5.330 471 HA ASN 55 HA ASN 55 5.471 -7.872 3.293 472 1HB ASN 55 1HB ASN 55 5.075 -9.270 5.279 473 2HB ASN 55 2HB ASN 55 3.836 -8.141 5.828 474 1HD2 ASN 55 1HD2 ASN 55 4.611 -10.490 3.252 475 2HD2 ASN 55 2HD2 ASN 55 3.006 -10.698 2.742 476 H SER 56 H SER 56 5.309 -5.364 2.728 477 HA SER 56 HA SER 56 2.671 -4.243 3.194 478 1HB SER 56 1HB SER 56 5.225 -3.310 2.032 479 2HB SER 56 2HB SER 56 3.774 -2.619 1.314 480 HG SER 56 HG SER 56 4.915 -1.998 3.612 481 H GLU 57 H GLU 57 4.148 -3.978 0.053 482 HA GLU 57 HA GLU 57 3.490 -4.646 -2.051 483 1HB GLU 57 1HB GLU 57 1.696 -6.656 -0.672 484 2HB GLU 57 2HB GLU 57 2.237 -6.681 -2.348 485 1HG GLU 57 1HG GLU 57 4.049 -6.880 0.074 486 2HG GLU 57 2HG GLU 57 3.571 -8.228 -0.956 487 H ILE 58 H ILE 58 2.354 -2.427 -0.938 488 HA ILE 58 HA ILE 58 -0.469 -2.400 -0.930 489 HB ILE 58 HB ILE 58 1.349 -0.088 -1.615 490 1HG1 ILE 58 1HG1 ILE 58 2.272 -1.062 0.374 491 2HG1 ILE 58 2HG1 ILE 58 1.310 0.321 0.889 492 1HG2 ILE 58 1HG2 ILE 58 -0.890 0.584 -1.887 493 2HG2 ILE 58 2HG2 ILE 58 -0.480 1.112 -0.256 494 3HG2 ILE 58 3HG2 ILE 58 -1.433 -0.353 -0.495 495 1HD1 ILE 58 1HD1 ILE 58 0.638 -2.610 1.099 496 2HD1 ILE 58 2HD1 ILE 58 -0.623 -1.380 1.165 497 3HD1 ILE 58 3HD1 ILE 58 0.659 -1.393 2.375 498 H ILE 59 H ILE 59 1.415 -3.226 -3.426 499 HA ILE 59 HA ILE 59 0.016 -1.746 -5.521 500 HB ILE 59 HB ILE 59 2.354 -2.232 -5.921 501 1HG1 ILE 59 1HG1 ILE 59 0.766 -4.204 -7.586 502 2HG1 ILE 59 2HG1 ILE 59 0.658 -2.458 -7.814 503 1HG2 ILE 59 1HG2 ILE 59 3.169 -4.568 -6.021 504 2HG2 ILE 59 2HG2 ILE 59 1.581 -5.138 -5.510 505 3HG2 ILE 59 3HG2 ILE 59 2.563 -4.167 -4.414 506 1HD1 ILE 59 1HD1 ILE 59 3.251 -4.025 -7.909 507 2HD1 ILE 59 2HD1 ILE 59 3.035 -2.317 -8.295 508 3HD1 ILE 59 3HD1 ILE 59 2.327 -3.553 -9.335 509 H HIS 60 H HIS 60 0.079 -4.891 -4.009 510 HA HIS 60 HA HIS 60 -1.438 -6.523 -5.659 511 1HB HIS 60 1HB HIS 60 -1.127 -6.242 -2.699 512 2HB HIS 60 2HB HIS 60 -2.388 -7.307 -3.318 513 HD1 HIS 60 HD1 HIS 60 1.267 -6.682 -4.272 514 HD2 HIS 60 HD2 HIS 60 -1.360 -9.843 -3.574 515 HE1 HIS 60 HE1 HIS 60 2.593 -8.809 -4.636 516 HE2 HIS 60 HE2 HIS 60 1.004 -10.745 -4.214 517 H LEU 61 H LEU 61 -2.482 -3.552 -4.302 518 HA LEU 61 HA LEU 61 -5.255 -4.249 -5.066 519 1HB LEU 61 1HB LEU 61 -5.045 -2.219 -2.954 520 2HB LEU 61 2HB LEU 61 -6.106 -3.623 -3.065 521 HG LEU 61 HG LEU 61 -4.066 -5.042 -2.479 522 1HD1 LEU 61 1HD1 LEU 61 -2.058 -4.063 -2.147 523 2HD1 LEU 61 2HD1 LEU 61 -2.753 -2.853 -1.069 524 3HD1 LEU 61 3HD1 LEU 61 -2.747 -2.583 -2.809 525 1HD2 LEU 61 1HD2 LEU 61 -5.785 -4.642 -0.827 526 2HD2 LEU 61 2HD2 LEU 61 -5.184 -3.012 -0.524 527 3HD2 LEU 61 3HD2 LEU 61 -4.227 -4.410 -0.035 528 H ALA 62 H ALA 62 -3.003 -1.597 -4.359 529 HA ALA 62 HA ALA 62 -4.424 0.486 -5.540 530 1HB ALA 62 1HB ALA 62 -1.419 0.143 -5.495 531 2HB ALA 62 2HB ALA 62 -2.380 0.739 -4.143 532 3HB ALA 62 3HB ALA 62 -2.303 1.661 -5.645 533 H GLU 63 H GLU 63 -2.797 -2.158 -7.063 534 HA GLU 63 HA GLU 63 -2.128 -0.956 -9.505 535 1HB GLU 63 1HB GLU 63 -2.103 -3.235 -10.432 536 2HB GLU 63 2HB GLU 63 -1.316 -3.185 -8.855 537 1HG GLU 63 1HG GLU 63 -3.066 -4.309 -7.795 538 2HG GLU 63 2HG GLU 63 -4.251 -3.820 -8.997 539 H SER 64 H SER 64 -5.109 -1.014 -8.205 540 HA SER 64 HA SER 64 -6.552 -1.590 -10.697 541 1HB SER 64 1HB SER 64 -7.537 -0.994 -7.900 542 2HB SER 64 2HB SER 64 -8.585 -1.307 -9.282 543 HG SER 64 HG SER 64 -8.092 -3.181 -7.980 544 H LEU 65 H LEU 65 -6.933 0.950 -8.211 545 HA LEU 65 HA LEU 65 -8.290 2.826 -9.583 546 1HB LEU 65 1HB LEU 65 -7.453 3.071 -7.244 547 2HB LEU 65 2HB LEU 65 -5.869 3.486 -7.892 548 HG LEU 65 HG LEU 65 -6.929 5.376 -9.149 549 1HD1 LEU 65 1HD1 LEU 65 -9.358 4.224 -7.830 550 2HD1 LEU 65 2HD1 LEU 65 -9.186 4.946 -9.429 551 3HD1 LEU 65 3HD1 LEU 65 -9.265 5.976 -8.002 552 1HD2 LEU 65 1HD2 LEU 65 -7.398 6.756 -7.075 553 2HD2 LEU 65 2HD2 LEU 65 -5.862 5.891 -7.056 554 3HD2 LEU 65 3HD2 LEU 65 -7.234 5.271 -6.140 555 H TYR 66 H TYR 66 -5.055 1.800 -10.273 556 HA TYR 66 HA TYR 66 -4.841 3.891 -12.368 557 1HB TYR 66 1HB TYR 66 -2.576 2.404 -11.022 558 2HB TYR 66 2HB TYR 66 -2.431 3.718 -12.185 559 HD1 TYR 66 HD1 TYR 66 -2.374 5.955 -11.452 560 HD2 TYR 66 HD2 TYR 66 -3.843 2.896 -8.818 561 HE1 TYR 66 HE1 TYR 66 -2.475 7.600 -9.598 562 HE2 TYR 66 HE2 TYR 66 -3.951 4.547 -6.963 563 HH TYR 66 HH TYR 66 -3.994 6.834 -6.546 564 H GLU 67 H GLU 67 -2.980 2.945 -13.983 565 HA GLU 67 HA GLU 67 -4.281 0.815 -15.375 566 1HB GLU 67 1HB GLU 67 -1.522 1.977 -15.828 567 2HB GLU 67 2HB GLU 67 -2.457 1.022 -16.977 568 1HG GLU 67 1HG GLU 67 -4.261 2.787 -16.838 569 2HG GLU 67 2HG GLU 67 -3.136 3.769 -15.900 570 H GLY 68 H GLY 68 -1.352 1.080 -13.410 571 1HA GLY 68 1HA GLY 68 -1.405 -1.491 -12.372 572 2HA GLY 68 2HA GLY 68 -0.440 -1.583 -13.843 573 H ILE 69 H ILE 69 -0.735 0.122 -10.748 574 HA ILE 69 HA ILE 69 1.491 1.672 -10.645 575 HB ILE 69 HB ILE 69 0.398 -0.161 -8.503 576 1HG1 ILE 69 1HG1 ILE 69 -0.881 1.894 -9.574 577 2HG1 ILE 69 2HG1 ILE 69 -0.901 1.651 -7.830 578 1HG2 ILE 69 1HG2 ILE 69 2.602 1.898 -8.412 579 2HG2 ILE 69 2HG2 ILE 69 2.607 0.254 -7.776 580 3HG2 ILE 69 3HG2 ILE 69 1.656 1.504 -6.977 581 1HD1 ILE 69 1HD1 ILE 69 -0.333 4.024 -8.744 582 2HD1 ILE 69 2HD1 ILE 69 1.248 3.335 -9.106 583 3HD1 ILE 69 3HD1 ILE 69 0.660 3.365 -7.444 584 H LYS 70 H LYS 70 3.674 1.439 -10.336 585 HA LYS 70 HA LYS 70 4.842 -1.090 -11.127 586 1HB LYS 70 1HB LYS 70 6.174 1.467 -10.219 587 2HB LYS 70 2HB LYS 70 6.958 0.109 -11.023 588 1HG LYS 70 1HG LYS 70 4.991 0.578 -12.812 589 2HG LYS 70 2HG LYS 70 5.165 2.206 -12.158 590 1HD LYS 70 1HD LYS 70 7.636 2.044 -12.579 591 2HD LYS 70 2HD LYS 70 7.351 0.499 -13.382 592 1HE LYS 70 1HE LYS 70 5.987 1.538 -15.071 593 2HE LYS 70 2HE LYS 70 5.978 3.071 -14.200 594 1HZ LYS 70 1HZ LYS 70 8.597 2.629 -14.456 595 2HZ LYS 70 2HZ LYS 70 7.680 3.541 -15.559 596 3HZ LYS 70 3HZ LYS 70 8.028 1.911 -15.883 597 H SER 71 H SER 71 4.606 0.886 -8.207 598 HA SER 71 HA SER 71 4.795 -1.287 -6.440 599 1HB SER 71 1HB SER 71 7.093 -0.652 -5.477 600 2HB SER 71 2HB SER 71 7.071 -1.594 -6.965 601 HG SER 71 HG SER 71 7.201 1.240 -6.869 602 H VAL 72 H VAL 72 5.603 -0.396 -4.177 603 HA VAL 72 HA VAL 72 4.877 2.395 -3.696 604 HB VAL 72 HB VAL 72 3.423 0.121 -2.314 605 1HG1 VAL 72 1HG1 VAL 72 1.935 2.151 -1.665 606 2HG1 VAL 72 2HG1 VAL 72 3.321 3.131 -2.140 607 3HG1 VAL 72 3HG1 VAL 72 3.479 1.956 -0.835 608 1HG2 VAL 72 1HG2 VAL 72 2.557 0.170 -4.541 609 2HG2 VAL 72 2HG2 VAL 72 2.582 1.932 -4.588 610 3HG2 VAL 72 3HG2 VAL 72 1.413 1.096 -3.570 611 H ASN 73 H ASN 73 5.696 3.168 -1.723 612 HA ASN 73 HA ASN 73 6.923 1.362 0.160 613 1HB ASN 73 1HB ASN 73 8.501 1.459 -1.869 614 2HB ASN 73 2HB ASN 73 8.857 3.103 -1.346 615 1HD2 ASN 73 1HD2 ASN 73 9.152 -0.314 -0.434 616 2HD2 ASN 73 2HD2 ASN 73 10.268 -0.058 0.820 617 H PHE 74 H PHE 74 7.541 2.261 2.024 618 HA PHE 74 HA PHE 74 7.065 5.165 2.377 619 1HB PHE 74 1HB PHE 74 6.771 3.028 4.498 620 2HB PHE 74 2HB PHE 74 6.231 4.703 4.567 621 HD1 PHE 74 HD1 PHE 74 4.033 5.241 3.970 622 HD2 PHE 74 HD2 PHE 74 5.759 1.563 2.574 623 HE1 PHE 74 HE1 PHE 74 1.846 4.580 3.010 624 HE2 PHE 74 HE2 PHE 74 3.570 0.903 1.614 625 HZ PHE 74 HZ PHE 74 1.614 2.412 1.833 626 H VAL 75 H VAL 75 8.628 6.308 3.526 627 HA VAL 75 HA VAL 75 10.862 4.787 4.681 628 HB VAL 75 HB VAL 75 12.525 6.000 3.458 629 1HG1 VAL 75 1HG1 VAL 75 10.408 5.162 1.465 630 2HG1 VAL 75 2HG1 VAL 75 11.385 4.013 2.380 631 3HG1 VAL 75 3HG1 VAL 75 12.158 5.124 1.249 632 1HG2 VAL 75 1HG2 VAL 75 11.802 7.607 1.644 633 2HG2 VAL 75 2HG2 VAL 75 11.464 8.177 3.278 634 3HG2 VAL 75 3HG2 VAL 75 10.165 7.508 2.292 635 H ASN 76 H ASN 76 12.576 6.869 5.209 636 HA ASN 76 HA ASN 76 11.040 8.338 7.241 637 1HB ASN 76 1HB ASN 76 14.014 8.443 7.167 638 2HB ASN 76 2HB ASN 76 12.923 8.333 8.546 639 1HD2 ASN 76 1HD2 ASN 76 14.150 6.370 5.790 640 2HD2 ASN 76 2HD2 ASN 76 14.022 4.885 6.602 641 H GLU 77 H GLU 77 11.500 10.550 7.675 642 HA GLU 77 HA GLU 77 11.110 12.344 5.728 643 1HB GLU 77 1HB GLU 77 12.268 14.036 7.173 644 2HB GLU 77 2HB GLU 77 11.090 13.034 8.021 645 1HG GLU 77 1HG GLU 77 13.052 11.502 8.630 646 2HG GLU 77 2HG GLU 77 14.103 12.800 8.069 647 H GLN 78 H GLN 78 14.384 11.290 6.731 648 HA GLN 78 HA GLN 78 15.678 12.984 4.834 649 1HB GLN 78 1HB GLN 78 16.561 10.685 6.559 650 2HB GLN 78 2HB GLN 78 17.638 11.304 5.307 651 1HG GLN 78 1HG GLN 78 17.485 13.560 6.262 652 2HG GLN 78 2HG GLN 78 16.365 12.978 7.490 653 1HE2 GLN 78 1HE2 GLN 78 19.749 13.037 6.512 654 2HE2 GLN 78 2HE2 GLN 78 20.357 12.323 7.926 655 H ASP 79 H ASP 79 14.913 9.495 4.800 656 HA ASP 79 HA ASP 79 16.088 8.847 2.366 657 1HB ASP 79 1HB ASP 79 13.694 7.832 3.849 658 2HB ASP 79 2HB ASP 79 14.000 7.244 2.213 659 H PHE 80 H PHE 80 12.617 9.663 2.801 660 HA PHE 80 HA PHE 80 11.918 9.949 0.150 661 1HB PHE 80 1HB PHE 80 10.112 10.149 1.592 662 2HB PHE 80 2HB PHE 80 10.978 11.214 2.697 663 HD1 PHE 80 HD1 PHE 80 9.035 11.021 -0.421 664 HD2 PHE 80 HD2 PHE 80 11.203 13.610 2.233 665 HE1 PHE 80 HE1 PHE 80 8.037 12.999 -1.535 666 HE2 PHE 80 HE2 PHE 80 10.206 15.588 1.121 667 HZ PHE 80 HZ PHE 80 8.623 15.283 -0.764 668 H PHE 81 H PHE 81 13.581 12.224 2.287 669 HA PHE 81 HA PHE 81 13.544 14.458 0.554 670 1HB PHE 81 1HB PHE 81 14.136 14.480 3.013 671 2HB PHE 81 2HB PHE 81 15.709 13.826 2.563 672 HD1 PHE 81 HD1 PHE 81 13.650 16.792 2.750 673 HD2 PHE 81 HD2 PHE 81 17.153 15.112 0.918 674 HE1 PHE 81 HE1 PHE 81 14.440 19.071 2.169 675 HE2 PHE 81 HE2 PHE 81 17.943 17.390 0.338 676 HZ PHE 81 HZ PHE 81 16.586 19.369 0.963 677 H PHE 82 H PHE 82 15.627 11.630 0.793 678 HA PHE 82 HA PHE 82 17.750 12.540 -0.828 679 1HB PHE 82 1HB PHE 82 17.755 10.444 0.569 680 2HB PHE 82 2HB PHE 82 16.694 9.708 -0.631 681 HD1 PHE 82 HD1 PHE 82 19.992 11.439 -0.280 682 HD2 PHE 82 HD2 PHE 82 17.592 8.696 -2.553 683 HE1 PHE 82 HE1 PHE 82 21.960 10.874 -1.678 684 HE2 PHE 82 HE2 PHE 82 19.559 8.131 -3.952 685 HZ PHE 82 HZ PHE 82 21.744 9.220 -3.515 686 H ASN 83 H ASN 83 14.555 11.315 -1.498 687 HA ASN 83 HA ASN 83 15.059 11.162 -4.382 688 1HB ASN 83 1HB ASN 83 13.644 9.473 -3.093 689 2HB ASN 83 2HB ASN 83 12.431 10.744 -2.962 690 1HD2 ASN 83 1HD2 ASN 83 10.862 10.447 -4.542 691 2HD2 ASN 83 2HD2 ASN 83 11.166 9.952 -6.136 692 H LEU 84 H LEU 84 14.948 13.689 -2.636 693 HA LEU 84 HA LEU 84 12.702 15.139 -3.843 694 1HB LEU 84 1HB LEU 84 13.205 15.444 -1.442 695 2HB LEU 84 2HB LEU 84 14.786 16.092 -1.872 696 HG LEU 84 HG LEU 84 13.736 17.935 -3.092 697 1HD1 LEU 84 1HD1 LEU 84 11.246 16.361 -2.500 698 2HD1 LEU 84 2HD1 LEU 84 11.722 17.179 -3.989 699 3HD1 LEU 84 3HD1 LEU 84 11.138 18.117 -2.618 700 1HD2 LEU 84 1HD2 LEU 84 14.116 18.080 -0.606 701 2HD2 LEU 84 2HD2 LEU 84 12.430 17.617 -0.376 702 3HD2 LEU 84 3HD2 LEU 84 12.825 19.129 -1.192 703 H ALA 85 H ALA 85 16.063 14.637 -4.370 704 HA ALA 85 HA ALA 85 16.241 17.079 -6.007 705 1HB ALA 85 1HB ALA 85 18.594 16.955 -5.819 706 2HB ALA 85 2HB ALA 85 18.545 15.265 -5.315 707 3HB ALA 85 3HB ALA 85 17.992 16.531 -4.217 708 H LYS 86 H LYS 86 16.224 13.604 -6.214 709 HA LYS 86 HA LYS 86 17.471 13.031 -8.578 710 1HB LYS 86 1HB LYS 86 14.697 12.021 -7.920 711 2HB LYS 86 2HB LYS 86 15.926 11.215 -8.893 712 1HG LYS 86 1HG LYS 86 16.438 11.953 -6.012 713 2HG LYS 86 2HG LYS 86 15.648 10.440 -6.449 714 1HD LYS 86 1HD LYS 86 17.599 9.919 -7.940 715 2HD LYS 86 2HD LYS 86 18.402 11.359 -7.313 716 1HE LYS 86 1HE LYS 86 17.392 9.105 -5.561 717 2HE LYS 86 2HE LYS 86 19.055 9.231 -6.133 718 1HZ LYS 86 1HZ LYS 86 18.329 11.705 -5.077 719 2HZ LYS 86 2HZ LYS 86 19.471 10.605 -4.469 720 3HZ LYS 86 3HZ LYS 86 17.855 10.529 -3.953 721 H LEU 87 H LEU 87 14.127 14.190 -8.257 722 HA LEU 87 HA LEU 87 13.275 14.367 -10.824 723 1HB LEU 87 1HB LEU 87 12.991 16.402 -8.608 724 2HB LEU 87 2HB LEU 87 12.156 16.561 -10.153 725 HG LEU 87 HG LEU 87 11.189 14.267 -9.791 726 1HD1 LEU 87 1HD1 LEU 87 12.686 14.608 -7.196 727 2HD1 LEU 87 2HD1 LEU 87 12.622 13.204 -8.260 728 3HD1 LEU 87 3HD1 LEU 87 11.229 13.616 -7.263 729 1HD2 LEU 87 1HD2 LEU 87 9.489 15.026 -8.232 730 2HD2 LEU 87 2HD2 LEU 87 9.993 16.405 -9.211 731 3HD2 LEU 87 3HD2 LEU 87 10.587 16.231 -7.559 732 H GLU 88 H GLU 88 13.226 16.164 -12.388 733 HA GLU 88 HA GLU 88 15.281 18.176 -12.294 734 1HB GLU 88 1HB GLU 88 16.577 16.118 -12.904 735 2HB GLU 88 2HB GLU 88 15.588 15.987 -14.358 736 1HG GLU 88 1HG GLU 88 16.361 18.128 -15.163 737 2HG GLU 88 2HG GLU 88 17.184 18.458 -13.639 738 H GLU 89 H GLU 89 15.084 19.708 -13.959 739 HA GLU 89 HA GLU 89 12.856 19.323 -15.855 740 1HB GLU 89 1HB GLU 89 13.232 21.909 -14.351 741 2HB GLU 89 2HB GLU 89 11.840 21.381 -15.296 742 1HG GLU 89 1HG GLU 89 12.785 20.138 -12.696 743 2HG GLU 89 2HG GLU 89 11.379 21.182 -12.885 744 H ASN 90 H ASN 90 15.357 21.685 -14.875 745 HA ASN 90 HA ASN 90 15.675 22.722 -17.518 746 1HB ASN 90 1HB ASN 90 17.653 22.911 -15.241 747 2HB ASN 90 2HB ASN 90 17.484 24.006 -16.612 748 1HD2 ASN 90 1HD2 ASN 90 16.842 23.911 -13.397 749 2HD2 ASN 90 2HD2 ASN 90 15.438 24.862 -13.343 750 H SER 91 H SER 91 17.647 22.595 -18.797 751 HA SER 91 HA SER 91 19.696 20.721 -18.390 752 1HB SER 91 1HB SER 91 18.201 18.914 -18.601 753 2HB SER 91 2HB SER 91 17.282 19.707 -19.876 754 HG SER 91 HG SER 91 19.067 19.446 -21.241 755 H ARG 92 H ARG 92 21.068 22.154 -19.333 756 HA ARG 92 HA ARG 92 21.157 22.261 -22.195 757 1HB ARG 92 1HB ARG 92 21.058 24.817 -22.247 758 2HB ARG 92 2HB ARG 92 19.519 23.974 -22.062 759 1HG ARG 92 1HG ARG 92 19.379 24.477 -19.762 760 2HG ARG 92 2HG ARG 92 21.097 24.859 -19.648 761 1HD ARG 92 1HD ARG 92 19.501 26.857 -19.666 762 2HD ARG 92 2HD ARG 92 20.828 26.910 -20.822 763 HE ARG 92 HE ARG 92 18.393 25.752 -21.881 764 1HH1 ARG 92 1HH1 ARG 92 20.227 28.623 -21.273 765 2HH1 ARG 92 2HH1 ARG 92 19.463 29.541 -22.528 766 1HH2 ARG 92 1HH2 ARG 92 17.388 26.950 -23.529 767 2HH2 ARG 92 2HH2 ARG 92 17.857 28.595 -23.805 768 H ASP 93 H ASP 93 22.548 22.278 -19.246 769 HA ASP 93 HA ASP 93 24.757 24.042 -19.574 770 1HB ASP 93 1HB ASP 93 23.893 22.957 -17.413 771 2HB ASP 93 2HB ASP 93 24.786 21.523 -17.918 772 H THR 94 H THR 94 26.639 21.759 -18.769 773 HA THR 94 HA THR 94 27.615 21.250 -21.461 774 HB THR 94 HB THR 94 29.201 21.883 -19.699 775 HG1 THR 94 HG1 THR 94 30.365 20.675 -20.960 776 1HG2 THR 94 1HG2 THR 94 27.840 20.757 -17.865 777 2HG2 THR 94 2HG2 THR 94 29.585 20.522 -17.771 778 3HG2 THR 94 3HG2 THR 94 28.554 19.234 -18.393 779 H LEU 95 H LEU 95 27.866 19.227 -22.404 780 HA LEU 95 HA LEU 95 27.084 16.812 -21.039 781 1HB LEU 95 1HB LEU 95 25.265 16.423 -22.906 782 2HB LEU 95 2HB LEU 95 24.854 17.311 -21.439 783 HG LEU 95 HG LEU 95 25.224 19.440 -22.581 784 1HD1 LEU 95 1HD1 LEU 95 26.983 18.976 -24.107 785 2HD1 LEU 95 2HD1 LEU 95 25.582 19.291 -25.130 786 3HD1 LEU 95 3HD1 LEU 95 26.104 17.633 -24.836 787 1HD2 LEU 95 1HD2 LEU 95 23.318 19.387 -24.036 788 2HD2 LEU 95 2HD2 LEU 95 23.017 18.179 -22.786 789 3HD2 LEU 95 3HD2 LEU 95 23.555 17.675 -24.389 790 H TYR 96 H TYR 96 29.203 18.136 -22.811 791 HA TYR 96 HA TYR 96 29.313 16.824 -25.297 792 1HB TYR 96 1HB TYR 96 30.757 18.725 -24.748 793 2HB TYR 96 2HB TYR 96 31.583 17.759 -23.526 794 HD1 TYR 96 HD1 TYR 96 30.734 17.783 -27.173 795 HD2 TYR 96 HD2 TYR 96 33.448 16.456 -24.118 796 HE1 TYR 96 HE1 TYR 96 32.254 16.881 -28.913 797 HE2 TYR 96 HE2 TYR 96 34.967 15.555 -25.859 798 HH TYR 96 HH TYR 96 34.522 14.700 -28.422 799 H GLN 97 H GLN 97 28.585 14.668 -24.809 800 HA GLN 97 HA GLN 97 30.761 12.841 -24.391 801 1HB GLN 97 1HB GLN 97 30.205 13.415 -22.043 802 2HB GLN 97 2HB GLN 97 28.548 12.878 -22.325 803 1HG GLN 97 1HG GLN 97 29.239 10.625 -22.704 804 2HG GLN 97 2HG GLN 97 30.935 11.091 -22.821 805 1HE2 GLN 97 1HE2 GLN 97 31.473 9.611 -21.026 806 2HE2 GLN 97 2HE2 GLN 97 31.082 10.022 -19.425 807 H ASN 98 H ASN 98 27.203 12.967 -24.075 808 HA ASN 98 HA ASN 98 26.796 11.442 -26.466 809 1HB ASN 98 1HB ASN 98 27.542 9.645 -24.924 810 2HB ASN 98 2HB ASN 98 26.219 10.060 -23.836 811 1HD2 ASN 98 1HD2 ASN 98 25.244 7.911 -24.180 812 2HD2 ASN 98 2HD2 ASN 98 24.439 7.553 -25.631 813 H SER 99 H SER 99 25.287 12.031 -23.281 814 HA SER 99 HA SER 99 23.266 13.726 -24.370 815 1HB SER 99 1HB SER 99 22.224 11.777 -25.232 816 2HB SER 99 2HB SER 99 22.564 10.854 -23.772 817 HG SER 99 HG SER 99 20.465 11.499 -23.617 818 H GLY 100 H GLY 100 22.411 11.426 -21.906 819 1HA GLY 100 1HA GLY 100 22.263 11.582 -19.605 820 2HA GLY 100 2HA GLY 100 23.419 12.910 -19.672 Start of MODEL 4 1 H MET 1 H MET 1 -7.503 14.295 -3.449 2 HA MET 1 HA MET 1 -9.585 15.331 -2.969 3 1HB MET 1 1HB MET 1 -11.198 15.311 -5.094 4 2HB MET 1 2HB MET 1 -10.150 16.689 -4.760 5 1HG MET 1 1HG MET 1 -8.529 15.974 -6.355 6 2HG MET 1 2HG MET 1 -9.262 14.376 -6.493 7 1HE MET 1 1HE MET 1 -9.294 14.449 -9.018 8 2HE MET 1 2HE MET 1 -10.880 14.783 -9.711 9 3HE MET 1 3HE MET 1 -10.744 13.724 -8.309 10 H GLU 2 H GLU 2 -10.590 13.497 -5.759 11 HA GLU 2 HA GLU 2 -11.712 11.440 -4.066 12 1HB GLU 2 1HB GLU 2 -11.942 12.293 -6.880 13 2HB GLU 2 2HB GLU 2 -12.053 10.549 -6.646 14 1HG GLU 2 1HG GLU 2 -13.802 10.908 -4.926 15 2HG GLU 2 2HG GLU 2 -13.713 12.645 -5.212 16 H GLN 3 H GLN 3 -9.079 11.728 -6.399 17 HA GLN 3 HA GLN 3 -8.289 9.176 -6.863 18 1HB GLN 3 1HB GLN 3 -7.103 11.145 -7.718 19 2HB GLN 3 2HB GLN 3 -6.464 11.463 -6.105 20 1HG GLN 3 1HG GLN 3 -4.950 9.740 -6.211 21 2HG GLN 3 2HG GLN 3 -6.025 8.714 -7.160 22 1HE2 GLN 3 1HE2 GLN 3 -5.204 8.366 -9.216 23 2HE2 GLN 3 2HE2 GLN 3 -4.323 9.498 -10.122 24 H PHE 4 H PHE 4 -6.525 10.925 -4.348 25 HA PHE 4 HA PHE 4 -5.510 8.756 -2.994 26 1HB PHE 4 1HB PHE 4 -5.289 11.371 -2.576 27 2HB PHE 4 2HB PHE 4 -6.522 11.053 -1.357 28 HD1 PHE 4 HD1 PHE 4 -5.759 10.529 0.785 29 HD2 PHE 4 HD2 PHE 4 -3.338 9.491 -2.609 30 HE1 PHE 4 HE1 PHE 4 -4.014 9.635 2.302 31 HE2 PHE 4 HE2 PHE 4 -1.595 8.595 -1.091 32 HZ PHE 4 HZ PHE 4 -1.932 8.668 1.364 33 H ASN 5 H ASN 5 -8.666 10.298 -2.470 34 HA ASN 5 HA ASN 5 -9.501 8.638 -0.355 35 1HB ASN 5 1HB ASN 5 -10.613 10.773 -1.218 36 2HB ASN 5 2HB ASN 5 -11.340 9.762 -2.467 37 1HD2 ASN 5 1HD2 ASN 5 -10.990 9.898 1.121 38 2HD2 ASN 5 2HD2 ASN 5 -12.511 9.213 1.436 39 H ALA 6 H ALA 6 -9.336 8.138 -3.800 40 HA ALA 6 HA ALA 6 -11.052 5.817 -3.822 41 1HB ALA 6 1HB ALA 6 -10.625 7.373 -5.786 42 2HB ALA 6 2HB ALA 6 -10.518 5.648 -6.133 43 3HB ALA 6 3HB ALA 6 -9.047 6.601 -5.937 44 H PHE 7 H PHE 7 -7.559 6.209 -4.485 45 HA PHE 7 HA PHE 7 -6.984 3.446 -4.369 46 1HB PHE 7 1HB PHE 7 -5.100 4.303 -5.255 47 2HB PHE 7 2HB PHE 7 -5.501 5.919 -4.685 48 HD1 PHE 7 HD1 PHE 7 -4.887 6.595 -2.333 49 HD2 PHE 7 HD2 PHE 7 -3.512 2.935 -4.113 50 HE1 PHE 7 HE1 PHE 7 -3.120 6.418 -0.603 51 HE2 PHE 7 HE2 PHE 7 -1.745 2.758 -2.382 52 HZ PHE 7 HZ PHE 7 -1.548 4.499 -0.627 53 H LYS 8 H LYS 8 -6.774 6.003 -1.919 54 HA LYS 8 HA LYS 8 -5.719 4.446 0.180 55 1HB LYS 8 1HB LYS 8 -5.958 6.953 0.146 56 2HB LYS 8 2HB LYS 8 -7.674 6.720 0.493 57 1HG LYS 8 1HG LYS 8 -7.136 5.510 2.545 58 2HG LYS 8 2HG LYS 8 -5.412 5.609 2.182 59 1HD LYS 8 1HD LYS 8 -5.655 7.405 3.644 60 2HD LYS 8 2HD LYS 8 -5.891 8.210 2.093 61 1HE LYS 8 1HE LYS 8 -7.675 8.945 3.519 62 2HE LYS 8 2HE LYS 8 -8.385 7.792 2.389 63 1HZ LYS 8 1HZ LYS 8 -8.793 7.609 4.957 64 2HZ LYS 8 2HZ LYS 8 -7.314 6.772 4.914 65 3HZ LYS 8 3HZ LYS 8 -8.634 6.222 3.994 66 H SER 9 H SER 9 -9.128 5.230 -0.626 67 HA SER 9 HA SER 9 -10.226 3.766 1.469 68 1HB SER 9 1HB SER 9 -11.358 4.394 -1.271 69 2HB SER 9 2HB SER 9 -12.297 3.610 -0.006 70 HG SER 9 HG SER 9 -11.655 6.216 -0.314 71 H LEU 10 H LEU 10 -8.685 2.768 -1.428 72 HA LEU 10 HA LEU 10 -9.825 0.175 -1.692 73 1HB LEU 10 1HB LEU 10 -8.172 1.614 -3.250 74 2HB LEU 10 2HB LEU 10 -6.962 0.639 -2.419 75 HG LEU 10 HG LEU 10 -9.292 -0.336 -4.092 76 1HD1 LEU 10 1HD1 LEU 10 -7.428 0.161 -5.473 77 2HD1 LEU 10 2HD1 LEU 10 -7.309 -1.575 -5.192 78 3HD1 LEU 10 3HD1 LEU 10 -6.278 -0.465 -4.293 79 1HD2 LEU 10 1HD2 LEU 10 -8.339 -2.637 -3.500 80 2HD2 LEU 10 2HD2 LEU 10 -9.243 -1.835 -2.223 81 3HD2 LEU 10 3HD2 LEU 10 -7.481 -1.838 -2.185 82 H LEU 11 H LEU 11 -7.146 1.550 0.146 83 HA LEU 11 HA LEU 11 -6.045 -0.867 1.112 84 1HB LEU 11 1HB LEU 11 -5.962 1.996 1.989 85 2HB LEU 11 2HB LEU 11 -5.410 0.763 3.117 86 HG LEU 11 HG LEU 11 -4.409 0.656 0.291 87 1HD1 LEU 11 1HD1 LEU 11 -3.997 2.960 0.737 88 2HD1 LEU 11 2HD1 LEU 11 -2.483 2.140 1.114 89 3HD1 LEU 11 3HD1 LEU 11 -3.563 2.637 2.415 90 1HD2 LEU 11 1HD2 LEU 11 -3.042 0.162 2.956 91 2HD2 LEU 11 2HD2 LEU 11 -2.480 -0.341 1.362 92 3HD2 LEU 11 3HD2 LEU 11 -3.915 -1.086 2.068 93 H LYS 12 H LYS 12 -8.558 1.300 2.428 94 HA LYS 12 HA LYS 12 -9.076 0.218 4.871 95 1HB LYS 12 1HB LYS 12 -11.088 0.958 2.736 96 2HB LYS 12 2HB LYS 12 -11.533 0.583 4.399 97 1HG LYS 12 1HG LYS 12 -10.042 2.390 5.198 98 2HG LYS 12 2HG LYS 12 -9.633 2.782 3.528 99 1HD LYS 12 1HD LYS 12 -11.958 3.342 3.045 100 2HD LYS 12 2HD LYS 12 -12.443 2.845 4.668 101 1HE LYS 12 1HE LYS 12 -10.374 4.999 4.211 102 2HE LYS 12 2HE LYS 12 -12.098 5.363 4.296 103 1HZ LYS 12 1HZ LYS 12 -11.642 5.527 6.480 104 2HZ LYS 12 2HZ LYS 12 -10.269 4.532 6.395 105 3HZ LYS 12 3HZ LYS 12 -11.820 3.842 6.449 106 H LYS 13 H LYS 13 -10.329 -1.101 1.807 107 HA LYS 13 HA LYS 13 -11.576 -3.407 2.780 108 1HB LYS 13 1HB LYS 13 -10.347 -2.582 0.194 109 2HB LYS 13 2HB LYS 13 -10.644 -4.303 0.422 110 1HG LYS 13 1HG LYS 13 -12.822 -2.344 1.095 111 2HG LYS 13 2HG LYS 13 -12.534 -2.765 -0.593 112 1HD LYS 13 1HD LYS 13 -12.942 -5.087 -0.182 113 2HD LYS 13 2HD LYS 13 -12.908 -4.853 1.565 114 1HE LYS 13 1HE LYS 13 -14.967 -3.627 1.530 115 2HE LYS 13 2HE LYS 13 -14.937 -3.503 -0.229 116 1HZ LYS 13 1HZ LYS 13 -16.424 -5.271 0.787 117 2HZ LYS 13 2HZ LYS 13 -14.998 -6.120 1.146 118 3HZ LYS 13 3HZ LYS 13 -15.395 -5.764 -0.467 119 H HIS 14 H HIS 14 -8.204 -2.803 1.931 120 HA HIS 14 HA HIS 14 -7.222 -5.439 2.370 121 1HB HIS 14 1HB HIS 14 -6.110 -3.499 1.122 122 2HB HIS 14 2HB HIS 14 -5.630 -2.906 2.709 123 HD1 HIS 14 HD1 HIS 14 -3.320 -3.680 1.028 124 HD2 HIS 14 HD2 HIS 14 -5.372 -6.513 3.297 125 HE1 HIS 14 HE1 HIS 14 -1.733 -5.628 1.348 126 HE2 HIS 14 HE2 HIS 14 -2.969 -7.363 2.729 127 H TYR 15 H TYR 15 -6.748 -2.501 4.342 128 HA TYR 15 HA TYR 15 -6.113 -4.114 6.677 129 1HB TYR 15 1HB TYR 15 -5.915 -1.222 5.921 130 2HB TYR 15 2HB TYR 15 -5.948 -1.642 7.632 131 HD1 TYR 15 HD1 TYR 15 -4.415 -3.311 4.630 132 HD2 TYR 15 HD2 TYR 15 -3.787 -1.554 8.499 133 HE1 TYR 15 HE1 TYR 15 -2.022 -3.948 4.533 134 HE2 TYR 15 HE2 TYR 15 -1.395 -2.192 8.402 135 HH TYR 15 HH TYR 15 -0.119 -4.303 6.864 136 H GLU 16 H GLU 16 -8.879 -4.094 5.565 137 HA GLU 16 HA GLU 16 -10.680 -2.519 6.932 138 1HB GLU 16 1HB GLU 16 -11.168 -4.309 5.188 139 2HB GLU 16 2HB GLU 16 -11.094 -5.479 6.507 140 1HG GLU 16 1HG GLU 16 -12.814 -4.070 7.720 141 2HG GLU 16 2HG GLU 16 -12.995 -3.138 6.235 142 H LYS 17 H LYS 17 -9.582 -5.751 7.995 143 HA LYS 17 HA LYS 17 -10.612 -5.306 10.664 144 1HB LYS 17 1HB LYS 17 -8.900 -7.558 9.582 145 2HB LYS 17 2HB LYS 17 -9.742 -7.548 11.131 146 1HG LYS 17 1HG LYS 17 -11.895 -7.474 10.046 147 2HG LYS 17 2HG LYS 17 -11.148 -7.218 8.469 148 1HD LYS 17 1HD LYS 17 -10.005 -9.452 8.738 149 2HD LYS 17 2HD LYS 17 -10.980 -9.709 10.185 150 1HE LYS 17 1HE LYS 17 -12.008 -10.752 8.177 151 2HE LYS 17 2HE LYS 17 -13.037 -9.500 8.871 152 1HZ LYS 17 1HZ LYS 17 -11.109 -8.798 6.766 153 2HZ LYS 17 2HZ LYS 17 -12.578 -8.047 7.174 154 3HZ LYS 17 3HZ LYS 17 -12.580 -9.526 6.338 155 H THR 18 H THR 18 -8.120 -3.959 9.202 156 HA THR 18 HA THR 18 -6.397 -4.019 11.610 157 HB THR 18 HB THR 18 -5.356 -3.585 8.813 158 HG1 THR 18 HG1 THR 18 -6.425 -5.768 9.590 159 1HG2 THR 18 1HG2 THR 18 -4.097 -4.390 11.449 160 2HG2 THR 18 2HG2 THR 18 -3.913 -2.840 10.629 161 3HG2 THR 18 3HG2 THR 18 -3.235 -4.302 9.913 162 H ILE 19 H ILE 19 -8.329 -2.190 11.631 163 HA ILE 19 HA ILE 19 -7.475 0.268 10.336 164 HB ILE 19 HB ILE 19 -9.865 -0.176 10.558 165 1HG1 ILE 19 1HG1 ILE 19 -9.142 2.049 12.478 166 2HG1 ILE 19 2HG1 ILE 19 -8.875 2.181 10.739 167 1HG2 ILE 19 1HG2 ILE 19 -10.947 -0.600 12.577 168 2HG2 ILE 19 2HG2 ILE 19 -9.693 0.184 13.537 169 3HG2 ILE 19 3HG2 ILE 19 -9.408 -1.415 12.848 170 1HD1 ILE 19 1HD1 ILE 19 -11.541 1.617 12.071 171 2HD1 ILE 19 2HD1 ILE 19 -11.270 1.756 10.334 172 3HD1 ILE 19 3HD1 ILE 19 -11.050 3.161 11.377 173 H GLY 20 H GLY 20 -8.078 -0.634 13.756 174 1HA GLY 20 1HA GLY 20 -7.197 1.398 15.200 175 2HA GLY 20 2HA GLY 20 -6.651 -0.229 15.586 176 H PHE 21 H PHE 21 -4.784 -0.965 14.041 177 HA PHE 21 HA PHE 21 -2.454 0.311 14.628 178 1HB PHE 21 1HB PHE 21 -2.365 -1.818 13.534 179 2HB PHE 21 2HB PHE 21 -3.198 -1.194 12.111 180 HD1 PHE 21 HD1 PHE 21 -1.929 -0.495 10.274 181 HD2 PHE 21 HD2 PHE 21 -0.119 -0.575 14.169 182 HE1 PHE 21 HE1 PHE 21 0.255 0.124 9.272 183 HE2 PHE 21 HE2 PHE 21 2.064 0.045 13.165 184 HZ PHE 21 HZ PHE 21 2.247 0.390 10.719 185 H HIS 22 H HIS 22 -4.428 0.882 11.724 186 HA HIS 22 HA HIS 22 -2.848 2.982 10.674 187 1HB HIS 22 1HB HIS 22 -4.606 1.701 9.405 188 2HB HIS 22 2HB HIS 22 -5.828 2.582 10.319 189 HD1 HIS 22 HD1 HIS 22 -5.630 5.303 10.121 190 HD2 HIS 22 HD2 HIS 22 -3.717 3.074 7.163 191 HE1 HIS 22 HE1 HIS 22 -5.202 6.888 8.196 192 HE2 HIS 22 HE2 HIS 22 -4.039 5.545 6.381 193 H ASP 23 H ASP 23 -6.025 3.231 12.333 194 HA ASP 23 HA ASP 23 -6.068 5.976 12.626 195 1HB ASP 23 1HB ASP 23 -7.798 4.083 13.263 196 2HB ASP 23 2HB ASP 23 -7.072 4.252 14.859 197 H LYS 24 H LYS 24 -3.917 3.776 14.055 198 HA LYS 24 HA LYS 24 -3.273 5.596 16.281 199 1HB LYS 24 1HB LYS 24 -3.581 2.913 16.339 200 2HB LYS 24 2HB LYS 24 -1.860 2.999 15.980 201 1HG LYS 24 1HG LYS 24 -1.832 3.057 18.309 202 2HG LYS 24 2HG LYS 24 -1.840 4.779 17.931 203 1HD LYS 24 1HD LYS 24 -4.403 4.630 18.061 204 2HD LYS 24 2HD LYS 24 -4.160 3.052 18.809 205 1HE LYS 24 1HE LYS 24 -2.945 5.641 19.816 206 2HE LYS 24 2HE LYS 24 -4.382 4.875 20.494 207 1HZ LYS 24 1HZ LYS 24 -1.696 4.311 21.039 208 2HZ LYS 24 2HZ LYS 24 -2.371 2.944 20.292 209 3HZ LYS 24 3HZ LYS 24 -3.078 3.581 21.700 210 H TYR 25 H TYR 25 -1.419 3.617 13.925 211 HA TYR 25 HA TYR 25 0.896 5.241 14.329 212 1HB TYR 25 1HB TYR 25 0.205 3.011 12.433 213 2HB TYR 25 2HB TYR 25 1.728 3.890 12.300 214 HD1 TYR 25 HD1 TYR 25 -0.325 1.724 14.496 215 HD2 TYR 25 HD2 TYR 25 3.469 3.655 13.947 216 HE1 TYR 25 HE1 TYR 25 0.627 0.378 16.347 217 HE2 TYR 25 HE2 TYR 25 4.423 2.312 15.796 218 HH TYR 25 HH TYR 25 4.074 0.536 17.147 219 H ILE 26 H ILE 26 -0.749 4.546 11.236 220 HA ILE 26 HA ILE 26 0.271 6.851 9.945 221 HB ILE 26 HB ILE 26 -2.013 4.988 9.277 222 1HG1 ILE 26 1HG1 ILE 26 -0.399 4.298 7.483 223 2HG1 ILE 26 2HG1 ILE 26 0.792 5.391 8.186 224 1HG2 ILE 26 1HG2 ILE 26 -1.774 6.096 6.965 225 2HG2 ILE 26 2HG2 ILE 26 -0.958 7.410 7.810 226 3HG2 ILE 26 3HG2 ILE 26 -2.630 7.016 8.201 227 1HD1 ILE 26 1HD1 ILE 26 1.045 4.093 10.110 228 2HD1 ILE 26 2HD1 ILE 26 0.799 2.857 8.877 229 3HD1 ILE 26 3HD1 ILE 26 -0.535 3.331 9.929 230 H LYS 27 H LYS 27 -3.136 6.149 10.747 231 HA LYS 27 HA LYS 27 -4.848 7.517 11.439 232 1HB LYS 27 1HB LYS 27 -3.011 8.258 13.095 233 2HB LYS 27 2HB LYS 27 -2.830 9.666 12.049 234 1HG LYS 27 1HG LYS 27 -5.541 9.620 12.314 235 2HG LYS 27 2HG LYS 27 -5.065 8.937 13.868 236 1HD LYS 27 1HD LYS 27 -3.923 11.514 12.751 237 2HD LYS 27 2HD LYS 27 -5.291 11.452 13.861 238 1HE LYS 27 1HE LYS 27 -2.700 10.067 14.541 239 2HE LYS 27 2HE LYS 27 -2.918 11.786 14.866 240 1HZ LYS 27 1HZ LYS 27 -5.213 10.576 15.768 241 2HZ LYS 27 2HZ LYS 27 -3.945 11.187 16.719 242 3HZ LYS 27 3HZ LYS 27 -3.963 9.547 16.271 243 H ASP 28 H ASP 28 -2.516 9.926 10.223 244 HA ASP 28 HA ASP 28 -3.794 10.270 7.707 245 1HB ASP 28 1HB ASP 28 -5.552 11.203 9.244 246 2HB ASP 28 2HB ASP 28 -4.391 12.438 9.727 247 H ILE 29 H ILE 29 -1.816 10.477 6.766 248 HA ILE 29 HA ILE 29 0.189 12.269 7.865 249 HB ILE 29 HB ILE 29 0.416 11.068 5.133 250 1HG1 ILE 29 1HG1 ILE 29 -0.537 9.224 6.365 251 2HG1 ILE 29 2HG1 ILE 29 1.197 8.937 6.227 252 1HG2 ILE 29 1HG2 ILE 29 2.447 11.036 7.357 253 2HG2 ILE 29 2HG2 ILE 29 2.169 12.508 6.428 254 3HG2 ILE 29 3HG2 ILE 29 2.714 11.041 5.614 255 1HD1 ILE 29 1HD1 ILE 29 -0.424 9.635 8.631 256 2HD1 ILE 29 2HD1 ILE 29 1.211 10.289 8.541 257 3HD1 ILE 29 3HD1 ILE 29 0.954 8.548 8.482 258 H ASN 30 H ASN 30 1.144 13.056 5.177 259 HA ASN 30 HA ASN 30 -0.869 14.618 3.899 260 1HB ASN 30 1HB ASN 30 -0.626 15.886 6.032 261 2HB ASN 30 2HB ASN 30 1.071 16.153 5.637 262 1HD2 ASN 30 1HD2 ASN 30 -1.290 16.099 3.031 263 2HD2 ASN 30 2HD2 ASN 30 -1.263 17.768 2.725 264 H ARG 31 H ARG 31 1.645 12.884 3.514 265 HA ARG 31 HA ARG 31 2.737 14.508 1.325 266 1HB ARG 31 1HB ARG 31 4.417 13.142 3.433 267 2HB ARG 31 2HB ARG 31 5.049 13.785 1.923 268 1HG ARG 31 1HG ARG 31 3.557 15.437 3.975 269 2HG ARG 31 2HG ARG 31 5.311 15.326 3.890 270 1HD ARG 31 1HD ARG 31 3.417 16.549 1.888 271 2HD ARG 31 2HD ARG 31 4.808 17.283 2.672 272 HE ARG 31 HE ARG 31 5.837 15.184 1.206 273 1HH1 ARG 31 1HH1 ARG 31 3.911 17.997 0.613 274 2HH1 ARG 31 2HH1 ARG 31 4.496 18.227 -1.000 275 1HH2 ARG 31 1HH2 ARG 31 6.608 15.479 -0.909 276 2HH2 ARG 31 2HH2 ARG 31 6.022 16.801 -1.863 277 H PHE 32 H PHE 32 1.908 13.259 -0.238 278 HA PHE 32 HA PHE 32 3.086 10.606 -0.620 279 1HB PHE 32 1HB PHE 32 0.921 9.572 -1.116 280 2HB PHE 32 2HB PHE 32 0.924 10.180 0.541 281 HD1 PHE 32 HD1 PHE 32 -0.092 12.486 0.991 282 HD2 PHE 32 HD2 PHE 32 -0.668 10.346 -2.689 283 HE1 PHE 32 HE1 PHE 32 -2.059 13.905 0.474 284 HE2 PHE 32 HE2 PHE 32 -2.635 11.765 -3.206 285 HZ PHE 32 HZ PHE 32 -3.331 13.544 -1.625 286 H VAL 33 H VAL 33 3.957 10.721 -2.600 287 HA VAL 33 HA VAL 33 2.475 12.235 -4.675 288 HB VAL 33 HB VAL 33 4.665 12.917 -5.601 289 1HG1 VAL 33 1HG1 VAL 33 3.641 14.553 -4.229 290 2HG1 VAL 33 2HG1 VAL 33 5.279 14.421 -3.590 291 3HG1 VAL 33 3HG1 VAL 33 3.941 13.628 -2.756 292 1HG2 VAL 33 1HG2 VAL 33 5.953 11.004 -4.613 293 2HG2 VAL 33 2HG2 VAL 33 5.782 11.757 -3.030 294 3HG2 VAL 33 3HG2 VAL 33 6.694 12.569 -4.297 295 H PHE 34 H PHE 34 2.469 11.457 -6.732 296 HA PHE 34 HA PHE 34 3.803 8.876 -7.258 297 1HB PHE 34 1HB PHE 34 1.503 8.609 -8.698 298 2HB PHE 34 2HB PHE 34 1.728 7.955 -7.088 299 HD1 PHE 34 HD1 PHE 34 0.054 8.405 -5.536 300 HD2 PHE 34 HD2 PHE 34 0.879 11.249 -8.648 301 HE1 PHE 34 HE1 PHE 34 -1.776 9.856 -4.697 302 HE2 PHE 34 HE2 PHE 34 -0.951 12.701 -7.808 303 HZ PHE 34 HZ PHE 34 -2.279 12.003 -5.832 304 H LYS 35 H LYS 35 5.154 10.859 -8.134 305 HA LYS 35 HA LYS 35 4.391 11.214 -10.975 306 1HB LYS 35 1HB LYS 35 4.313 13.273 -9.294 307 2HB LYS 35 2HB LYS 35 6.051 13.286 -9.595 308 1HG LYS 35 1HG LYS 35 5.447 13.184 -12.096 309 2HG LYS 35 2HG LYS 35 3.808 13.598 -11.595 310 1HD LYS 35 1HD LYS 35 6.317 15.216 -11.063 311 2HD LYS 35 2HD LYS 35 5.004 15.645 -12.160 312 1HE LYS 35 1HE LYS 35 4.960 15.527 -9.146 313 2HE LYS 35 2HE LYS 35 4.532 16.877 -10.196 314 1HZ LYS 35 1HZ LYS 35 2.979 14.516 -9.474 315 2HZ LYS 35 2HZ LYS 35 2.801 15.098 -11.060 316 3HZ LYS 35 3HZ LYS 35 2.468 16.112 -9.737 317 H ASN 36 H ASN 36 5.956 9.092 -10.022 318 HA ASN 36 HA ASN 36 8.367 9.523 -11.565 319 1HB ASN 36 1HB ASN 36 8.634 8.728 -8.658 320 2HB ASN 36 2HB ASN 36 9.938 8.984 -9.815 321 1HD2 ASN 36 1HD2 ASN 36 8.055 10.526 -7.418 322 2HD2 ASN 36 2HD2 ASN 36 8.480 12.128 -7.786 323 H ASN 37 H ASN 37 6.041 7.850 -11.779 324 HA ASN 37 HA ASN 37 5.465 5.677 -12.242 325 1HB ASN 37 1HB ASN 37 8.474 5.348 -12.359 326 2HB ASN 37 2HB ASN 37 7.298 4.177 -12.953 327 1HD2 ASN 37 1HD2 ASN 37 7.797 4.380 -15.207 328 2HD2 ASN 37 2HD2 ASN 37 7.541 5.817 -16.074 329 H VAL 38 H VAL 38 6.272 6.621 -9.421 330 HA VAL 38 HA VAL 38 5.963 4.005 -8.169 331 HB VAL 38 HB VAL 38 8.229 5.867 -7.406 332 1HG1 VAL 38 1HG1 VAL 38 7.182 3.252 -6.313 333 2HG1 VAL 38 2HG1 VAL 38 7.497 4.754 -5.443 334 3HG1 VAL 38 3HG1 VAL 38 8.842 3.776 -6.027 335 1HG2 VAL 38 1HG2 VAL 38 8.821 4.760 -9.457 336 2HG2 VAL 38 2HG2 VAL 38 8.160 3.228 -8.890 337 3HG2 VAL 38 3HG2 VAL 38 9.624 3.881 -8.159 338 H LEU 39 H LEU 39 5.469 4.234 -5.826 339 HA LEU 39 HA LEU 39 4.209 6.852 -5.244 340 1HB LEU 39 1HB LEU 39 3.158 4.083 -5.068 341 2HB LEU 39 2HB LEU 39 2.793 5.117 -3.689 342 HG LEU 39 HG LEU 39 2.038 6.871 -5.395 343 1HD1 LEU 39 1HD1 LEU 39 2.279 4.417 -7.152 344 2HD1 LEU 39 2HD1 LEU 39 2.982 6.010 -7.422 345 3HD1 LEU 39 3HD1 LEU 39 1.240 5.779 -7.565 346 1HD2 LEU 39 1HD2 LEU 39 -0.164 5.648 -5.777 347 2HD2 LEU 39 2HD2 LEU 39 0.375 5.749 -4.101 348 3HD2 LEU 39 3HD2 LEU 39 0.585 4.250 -5.005 349 H LEU 40 H LEU 40 5.222 7.876 -3.657 350 HA LEU 40 HA LEU 40 6.442 6.260 -1.499 351 1HB LEU 40 1HB LEU 40 7.886 7.720 -3.159 352 2HB LEU 40 2HB LEU 40 7.341 9.055 -2.150 353 HG LEU 40 HG LEU 40 8.528 6.575 -0.901 354 1HD1 LEU 40 1HD1 LEU 40 9.963 8.865 -2.237 355 2HD1 LEU 40 2HD1 LEU 40 10.279 7.136 -2.371 356 3HD1 LEU 40 3HD1 LEU 40 10.700 7.997 -0.891 357 1HD2 LEU 40 1HD2 LEU 40 9.334 8.724 0.574 358 2HD2 LEU 40 2HD2 LEU 40 7.836 7.848 0.874 359 3HD2 LEU 40 3HD2 LEU 40 7.811 9.340 -0.064 360 H ILE 41 H ILE 41 6.140 6.923 0.609 361 HA ILE 41 HA ILE 41 4.425 9.266 1.111 362 HB ILE 41 HB ILE 41 3.790 6.479 2.116 363 1HG1 ILE 41 1HG1 ILE 41 2.419 8.267 0.084 364 2HG1 ILE 41 2HG1 ILE 41 3.220 6.733 -0.249 365 1HG2 ILE 41 1HG2 ILE 41 3.260 8.334 3.705 366 2HG2 ILE 41 2HG2 ILE 41 1.816 7.525 3.105 367 3HG2 ILE 41 3HG2 ILE 41 2.285 9.092 2.447 368 1HD1 ILE 41 1HD1 ILE 41 1.588 5.659 1.380 369 2HD1 ILE 41 2HD1 ILE 41 0.877 6.252 -0.122 370 3HD1 ILE 41 3HD1 ILE 41 0.701 7.185 1.364 371 H LEU 42 H LEU 42 4.864 10.279 3.010 372 HA LEU 42 HA LEU 42 7.270 9.714 4.377 373 1HB LEU 42 1HB LEU 42 4.947 11.546 4.900 374 2HB LEU 42 2HB LEU 42 6.228 11.378 6.093 375 HG LEU 42 HG LEU 42 6.506 13.279 4.406 376 1HD1 LEU 42 1HD1 LEU 42 8.802 11.341 4.230 377 2HD1 LEU 42 2HD1 LEU 42 8.353 12.053 5.780 378 3HD1 LEU 42 3HD1 LEU 42 8.836 13.089 4.439 379 1HD2 LEU 42 1HD2 LEU 42 7.439 11.118 2.524 380 2HD2 LEU 42 2HD2 LEU 42 7.097 12.810 2.177 381 3HD2 LEU 42 3HD2 LEU 42 5.773 11.690 2.481 382 H LEU 43 H LEU 43 7.712 8.692 6.257 383 HA LEU 43 HA LEU 43 5.623 7.816 8.058 384 1HB LEU 43 1HB LEU 43 5.610 6.049 6.297 385 2HB LEU 43 2HB LEU 43 7.312 5.742 6.641 386 HG LEU 43 HG LEU 43 6.649 5.322 9.054 387 1HD1 LEU 43 1HD1 LEU 43 4.132 4.586 9.166 388 2HD1 LEU 43 2HD1 LEU 43 3.935 5.681 7.799 389 3HD1 LEU 43 3HD1 LEU 43 4.535 6.293 9.339 390 1HD2 LEU 43 1HD2 LEU 43 6.020 3.054 8.640 391 2HD2 LEU 43 2HD2 LEU 43 7.023 3.539 7.274 392 3HD2 LEU 43 3HD2 LEU 43 5.271 3.468 7.099 393 H GLU 44 H GLU 44 6.579 8.689 9.814 394 HA GLU 44 HA GLU 44 9.449 8.416 10.242 395 1HB GLU 44 1HB GLU 44 8.857 9.688 12.388 396 2HB GLU 44 2HB GLU 44 8.597 10.536 10.864 397 1HG GLU 44 1HG GLU 44 6.246 10.142 10.928 398 2HG GLU 44 2HG GLU 44 6.408 8.951 12.217 399 H ASN 45 H ASN 45 6.431 7.120 11.500 400 HA ASN 45 HA ASN 45 7.161 5.960 13.868 401 1HB ASN 45 1HB ASN 45 5.363 4.988 11.662 402 2HB ASN 45 2HB ASN 45 5.586 4.045 13.134 403 1HD2 ASN 45 1HD2 ASN 45 3.166 5.619 12.114 404 2HD2 ASN 45 2HD2 ASN 45 2.768 6.653 13.401 405 H GLU 46 H GLU 46 8.918 4.835 14.362 406 HA GLU 46 HA GLU 46 10.529 3.455 12.484 407 1HB GLU 46 1HB GLU 46 11.475 4.341 14.539 408 2HB GLU 46 2HB GLU 46 10.443 3.285 15.504 409 1HG GLU 46 1HG GLU 46 11.578 1.334 14.795 410 2HG GLU 46 2HG GLU 46 12.334 2.165 13.437 411 H PHE 47 H PHE 47 8.313 2.249 15.017 412 HA PHE 47 HA PHE 47 8.656 -0.487 14.511 413 1HB PHE 47 1HB PHE 47 6.417 1.146 15.682 414 2HB PHE 47 2HB PHE 47 6.208 -0.585 15.419 415 HD1 PHE 47 HD1 PHE 47 8.379 1.947 17.087 416 HD2 PHE 47 HD2 PHE 47 7.193 -2.176 16.878 417 HE1 PHE 47 HE1 PHE 47 9.649 1.476 19.166 418 HE2 PHE 47 HE2 PHE 47 8.462 -2.647 18.955 419 HZ PHE 47 HZ PHE 47 9.691 -0.822 20.099 420 H ALA 48 H ALA 48 5.901 1.533 13.480 421 HA ALA 48 HA ALA 48 4.603 -0.131 11.777 422 1HB ALA 48 1HB ALA 48 3.952 1.845 10.469 423 2HB ALA 48 2HB ALA 48 5.269 2.764 11.187 424 3HB ALA 48 3HB ALA 48 3.932 2.209 12.192 425 H ARG 49 H ARG 49 6.845 2.228 10.397 426 HA ARG 49 HA ARG 49 7.267 1.266 7.926 427 1HB ARG 49 1HB ARG 49 8.433 3.225 9.096 428 2HB ARG 49 2HB ARG 49 9.633 2.046 9.622 429 1HG ARG 49 1HG ARG 49 10.245 1.518 7.378 430 2HG ARG 49 2HG ARG 49 8.843 2.358 6.719 431 1HD ARG 49 1HD ARG 49 9.750 4.467 7.111 432 2HD ARG 49 2HD ARG 49 10.810 3.887 8.392 433 HE ARG 49 HE ARG 49 11.344 3.804 5.527 434 1HH1 ARG 49 1HH1 ARG 49 12.115 2.685 8.710 435 2HH1 ARG 49 2HH1 ARG 49 13.727 2.203 8.300 436 1HH2 ARG 49 1HH2 ARG 49 13.457 3.177 4.983 437 2HH2 ARG 49 2HH2 ARG 49 14.487 2.481 6.189 438 H ASN 50 H ASN 50 8.663 -0.105 10.867 439 HA ASN 50 HA ASN 50 10.487 -1.878 9.780 440 1HB ASN 50 1HB ASN 50 9.831 -1.344 12.264 441 2HB ASN 50 2HB ASN 50 8.775 -2.742 12.083 442 1HD2 ASN 50 1HD2 ASN 50 12.113 -1.721 12.393 443 2HD2 ASN 50 2HD2 ASN 50 12.786 -3.280 12.407 444 H SER 51 H SER 51 7.132 -2.545 10.719 445 HA SER 51 HA SER 51 6.981 -5.122 9.456 446 1HB SER 51 1HB SER 51 5.609 -3.872 11.438 447 2HB SER 51 2HB SER 51 4.477 -3.715 10.100 448 HG SER 51 HG SER 51 5.418 -6.140 9.943 449 H LEU 52 H LEU 52 5.535 -1.938 8.735 450 HA LEU 52 HA LEU 52 3.977 -2.581 6.578 451 1HB LEU 52 1HB LEU 52 5.560 -0.141 7.274 452 2HB LEU 52 2HB LEU 52 4.785 -0.222 5.694 453 HG LEU 52 HG LEU 52 3.217 -0.893 8.180 454 1HD1 LEU 52 1HD1 LEU 52 4.394 1.421 8.311 455 2HD1 LEU 52 2HD1 LEU 52 2.654 1.361 8.581 456 3HD1 LEU 52 3HD1 LEU 52 3.286 1.892 7.024 457 1HD2 LEU 52 1HD2 LEU 52 2.227 0.524 5.712 458 2HD2 LEU 52 2HD2 LEU 52 1.345 -0.529 6.817 459 3HD2 LEU 52 3HD2 LEU 52 2.488 -1.219 5.668 460 H ASN 53 H ASN 53 7.407 -1.562 6.330 461 HA ASN 53 HA ASN 53 7.533 -2.237 3.562 462 1HB ASN 53 1HB ASN 53 9.671 -1.646 5.616 463 2HB ASN 53 2HB ASN 53 10.037 -1.990 3.926 464 1HD2 ASN 53 1HD2 ASN 53 10.276 0.602 5.551 465 2HD2 ASN 53 2HD2 ASN 53 9.421 1.745 4.631 466 H ASP 54 H ASP 54 7.510 -4.165 6.326 467 HA ASP 54 HA ASP 54 9.288 -6.230 5.403 468 1HB ASP 54 1HB ASP 54 8.475 -5.798 7.823 469 2HB ASP 54 2HB ASP 54 7.020 -6.665 7.339 470 H ASN 55 H ASN 55 5.971 -5.343 4.958 471 HA ASN 55 HA ASN 55 5.659 -7.296 2.833 472 1HB ASN 55 1HB ASN 55 5.016 -8.514 4.950 473 2HB ASN 55 2HB ASN 55 3.709 -7.346 5.144 474 1HD2 ASN 55 1HD2 ASN 55 3.929 -7.527 1.892 475 2HD2 ASN 55 2HD2 ASN 55 2.868 -8.816 1.583 476 H SER 56 H SER 56 5.685 -5.022 1.928 477 HA SER 56 HA SER 56 3.093 -3.645 2.222 478 1HB SER 56 1HB SER 56 4.144 -1.689 1.512 479 2HB SER 56 2HB SER 56 5.421 -2.483 2.427 480 HG SER 56 HG SER 56 5.744 -3.483 0.131 481 H GLU 57 H GLU 57 2.668 -5.887 0.868 482 HA GLU 57 HA GLU 57 3.137 -5.715 -1.948 483 1HB GLU 57 1HB GLU 57 1.359 -7.503 -2.051 484 2HB GLU 57 2HB GLU 57 2.720 -7.880 -0.993 485 1HG GLU 57 1HG GLU 57 1.471 -7.363 0.968 486 2HG GLU 57 2HG GLU 57 0.195 -6.579 0.038 487 H ILE 58 H ILE 58 2.135 -3.256 -1.036 488 HA ILE 58 HA ILE 58 -0.655 -2.966 -1.421 489 HB ILE 58 HB ILE 58 1.392 -0.813 -1.921 490 1HG1 ILE 58 1HG1 ILE 58 2.093 -1.860 0.133 491 2HG1 ILE 58 2HG1 ILE 58 1.212 -0.396 0.569 492 1HG2 ILE 58 1HG2 ILE 58 -1.418 -0.840 -0.790 493 2HG2 ILE 58 2HG2 ILE 58 -0.928 -0.208 -2.361 494 3HG2 ILE 58 3HG2 ILE 58 -0.390 0.589 -0.884 495 1HD1 ILE 58 1HD1 ILE 58 0.332 -2.064 2.007 496 2HD1 ILE 58 2HD1 ILE 58 0.265 -3.259 0.712 497 3HD1 ILE 58 3HD1 ILE 58 -0.870 -1.910 0.726 498 H ILE 59 H ILE 59 1.846 -3.556 -3.648 499 HA ILE 59 HA ILE 59 0.753 -2.151 -5.897 500 HB ILE 59 HB ILE 59 3.051 -2.673 -6.037 501 1HG1 ILE 59 1HG1 ILE 59 1.769 -4.863 -7.696 502 2HG1 ILE 59 2HG1 ILE 59 1.651 -3.156 -8.122 503 1HG2 ILE 59 1HG2 ILE 59 3.810 -5.105 -5.889 504 2HG2 ILE 59 2HG2 ILE 59 2.206 -5.469 -5.255 505 3HG2 ILE 59 3HG2 ILE 59 3.273 -4.374 -4.377 506 1HD1 ILE 59 1HD1 ILE 59 3.868 -4.991 -8.516 507 2HD1 ILE 59 2HD1 ILE 59 4.386 -3.583 -7.591 508 3HD1 ILE 59 3HD1 ILE 59 3.636 -3.374 -9.174 509 H HIS 60 H HIS 60 -0.301 -4.711 -4.127 510 HA HIS 60 HA HIS 60 -1.470 -6.442 -6.148 511 1HB HIS 60 1HB HIS 60 -1.757 -6.138 -3.166 512 2HB HIS 60 2HB HIS 60 -2.749 -7.255 -4.102 513 HD1 HIS 60 HD1 HIS 60 0.845 -6.586 -4.981 514 HD2 HIS 60 HD2 HIS 60 -1.415 -9.576 -3.160 515 HE1 HIS 60 HE1 HIS 60 2.370 -8.594 -4.749 516 HE2 HIS 60 HE2 HIS 60 1.006 -10.427 -3.642 517 H LEU 61 H LEU 61 -2.554 -3.677 -4.228 518 HA LEU 61 HA LEU 61 -5.176 -3.851 -5.600 519 1HB LEU 61 1HB LEU 61 -4.953 -2.036 -3.288 520 2HB LEU 61 2HB LEU 61 -6.201 -3.214 -3.685 521 HG LEU 61 HG LEU 61 -4.348 -4.977 -3.068 522 1HD1 LEU 61 1HD1 LEU 61 -3.430 -2.888 -1.139 523 2HD1 LEU 61 2HD1 LEU 61 -2.775 -2.812 -2.772 524 3HD1 LEU 61 3HD1 LEU 61 -2.556 -4.267 -1.804 525 1HD2 LEU 61 1HD2 LEU 61 -5.032 -4.676 -0.601 526 2HD2 LEU 61 2HD2 LEU 61 -6.336 -4.881 -1.771 527 3HD2 LEU 61 3HD2 LEU 61 -5.951 -3.276 -1.153 528 H ALA 62 H ALA 62 -2.630 -1.617 -4.561 529 HA ALA 62 HA ALA 62 -3.561 0.788 -5.414 530 1HB ALA 62 1HB ALA 62 -1.143 1.279 -6.097 531 2HB ALA 62 2HB ALA 62 -0.797 -0.391 -5.649 532 3HB ALA 62 3HB ALA 62 -1.404 0.738 -4.440 533 H GLU 63 H GLU 63 -2.511 -1.882 -7.454 534 HA GLU 63 HA GLU 63 -2.290 -0.411 -9.855 535 1HB GLU 63 1HB GLU 63 -2.602 -2.677 -10.953 536 2HB GLU 63 2HB GLU 63 -1.297 -2.589 -9.768 537 1HG GLU 63 1HG GLU 63 -2.724 -3.580 -8.059 538 2HG GLU 63 2HG GLU 63 -4.100 -3.569 -9.160 539 H SER 64 H SER 64 -4.694 0.222 -8.355 540 HA SER 64 HA SER 64 -6.676 -0.232 -10.493 541 1HB SER 64 1HB SER 64 -7.521 -1.731 -8.917 542 2HB SER 64 2HB SER 64 -6.974 -0.762 -7.553 543 HG SER 64 HG SER 64 -8.752 0.363 -7.657 544 H LEU 65 H LEU 65 -6.482 1.823 -11.281 545 HA LEU 65 HA LEU 65 -7.976 3.897 -10.735 546 1HB LEU 65 1HB LEU 65 -5.909 3.800 -8.582 547 2HB LEU 65 2HB LEU 65 -6.287 5.379 -9.259 548 HG LEU 65 HG LEU 65 -8.562 3.570 -8.500 549 1HD1 LEU 65 1HD1 LEU 65 -8.516 4.340 -6.215 550 2HD1 LEU 65 2HD1 LEU 65 -7.137 5.391 -6.541 551 3HD1 LEU 65 3HD1 LEU 65 -6.937 3.639 -6.568 552 1HD2 LEU 65 1HD2 LEU 65 -9.746 5.606 -8.322 553 2HD2 LEU 65 2HD2 LEU 65 -8.693 5.850 -9.714 554 3HD2 LEU 65 3HD2 LEU 65 -8.269 6.553 -8.154 555 H TYR 66 H TYR 66 -4.678 2.950 -11.307 556 HA TYR 66 HA TYR 66 -4.349 5.242 -13.155 557 1HB TYR 66 1HB TYR 66 -2.168 3.651 -11.786 558 2HB TYR 66 2HB TYR 66 -1.965 5.100 -12.769 559 HD1 TYR 66 HD1 TYR 66 -1.918 7.194 -11.727 560 HD2 TYR 66 HD2 TYR 66 -3.778 3.889 -9.704 561 HE1 TYR 66 HE1 TYR 66 -2.244 8.607 -9.717 562 HE2 TYR 66 HE2 TYR 66 -4.109 5.308 -7.690 563 HH TYR 66 HH TYR 66 -2.551 7.853 -6.970 564 H GLU 67 H GLU 67 -2.355 4.516 -14.708 565 HA GLU 67 HA GLU 67 -3.477 2.606 -16.469 566 1HB GLU 67 1HB GLU 67 -2.202 4.103 -17.647 567 2HB GLU 67 2HB GLU 67 -1.029 4.289 -16.346 568 1HG GLU 67 1HG GLU 67 0.083 2.271 -16.917 569 2HG GLU 67 2HG GLU 67 -1.242 1.746 -17.957 570 H GLY 68 H GLY 68 -1.224 2.399 -13.834 571 1HA GLY 68 1HA GLY 68 -1.375 -0.239 -13.280 572 2HA GLY 68 2HA GLY 68 -0.196 -0.207 -14.588 573 H ILE 69 H ILE 69 -0.884 0.946 -11.322 574 HA ILE 69 HA ILE 69 1.388 2.374 -10.717 575 HB ILE 69 HB ILE 69 -0.048 0.369 -8.962 576 1HG1 ILE 69 1HG1 ILE 69 -1.299 2.394 -10.019 577 2HG1 ILE 69 2HG1 ILE 69 -1.445 2.132 -8.285 578 1HG2 ILE 69 1HG2 ILE 69 2.007 0.778 -7.879 579 2HG2 ILE 69 2HG2 ILE 69 0.909 1.946 -7.145 580 3HG2 ILE 69 3HG2 ILE 69 2.044 2.465 -8.391 581 1HD1 ILE 69 1HD1 ILE 69 0.796 3.874 -9.226 582 2HD1 ILE 69 2HD1 ILE 69 -0.165 3.971 -7.752 583 3HD1 ILE 69 3HD1 ILE 69 -0.838 4.533 -9.281 584 H LYS 70 H LYS 70 3.359 1.801 -9.632 585 HA LYS 70 HA LYS 70 4.473 -0.749 -10.607 586 1HB LYS 70 1HB LYS 70 5.657 1.297 -11.268 587 2HB LYS 70 2HB LYS 70 5.840 1.745 -9.574 588 1HG LYS 70 1HG LYS 70 7.657 0.417 -9.354 589 2HG LYS 70 2HG LYS 70 6.773 -0.972 -9.983 590 1HD LYS 70 1HD LYS 70 7.232 -0.254 -12.284 591 2HD LYS 70 2HD LYS 70 8.067 1.180 -11.684 592 1HE LYS 70 1HE LYS 70 9.667 -0.614 -12.282 593 2HE LYS 70 2HE LYS 70 9.730 -0.239 -10.560 594 1HZ LYS 70 1HZ LYS 70 8.142 -2.450 -11.744 595 2HZ LYS 70 2HZ LYS 70 8.355 -2.125 -10.090 596 3HZ LYS 70 3HZ LYS 70 9.669 -2.641 -11.034 597 H SER 71 H SER 71 6.200 0.783 -8.143 598 HA SER 71 HA SER 71 5.405 -1.316 -6.227 599 1HB SER 71 1HB SER 71 7.893 0.404 -6.360 600 2HB SER 71 2HB SER 71 7.561 -0.795 -5.114 601 HG SER 71 HG SER 71 7.671 -1.301 -7.909 602 H VAL 72 H VAL 72 5.856 -0.506 -3.862 603 HA VAL 72 HA VAL 72 4.945 2.247 -3.420 604 HB VAL 72 HB VAL 72 3.527 -0.063 -2.088 605 1HG1 VAL 72 1HG1 VAL 72 2.829 2.866 -2.459 606 2HG1 VAL 72 2HG1 VAL 72 3.447 2.142 -0.975 607 3HG1 VAL 72 3HG1 VAL 72 1.858 1.680 -1.587 608 1HG2 VAL 72 1HG2 VAL 72 1.630 0.573 -3.700 609 2HG2 VAL 72 2HG2 VAL 72 2.967 -0.345 -4.391 610 3HG2 VAL 72 3HG2 VAL 72 2.862 1.395 -4.654 611 H ASN 73 H ASN 73 5.611 3.084 -1.442 612 HA ASN 73 HA ASN 73 6.577 1.446 0.686 613 1HB ASN 73 1HB ASN 73 8.360 1.209 -1.136 614 2HB ASN 73 2HB ASN 73 8.762 2.890 -0.797 615 1HD2 ASN 73 1HD2 ASN 73 9.116 3.333 1.687 616 2HD2 ASN 73 2HD2 ASN 73 9.968 2.137 2.538 617 H PHE 74 H PHE 74 7.461 2.614 2.444 618 HA PHE 74 HA PHE 74 7.015 5.536 2.375 619 1HB PHE 74 1HB PHE 74 6.523 4.347 4.994 620 2HB PHE 74 2HB PHE 74 5.508 5.443 4.060 621 HD1 PHE 74 HD1 PHE 74 3.420 4.628 3.415 622 HD2 PHE 74 HD2 PHE 74 6.682 1.875 3.896 623 HE1 PHE 74 HE1 PHE 74 1.908 2.741 2.872 624 HE2 PHE 74 HE2 PHE 74 5.169 -0.012 3.352 625 HZ PHE 74 HZ PHE 74 2.782 0.420 2.839 626 H VAL 75 H VAL 75 8.426 6.758 3.700 627 HA VAL 75 HA VAL 75 10.534 5.293 5.125 628 HB VAL 75 HB VAL 75 12.320 6.439 3.970 629 1HG1 VAL 75 1HG1 VAL 75 10.407 5.344 1.895 630 2HG1 VAL 75 2HG1 VAL 75 11.315 4.321 3.007 631 3HG1 VAL 75 3HG1 VAL 75 12.170 5.328 1.839 632 1HG2 VAL 75 1HG2 VAL 75 10.038 7.778 2.502 633 2HG2 VAL 75 2HG2 VAL 75 11.698 7.804 1.908 634 3HG2 VAL 75 3HG2 VAL 75 11.301 8.555 3.454 635 H ASN 76 H ASN 76 12.234 7.591 5.360 636 HA ASN 76 HA ASN 76 10.600 9.193 7.232 637 1HB ASN 76 1HB ASN 76 13.495 9.491 7.487 638 2HB ASN 76 2HB ASN 76 12.300 9.061 8.707 639 1HD2 ASN 76 1HD2 ASN 76 12.718 7.034 9.564 640 2HD2 ASN 76 2HD2 ASN 76 13.356 5.720 8.700 641 H GLU 77 H GLU 77 11.228 11.460 7.498 642 HA GLU 77 HA GLU 77 10.886 13.071 5.400 643 1HB GLU 77 1HB GLU 77 11.237 13.727 7.835 644 2HB GLU 77 2HB GLU 77 12.962 13.772 7.469 645 1HG GLU 77 1HG GLU 77 12.160 16.004 7.154 646 2HG GLU 77 2HG GLU 77 12.390 15.331 5.541 647 H GLN 78 H GLN 78 14.231 12.675 6.577 648 HA GLN 78 HA GLN 78 15.509 13.726 4.372 649 1HB GLN 78 1HB GLN 78 16.427 11.496 6.200 650 2HB GLN 78 2HB GLN 78 17.476 12.339 5.060 651 1HG GLN 78 1HG GLN 78 17.192 14.423 6.191 652 2HG GLN 78 2HG GLN 78 15.857 13.797 7.156 653 1HE2 GLN 78 1HE2 GLN 78 19.081 12.340 6.477 654 2HE2 GLN 78 2HE2 GLN 78 19.527 12.214 8.110 655 H ASP 79 H ASP 79 14.783 10.282 4.944 656 HA ASP 79 HA ASP 79 15.830 9.241 2.599 657 1HB ASP 79 1HB ASP 79 13.434 8.430 4.235 658 2HB ASP 79 2HB ASP 79 13.957 7.511 2.824 659 H PHE 80 H PHE 80 12.357 10.062 3.060 660 HA PHE 80 HA PHE 80 11.438 9.798 0.516 661 1HB PHE 80 1HB PHE 80 9.864 10.466 2.140 662 2HB PHE 80 2HB PHE 80 10.820 11.867 2.619 663 HD1 PHE 80 HD1 PHE 80 9.698 10.593 -0.735 664 HD2 PHE 80 HD2 PHE 80 9.639 13.818 2.103 665 HE1 PHE 80 HE1 PHE 80 8.450 11.994 -2.354 666 HE2 PHE 80 HE2 PHE 80 8.391 15.219 0.480 667 HZ PHE 80 HZ PHE 80 7.795 14.306 -1.746 668 H PHE 81 H PHE 81 13.061 12.684 1.826 669 HA PHE 81 HA PHE 81 13.022 14.284 -0.445 670 1HB PHE 81 1HB PHE 81 13.977 14.657 2.012 671 2HB PHE 81 2HB PHE 81 15.502 14.251 1.225 672 HD1 PHE 81 HD1 PHE 81 16.616 15.824 -0.159 673 HD2 PHE 81 HD2 PHE 81 12.537 16.505 1.002 674 HE1 PHE 81 HE1 PHE 81 16.721 18.107 -1.124 675 HE2 PHE 81 HE2 PHE 81 12.642 18.787 0.038 676 HZ PHE 81 HZ PHE 81 14.735 19.589 -1.024 677 H PHE 82 H PHE 82 15.805 12.332 0.640 678 HA PHE 82 HA PHE 82 17.551 12.439 -1.357 679 1HB PHE 82 1HB PHE 82 17.800 10.900 0.532 680 2HB PHE 82 2HB PHE 82 16.562 9.846 -0.149 681 HD1 PHE 82 HD1 PHE 82 20.016 11.068 -0.488 682 HD2 PHE 82 HD2 PHE 82 16.993 8.508 -2.151 683 HE1 PHE 82 HE1 PHE 82 21.735 9.936 -1.871 684 HE2 PHE 82 HE2 PHE 82 18.712 7.377 -3.533 685 HZ PHE 82 HZ PHE 82 21.083 8.090 -3.394 686 H ASN 83 H ASN 83 14.485 10.672 -1.568 687 HA ASN 83 HA ASN 83 15.033 9.688 -4.234 688 1HB ASN 83 1HB ASN 83 13.518 8.578 -2.497 689 2HB ASN 83 2HB ASN 83 12.333 9.821 -2.890 690 1HD2 ASN 83 1HD2 ASN 83 14.264 7.188 -4.380 691 2HD2 ASN 83 2HD2 ASN 83 13.186 6.923 -5.664 692 H LEU 84 H LEU 84 12.776 12.103 -2.871 693 HA LEU 84 HA LEU 84 11.932 13.015 -5.448 694 1HB LEU 84 1HB LEU 84 10.326 13.389 -3.797 695 2HB LEU 84 2HB LEU 84 11.519 13.885 -2.605 696 HG LEU 84 HG LEU 84 11.877 16.000 -3.902 697 1HD1 LEU 84 1HD1 LEU 84 10.485 16.574 -5.744 698 2HD1 LEU 84 2HD1 LEU 84 9.385 15.232 -5.435 699 3HD1 LEU 84 3HD1 LEU 84 10.994 14.922 -6.081 700 1HD2 LEU 84 1HD2 LEU 84 10.178 15.692 -2.007 701 2HD2 LEU 84 2HD2 LEU 84 8.949 15.613 -3.270 702 3HD2 LEU 84 3HD2 LEU 84 9.921 17.071 -3.077 703 H ALA 85 H ALA 85 14.744 13.487 -3.644 704 HA ALA 85 HA ALA 85 15.247 16.174 -4.587 705 1HB ALA 85 1HB ALA 85 16.104 15.227 -2.382 706 2HB ALA 85 2HB ALA 85 17.299 16.061 -3.376 707 3HB ALA 85 3HB ALA 85 17.259 14.298 -3.338 708 H LYS 86 H LYS 86 15.807 12.935 -5.630 709 HA LYS 86 HA LYS 86 17.798 13.762 -7.625 710 1HB LYS 86 1HB LYS 86 17.955 11.304 -8.073 711 2HB LYS 86 2HB LYS 86 18.356 11.743 -6.415 712 1HG LYS 86 1HG LYS 86 16.195 11.057 -5.633 713 2HG LYS 86 2HG LYS 86 15.597 10.842 -7.275 714 1HD LYS 86 1HD LYS 86 18.023 9.297 -6.412 715 2HD LYS 86 2HD LYS 86 16.437 8.756 -5.865 716 1HE LYS 86 1HE LYS 86 17.200 9.242 -8.761 717 2HE LYS 86 2HE LYS 86 17.098 7.660 -7.991 718 1HZ LYS 86 1HZ LYS 86 14.972 9.463 -8.822 719 2HZ LYS 86 2HZ LYS 86 14.726 8.641 -7.356 720 3HZ LYS 86 3HZ LYS 86 15.007 7.767 -8.786 721 H LEU 87 H LEU 87 15.004 14.621 -7.797 722 HA LEU 87 HA LEU 87 13.474 13.116 -9.579 723 1HB LEU 87 1HB LEU 87 12.256 15.146 -9.977 724 2HB LEU 87 2HB LEU 87 12.719 15.099 -8.280 725 HG LEU 87 HG LEU 87 13.787 16.845 -10.489 726 1HD1 LEU 87 1HD1 LEU 87 13.433 18.570 -8.838 727 2HD1 LEU 87 2HD1 LEU 87 13.170 17.368 -7.575 728 3HD1 LEU 87 3HD1 LEU 87 11.995 17.551 -8.878 729 1HD2 LEU 87 1HD2 LEU 87 15.668 17.502 -8.987 730 2HD2 LEU 87 2HD2 LEU 87 15.834 15.844 -9.545 731 3HD2 LEU 87 3HD2 LEU 87 15.257 16.173 -7.912 732 H GLU 88 H GLU 88 12.994 15.052 -11.650 733 HA GLU 88 HA GLU 88 14.466 14.062 -13.751 734 1HB GLU 88 1HB GLU 88 12.401 15.541 -13.845 735 2HB GLU 88 2HB GLU 88 13.485 16.916 -13.636 736 1HG GLU 88 1HG GLU 88 14.690 16.348 -15.662 737 2HG GLU 88 2HG GLU 88 13.775 14.852 -15.836 738 H GLU 89 H GLU 89 15.562 16.108 -11.280 739 HA GLU 89 HA GLU 89 17.692 16.887 -10.854 740 1HB GLU 89 1HB GLU 89 18.316 14.975 -12.553 741 2HB GLU 89 2HB GLU 89 18.585 16.318 -13.663 742 1HG GLU 89 1HG GLU 89 20.688 15.948 -12.618 743 2HG GLU 89 2HG GLU 89 20.015 17.364 -11.812 744 H ASN 90 H ASN 90 16.529 18.918 -10.791 745 HA ASN 90 HA ASN 90 17.716 20.894 -12.475 746 1HB ASN 90 1HB ASN 90 15.906 19.937 -13.966 747 2HB ASN 90 2HB ASN 90 14.733 20.563 -12.809 748 1HD2 ASN 90 1HD2 ASN 90 15.559 23.053 -12.157 749 2HD2 ASN 90 2HD2 ASN 90 15.769 24.031 -13.529 750 H SER 91 H SER 91 17.580 22.907 -11.563 751 HA SER 91 HA SER 91 15.570 23.560 -9.596 752 1HB SER 91 1HB SER 91 16.892 22.336 -8.069 753 2HB SER 91 2HB SER 91 18.397 22.916 -8.776 754 HG SER 91 HG SER 91 16.576 24.210 -7.080 755 H ARG 92 H ARG 92 15.752 24.969 -11.733 756 HA ARG 92 HA ARG 92 17.654 27.178 -11.315 757 1HB ARG 92 1HB ARG 92 16.570 25.880 -13.638 758 2HB ARG 92 2HB ARG 92 16.097 27.577 -13.670 759 1HG ARG 92 1HG ARG 92 18.218 27.467 -14.765 760 2HG ARG 92 2HG ARG 92 18.538 28.136 -13.166 761 1HD ARG 92 1HD ARG 92 20.163 26.503 -13.187 762 2HD ARG 92 2HD ARG 92 18.829 25.534 -12.571 763 HE ARG 92 HE ARG 92 18.726 24.430 -14.633 764 1HH1 ARG 92 1HH1 ARG 92 20.836 27.171 -14.723 765 2HH1 ARG 92 2HH1 ARG 92 21.519 26.769 -16.263 766 1HH2 ARG 92 1HH2 ARG 92 19.616 23.896 -16.654 767 2HH2 ARG 92 2HH2 ARG 92 20.828 24.915 -17.356 768 H ASP 93 H ASP 93 16.409 29.290 -12.395 769 HA ASP 93 HA ASP 93 14.723 30.211 -10.334 770 1HB ASP 93 1HB ASP 93 14.228 32.079 -12.030 771 2HB ASP 93 2HB ASP 93 15.905 31.861 -11.534 772 H THR 94 H THR 94 12.838 29.180 -9.958 773 HA THR 94 HA THR 94 10.959 28.851 -12.223 774 HB THR 94 HB THR 94 11.738 26.731 -11.145 775 HG1 THR 94 HG1 THR 94 9.337 27.497 -11.778 776 1HG2 THR 94 1HG2 THR 94 10.050 27.362 -8.763 777 2HG2 THR 94 2HG2 THR 94 11.684 28.027 -8.808 778 3HG2 THR 94 3HG2 THR 94 11.438 26.283 -8.901 779 H LEU 95 H LEU 95 11.146 31.322 -10.969 780 HA LEU 95 HA LEU 95 9.235 31.571 -8.840 781 1HB LEU 95 1HB LEU 95 10.243 33.745 -10.690 782 2HB LEU 95 2HB LEU 95 9.519 33.954 -9.101 783 HG LEU 95 HG LEU 95 11.881 34.170 -8.792 784 1HD1 LEU 95 1HD1 LEU 95 10.535 32.612 -7.231 785 2HD1 LEU 95 2HD1 LEU 95 12.295 32.515 -7.163 786 3HD1 LEU 95 3HD1 LEU 95 11.380 31.291 -8.041 787 1HD2 LEU 95 1HD2 LEU 95 12.204 32.713 -11.046 788 2HD2 LEU 95 2HD2 LEU 95 12.555 31.464 -9.851 789 3HD2 LEU 95 3HD2 LEU 95 13.497 32.952 -9.874 790 H TYR 96 H TYR 96 8.590 30.433 -11.675 791 HA TYR 96 HA TYR 96 6.786 30.390 -13.093 792 1HB TYR 96 1HB TYR 96 5.448 29.866 -11.231 793 2HB TYR 96 2HB TYR 96 5.611 31.482 -10.548 794 HD1 TYR 96 HD1 TYR 96 4.242 29.660 -13.517 795 HD2 TYR 96 HD2 TYR 96 3.981 33.125 -10.991 796 HE1 TYR 96 HE1 TYR 96 2.172 30.361 -14.690 797 HE2 TYR 96 HE2 TYR 96 1.912 33.825 -12.165 798 HH TYR 96 HH TYR 96 0.038 31.973 -13.844 799 H GLN 97 H GLN 97 6.692 31.617 -14.851 800 HA GLN 97 HA GLN 97 5.663 34.295 -14.781 801 1HB GLN 97 1HB GLN 97 7.750 35.280 -15.866 802 2HB GLN 97 2HB GLN 97 7.854 34.957 -14.135 803 1HG GLN 97 1HG GLN 97 8.997 32.835 -14.573 804 2HG GLN 97 2HG GLN 97 8.844 33.091 -16.310 805 1HE2 GLN 97 1HE2 GLN 97 10.638 34.052 -17.269 806 2HE2 GLN 97 2HE2 GLN 97 11.780 35.006 -16.454 807 H ASN 98 H ASN 98 7.297 31.722 -16.542 808 HA ASN 98 HA ASN 98 5.456 31.994 -18.750 809 1HB ASN 98 1HB ASN 98 8.370 32.713 -19.071 810 2HB ASN 98 2HB ASN 98 7.359 32.218 -20.428 811 1HD2 ASN 98 1HD2 ASN 98 5.703 33.699 -21.159 812 2HD2 ASN 98 2HD2 ASN 98 5.605 35.293 -20.584 813 H SER 99 H SER 99 4.887 29.900 -18.787 814 HA SER 99 HA SER 99 6.798 27.939 -19.677 815 1HB SER 99 1HB SER 99 7.336 27.829 -17.321 816 2HB SER 99 2HB SER 99 5.631 27.724 -16.893 817 HG SER 99 HG SER 99 5.792 25.660 -17.196 818 H GLY 100 H GLY 100 3.590 28.635 -18.369 819 1HA GLY 100 1HA GLY 100 2.225 26.337 -19.144 820 2HA GLY 100 2HA GLY 100 1.499 27.937 -19.030 Start of MODEL 5 1 H MET 1 H MET 1 -7.684 15.255 -4.331 2 HA MET 1 HA MET 1 -9.869 15.645 -4.662 3 1HB MET 1 1HB MET 1 -9.329 15.938 -7.168 4 2HB MET 1 2HB MET 1 -9.805 14.250 -7.341 5 1HG MET 1 1HG MET 1 -11.997 14.805 -6.266 6 2HG MET 1 2HG MET 1 -11.517 16.501 -6.245 7 1HE MET 1 1HE MET 1 -10.526 17.632 -8.175 8 2HE MET 1 2HE MET 1 -12.214 18.119 -8.299 9 3HE MET 1 3HE MET 1 -11.326 17.665 -9.751 10 H GLU 2 H GLU 2 -11.021 13.258 -6.540 11 HA GLU 2 HA GLU 2 -11.710 11.590 -4.314 12 1HB GLU 2 1HB GLU 2 -13.014 10.328 -5.875 13 2HB GLU 2 2HB GLU 2 -13.176 12.023 -6.328 14 1HG GLU 2 1HG GLU 2 -11.382 9.955 -7.628 15 2HG GLU 2 2HG GLU 2 -12.787 10.740 -8.342 16 H GLN 3 H GLN 3 -9.296 11.521 -6.825 17 HA GLN 3 HA GLN 3 -8.487 8.959 -7.103 18 1HB GLN 3 1HB GLN 3 -7.336 10.967 -8.031 19 2HB GLN 3 2HB GLN 3 -6.595 11.224 -6.452 20 1HG GLN 3 1HG GLN 3 -5.140 9.473 -6.699 21 2HG GLN 3 2HG GLN 3 -6.319 8.475 -7.546 22 1HE2 GLN 3 1HE2 GLN 3 -6.372 8.580 -9.863 23 2HE2 GLN 3 2HE2 GLN 3 -5.241 9.471 -10.763 24 H PHE 4 H PHE 4 -6.755 10.892 -4.692 25 HA PHE 4 HA PHE 4 -5.718 8.811 -3.210 26 1HB PHE 4 1HB PHE 4 -5.530 11.461 -2.960 27 2HB PHE 4 2HB PHE 4 -6.728 11.185 -1.695 28 HD1 PHE 4 HD1 PHE 4 -3.537 9.646 -2.952 29 HD2 PHE 4 HD2 PHE 4 -5.917 10.746 0.451 30 HE1 PHE 4 HE1 PHE 4 -1.741 8.851 -1.439 31 HE2 PHE 4 HE2 PHE 4 -4.120 9.950 1.964 32 HZ PHE 4 HZ PHE 4 -2.032 9.003 1.019 33 H ASN 5 H ASN 5 -8.897 10.333 -2.862 34 HA ASN 5 HA ASN 5 -9.731 8.824 -0.621 35 1HB ASN 5 1HB ASN 5 -10.792 10.937 -1.696 36 2HB ASN 5 2HB ASN 5 -11.622 9.794 -2.752 37 1HD2 ASN 5 1HD2 ASN 5 -11.356 10.926 0.593 38 2HD2 ASN 5 2HD2 ASN 5 -12.729 10.108 1.162 39 H ALA 6 H ALA 6 -9.501 8.095 -4.009 40 HA ALA 6 HA ALA 6 -11.264 5.794 -3.875 41 1HB ALA 6 1HB ALA 6 -9.420 6.820 -6.041 42 2HB ALA 6 2HB ALA 6 -11.171 6.987 -5.964 43 3HB ALA 6 3HB ALA 6 -10.448 5.399 -6.213 44 H PHE 7 H PHE 7 -7.794 6.114 -4.733 45 HA PHE 7 HA PHE 7 -7.165 3.404 -4.485 46 1HB PHE 7 1HB PHE 7 -5.493 4.674 -5.504 47 2HB PHE 7 2HB PHE 7 -5.545 5.925 -4.266 48 HD1 PHE 7 HD1 PHE 7 -3.363 5.993 -3.374 49 HD2 PHE 7 HD2 PHE 7 -5.326 2.205 -3.883 50 HE1 PHE 7 HE1 PHE 7 -1.512 4.868 -2.166 51 HE2 PHE 7 HE2 PHE 7 -3.477 1.083 -2.674 52 HZ PHE 7 HZ PHE 7 -1.569 2.414 -1.817 53 H LYS 8 H LYS 8 -7.208 5.966 -2.043 54 HA LYS 8 HA LYS 8 -6.129 4.405 0.085 55 1HB LYS 8 1HB LYS 8 -6.240 6.913 0.008 56 2HB LYS 8 2HB LYS 8 -7.971 6.780 0.330 57 1HG LYS 8 1HG LYS 8 -7.616 5.805 2.460 58 2HG LYS 8 2HG LYS 8 -5.931 5.423 2.098 59 1HD LYS 8 1HD LYS 8 -6.176 7.398 3.614 60 2HD LYS 8 2HD LYS 8 -5.346 7.786 2.107 61 1HE LYS 8 1HE LYS 8 -7.181 9.419 2.853 62 2HE LYS 8 2HE LYS 8 -7.271 8.838 1.190 63 1HZ LYS 8 1HZ LYS 8 -8.831 7.121 1.952 64 2HZ LYS 8 2HZ LYS 8 -9.422 8.693 2.213 65 3HZ LYS 8 3HZ LYS 8 -8.799 7.791 3.510 66 H SER 9 H SER 9 -9.474 5.171 -0.910 67 HA SER 9 HA SER 9 -10.659 3.877 1.281 68 1HB SER 9 1HB SER 9 -11.713 4.538 -1.473 69 2HB SER 9 2HB SER 9 -12.713 3.757 -0.250 70 HG SER 9 HG SER 9 -13.027 5.723 0.425 71 H LEU 10 H LEU 10 -9.057 2.667 -1.467 72 HA LEU 10 HA LEU 10 -10.394 0.114 -1.565 73 1HB LEU 10 1HB LEU 10 -9.424 0.404 -3.611 74 2HB LEU 10 2HB LEU 10 -8.153 1.440 -2.982 75 HG LEU 10 HG LEU 10 -8.169 -1.529 -2.410 76 1HD1 LEU 10 1HD1 LEU 10 -8.252 -0.960 -4.932 77 2HD1 LEU 10 2HD1 LEU 10 -6.939 -1.989 -4.378 78 3HD1 LEU 10 3HD1 LEU 10 -6.641 -0.284 -4.697 79 1HD2 LEU 10 1HD2 LEU 10 -6.232 -1.051 -1.346 80 2HD2 LEU 10 2HD2 LEU 10 -6.529 0.659 -1.631 81 3HD2 LEU 10 3HD2 LEU 10 -5.585 -0.272 -2.789 82 H LEU 11 H LEU 11 -7.715 1.568 0.140 83 HA LEU 11 HA LEU 11 -6.509 -0.850 1.060 84 1HB LEU 11 1HB LEU 11 -6.359 2.040 1.821 85 2HB LEU 11 2HB LEU 11 -5.799 0.857 2.998 86 HG LEU 11 HG LEU 11 -4.868 0.623 0.151 87 1HD1 LEU 11 1HD1 LEU 11 -4.383 2.926 0.537 88 2HD1 LEU 11 2HD1 LEU 11 -2.883 2.070 0.892 89 3HD1 LEU 11 3HD1 LEU 11 -3.916 2.623 2.210 90 1HD2 LEU 11 1HD2 LEU 11 -2.869 -0.296 1.282 91 2HD2 LEU 11 2HD2 LEU 11 -4.326 -1.133 1.816 92 3HD2 LEU 11 3HD2 LEU 11 -3.579 0.083 2.851 93 H LYS 12 H LYS 12 -8.994 1.334 2.335 94 HA LYS 12 HA LYS 12 -9.496 0.396 4.854 95 1HB LYS 12 1HB LYS 12 -11.511 0.936 2.660 96 2HB LYS 12 2HB LYS 12 -11.938 0.709 4.357 97 1HG LYS 12 1HG LYS 12 -10.490 2.605 4.981 98 2HG LYS 12 2HG LYS 12 -10.059 2.836 3.286 99 1HD LYS 12 1HD LYS 12 -12.405 3.291 2.729 100 2HD LYS 12 2HD LYS 12 -12.872 3.008 4.406 101 1HE LYS 12 1HE LYS 12 -11.721 4.940 5.167 102 2HE LYS 12 2HE LYS 12 -10.813 5.090 3.662 103 1HZ LYS 12 1HZ LYS 12 -12.697 5.804 2.515 104 2HZ LYS 12 2HZ LYS 12 -12.776 6.637 3.993 105 3HZ LYS 12 3HZ LYS 12 -13.762 5.280 3.726 106 H LYS 13 H LYS 13 -10.686 -1.162 1.871 107 HA LYS 13 HA LYS 13 -11.946 -3.380 2.975 108 1HB LYS 13 1HB LYS 13 -11.404 -2.558 0.447 109 2HB LYS 13 2HB LYS 13 -10.254 -3.878 0.585 110 1HG LYS 13 1HG LYS 13 -12.029 -5.164 -0.062 111 2HG LYS 13 2HG LYS 13 -12.466 -5.076 1.640 112 1HD LYS 13 1HD LYS 13 -13.417 -3.057 -0.415 113 2HD LYS 13 2HD LYS 13 -14.329 -4.505 0.005 114 1HE LYS 13 1HE LYS 13 -15.231 -2.829 1.407 115 2HE LYS 13 2HE LYS 13 -14.120 -3.708 2.453 116 1HZ LYS 13 1HZ LYS 13 -14.102 -1.014 1.939 117 2HZ LYS 13 2HZ LYS 13 -12.798 -1.622 1.037 118 3HZ LYS 13 3HZ LYS 13 -12.879 -1.902 2.710 119 H HIS 14 H HIS 14 -8.556 -2.866 2.197 120 HA HIS 14 HA HIS 14 -7.607 -5.440 2.986 121 1HB HIS 14 1HB HIS 14 -6.492 -3.663 1.486 122 2HB HIS 14 2HB HIS 14 -5.956 -2.927 2.992 123 HD1 HIS 14 HD1 HIS 14 -3.532 -3.586 3.139 124 HD2 HIS 14 HD2 HIS 14 -5.968 -6.827 2.159 125 HE1 HIS 14 HE1 HIS 14 -2.043 -5.636 3.155 126 HE2 HIS 14 HE2 HIS 14 -3.515 -7.618 2.562 127 H TYR 15 H TYR 15 -7.129 -2.256 4.544 128 HA TYR 15 HA TYR 15 -6.470 -3.570 7.061 129 1HB TYR 15 1HB TYR 15 -6.257 -0.787 5.957 130 2HB TYR 15 2HB TYR 15 -6.206 -1.029 7.702 131 HD1 TYR 15 HD1 TYR 15 -3.940 -0.631 8.253 132 HD2 TYR 15 HD2 TYR 15 -4.897 -3.279 5.007 133 HE1 TYR 15 HE1 TYR 15 -1.560 -1.307 8.095 134 HE2 TYR 15 HE2 TYR 15 -2.520 -3.951 4.855 135 HH TYR 15 HH TYR 15 -0.530 -3.987 6.193 136 H GLU 16 H GLU 16 -9.235 -3.674 6.019 137 HA GLU 16 HA GLU 16 -11.064 -1.948 7.046 138 1HB GLU 16 1HB GLU 16 -11.618 -4.040 5.831 139 2HB GLU 16 2HB GLU 16 -11.244 -4.960 7.289 140 1HG GLU 16 1HG GLU 16 -12.998 -3.775 8.522 141 2HG GLU 16 2HG GLU 16 -13.347 -2.784 7.108 142 H LYS 17 H LYS 17 -10.232 -4.865 8.916 143 HA LYS 17 HA LYS 17 -11.077 -3.655 11.378 144 1HB LYS 17 1HB LYS 17 -9.666 -6.250 10.739 145 2HB LYS 17 2HB LYS 17 -10.116 -5.774 12.376 146 1HG LYS 17 1HG LYS 17 -12.428 -5.830 11.885 147 2HG LYS 17 2HG LYS 17 -12.148 -5.788 10.144 148 1HD LYS 17 1HD LYS 17 -12.809 -8.057 10.996 149 2HD LYS 17 2HD LYS 17 -11.246 -8.040 10.178 150 1HE LYS 17 1HE LYS 17 -11.364 -9.293 12.423 151 2HE LYS 17 2HE LYS 17 -10.049 -8.134 12.225 152 1HZ LYS 17 1HZ LYS 17 -11.664 -8.128 14.315 153 2HZ LYS 17 2HZ LYS 17 -12.551 -7.100 13.294 154 3HZ LYS 17 3HZ LYS 17 -10.949 -6.715 13.709 155 H THR 18 H THR 18 -8.065 -3.948 9.672 156 HA THR 18 HA THR 18 -6.349 -3.493 11.918 157 HB THR 18 HB THR 18 -5.595 -2.785 9.097 158 HG1 THR 18 HG1 THR 18 -5.119 -5.087 8.922 159 1HG2 THR 18 1HG2 THR 18 -4.099 -2.628 11.227 160 2HG2 THR 18 2HG2 THR 18 -3.434 -3.390 9.783 161 3HG2 THR 18 3HG2 THR 18 -4.032 -4.386 11.109 162 H ILE 19 H ILE 19 -8.451 -1.640 11.996 163 HA ILE 19 HA ILE 19 -7.690 0.880 10.892 164 HB ILE 19 HB ILE 19 -10.018 0.358 11.494 165 1HG1 ILE 19 1HG1 ILE 19 -10.322 2.463 13.076 166 2HG1 ILE 19 2HG1 ILE 19 -8.607 2.699 12.754 167 1HG2 ILE 19 1HG2 ILE 19 -10.737 -0.088 13.664 168 2HG2 ILE 19 2HG2 ILE 19 -9.334 0.679 14.403 169 3HG2 ILE 19 3HG2 ILE 19 -9.175 -0.904 13.639 170 1HD1 ILE 19 1HD1 ILE 19 -9.851 3.938 11.093 171 2HD1 ILE 19 2HD1 ILE 19 -10.838 2.527 10.712 172 3HD1 ILE 19 3HD1 ILE 19 -9.126 2.545 10.292 173 H GLY 20 H GLY 20 -7.764 -0.175 14.314 174 1HA GLY 20 1HA GLY 20 -6.616 1.734 15.708 175 2HA GLY 20 2HA GLY 20 -6.047 0.081 15.906 176 H PHE 21 H PHE 21 -4.786 -0.209 13.372 177 HA PHE 21 HA PHE 21 -2.280 1.087 13.940 178 1HB PHE 21 1HB PHE 21 -2.400 -1.206 13.018 179 2HB PHE 21 2HB PHE 21 -3.106 -0.559 11.537 180 HD1 PHE 21 HD1 PHE 21 -1.722 0.220 9.803 181 HD2 PHE 21 HD2 PHE 21 -0.107 -0.246 13.755 182 HE1 PHE 21 HE1 PHE 21 0.548 0.700 8.933 183 HE2 PHE 21 HE2 PHE 21 2.163 0.238 12.885 184 HZ PHE 21 HZ PHE 21 2.489 0.708 10.473 185 H HIS 22 H HIS 22 -4.657 1.266 11.294 186 HA HIS 22 HA HIS 22 -3.306 3.332 9.884 187 1HB HIS 22 1HB HIS 22 -5.126 1.751 8.991 188 2HB HIS 22 2HB HIS 22 -6.282 2.809 9.798 189 HD1 HIS 22 HD1 HIS 22 -6.228 5.389 9.019 190 HD2 HIS 22 HD2 HIS 22 -4.234 2.703 6.530 191 HE1 HIS 22 HE1 HIS 22 -5.898 6.573 6.804 192 HE2 HIS 22 HE2 HIS 22 -4.686 4.948 5.276 193 H ASP 23 H ASP 23 -5.126 3.360 12.758 194 HA ASP 23 HA ASP 23 -5.782 6.213 12.520 195 1HB ASP 23 1HB ASP 23 -7.166 4.250 13.719 196 2HB ASP 23 2HB ASP 23 -6.148 4.714 15.079 197 H LYS 24 H LYS 24 -3.203 4.323 13.255 198 HA LYS 24 HA LYS 24 -2.070 5.959 15.405 199 1HB LYS 24 1HB LYS 24 -1.886 3.329 14.957 200 2HB LYS 24 2HB LYS 24 -0.502 3.850 14.000 201 1HG LYS 24 1HG LYS 24 0.481 3.570 16.096 202 2HG LYS 24 2HG LYS 24 0.071 5.284 16.139 203 1HD LYS 24 1HD LYS 24 -0.821 4.591 18.170 204 2HD LYS 24 2HD LYS 24 -2.224 4.381 17.121 205 1HE LYS 24 1HE LYS 24 -1.345 1.975 16.754 206 2HE LYS 24 2HE LYS 24 -0.329 2.275 18.162 207 1HZ LYS 24 1HZ LYS 24 -2.311 2.817 19.432 208 2HZ LYS 24 2HZ LYS 24 -2.416 1.247 18.792 209 3HZ LYS 24 3HZ LYS 24 -3.286 2.519 18.077 210 H TYR 25 H TYR 25 -0.594 4.819 12.343 211 HA TYR 25 HA TYR 25 0.678 7.487 12.183 212 1HB TYR 25 1HB TYR 25 1.715 5.033 10.788 213 2HB TYR 25 2HB TYR 25 2.585 6.499 11.244 214 HD1 TYR 25 HD1 TYR 25 1.840 3.154 12.179 215 HD2 TYR 25 HD2 TYR 25 2.643 7.043 13.816 216 HE1 TYR 25 HE1 TYR 25 2.476 2.113 14.338 217 HE2 TYR 25 HE2 TYR 25 3.279 6.003 15.975 218 HH TYR 25 HH TYR 25 4.212 3.209 16.464 219 H ILE 26 H ILE 26 -0.268 4.854 9.935 220 HA ILE 26 HA ILE 26 -0.174 6.169 7.564 221 HB ILE 26 HB ILE 26 -2.632 4.554 8.174 222 1HG1 ILE 26 1HG1 ILE 26 -0.909 3.315 9.321 223 2HG1 ILE 26 2HG1 ILE 26 -1.172 2.518 7.772 224 1HG2 ILE 26 1HG2 ILE 26 -2.305 5.437 5.904 225 2HG2 ILE 26 2HG2 ILE 26 -2.157 3.679 5.910 226 3HG2 ILE 26 3HG2 ILE 26 -0.711 4.687 5.832 227 1HD1 ILE 26 1HD1 ILE 26 1.158 2.657 7.848 228 2HD1 ILE 26 2HD1 ILE 26 1.139 4.225 8.650 229 3HD1 ILE 26 3HD1 ILE 26 0.744 4.107 6.936 230 H LYS 27 H LYS 27 -2.890 6.260 9.839 231 HA LYS 27 HA LYS 27 -4.900 7.530 9.556 232 1HB LYS 27 1HB LYS 27 -3.155 8.413 11.268 233 2HB LYS 27 2HB LYS 27 -2.918 9.720 10.109 234 1HG LYS 27 1HG LYS 27 -5.401 10.120 10.150 235 2HG LYS 27 2HG LYS 27 -5.525 8.921 11.437 236 1HD LYS 27 1HD LYS 27 -4.247 10.240 12.943 237 2HD LYS 27 2HD LYS 27 -3.667 11.293 11.651 238 1HE LYS 27 1HE LYS 27 -5.985 12.104 11.295 239 2HE LYS 27 2HE LYS 27 -6.530 11.091 12.631 240 1HZ LYS 27 1HZ LYS 27 -5.068 12.294 14.112 241 2HZ LYS 27 2HZ LYS 27 -6.117 13.376 13.329 242 3HZ LYS 27 3HZ LYS 27 -4.497 13.248 12.831 243 H ASP 28 H ASP 28 -4.060 10.537 9.019 244 HA ASP 28 HA ASP 28 -4.291 10.391 6.069 245 1HB ASP 28 1HB ASP 28 -6.418 11.053 7.348 246 2HB ASP 28 2HB ASP 28 -5.566 12.541 7.759 247 H ILE 29 H ILE 29 -1.854 10.542 6.495 248 HA ILE 29 HA ILE 29 -0.644 12.853 7.514 249 HB ILE 29 HB ILE 29 0.569 11.448 5.161 250 1HG1 ILE 29 1HG1 ILE 29 0.042 10.243 7.893 251 2HG1 ILE 29 2HG1 ILE 29 -0.426 9.589 6.324 252 1HG2 ILE 29 1HG2 ILE 29 1.773 12.048 7.865 253 2HG2 ILE 29 2HG2 ILE 29 1.638 13.300 6.631 254 3HG2 ILE 29 3HG2 ILE 29 2.592 11.852 6.314 255 1HD1 ILE 29 1HD1 ILE 29 2.348 9.801 7.499 256 2HD1 ILE 29 2HD1 ILE 29 2.083 9.544 5.775 257 3HD1 ILE 29 3HD1 ILE 29 1.506 8.355 6.942 258 H ASN 30 H ASN 30 0.964 13.386 5.018 259 HA ASN 30 HA ASN 30 -0.798 14.602 3.120 260 1HB ASN 30 1HB ASN 30 -0.170 16.957 3.629 261 2HB ASN 30 2HB ASN 30 -1.155 16.220 4.891 262 1HD2 ASN 30 1HD2 ASN 30 0.262 18.336 5.801 263 2HD2 ASN 30 2HD2 ASN 30 1.633 17.848 6.676 264 H ARG 31 H ARG 31 1.726 12.954 3.455 265 HA ARG 31 HA ARG 31 3.310 14.436 1.459 266 1HB ARG 31 1HB ARG 31 4.204 13.429 4.112 267 2HB ARG 31 2HB ARG 31 5.301 13.160 2.757 268 1HG ARG 31 1HG ARG 31 4.080 15.878 3.183 269 2HG ARG 31 2HG ARG 31 5.482 15.385 4.130 270 1HD ARG 31 1HD ARG 31 6.720 14.904 2.054 271 2HD ARG 31 2HD ARG 31 5.324 15.397 1.101 272 HE ARG 31 HE ARG 31 7.200 17.142 2.440 273 1HH1 ARG 31 1HH1 ARG 31 3.996 16.735 1.198 274 2HH1 ARG 31 2HH1 ARG 31 3.722 18.429 0.964 275 1HH2 ARG 31 1HH2 ARG 31 6.849 19.366 2.134 276 2HH2 ARG 31 2HH2 ARG 31 5.338 19.919 1.494 277 H PHE 32 H PHE 32 2.389 13.161 -0.104 278 HA PHE 32 HA PHE 32 3.663 10.557 -0.469 279 1HB PHE 32 1HB PHE 32 1.523 9.472 -1.062 280 2HB PHE 32 2HB PHE 32 1.545 9.963 0.632 281 HD1 PHE 32 HD1 PHE 32 0.172 11.809 1.432 282 HD2 PHE 32 HD2 PHE 32 0.167 10.680 -2.713 283 HE1 PHE 32 HE1 PHE 32 -1.859 13.184 1.059 284 HE2 PHE 32 HE2 PHE 32 -1.863 12.055 -3.086 285 HZ PHE 32 HZ PHE 32 -2.876 13.307 -1.200 286 H VAL 33 H VAL 33 4.412 10.482 -2.493 287 HA VAL 33 HA VAL 33 2.999 12.071 -4.556 288 HB VAL 33 HB VAL 33 5.175 12.716 -5.494 289 1HG1 VAL 33 1HG1 VAL 33 3.970 14.073 -3.703 290 2HG1 VAL 33 2HG1 VAL 33 5.699 14.387 -3.857 291 3HG1 VAL 33 3HG1 VAL 33 5.099 13.378 -2.541 292 1HG2 VAL 33 1HG2 VAL 33 6.243 11.242 -3.065 293 2HG2 VAL 33 2HG2 VAL 33 7.213 12.317 -4.072 294 3HG2 VAL 33 3HG2 VAL 33 6.534 10.841 -4.758 295 H PHE 34 H PHE 34 2.894 11.226 -6.573 296 HA PHE 34 HA PHE 34 4.206 8.632 -7.079 297 1HB PHE 34 1HB PHE 34 2.019 7.966 -8.233 298 2HB PHE 34 2HB PHE 34 2.006 7.978 -6.469 299 HD1 PHE 34 HD1 PHE 34 0.623 9.439 -9.480 300 HD2 PHE 34 HD2 PHE 34 1.061 9.946 -5.239 301 HE1 PHE 34 HE1 PHE 34 -1.229 11.094 -9.489 302 HE2 PHE 34 HE2 PHE 34 -0.790 11.602 -5.244 303 HZ PHE 34 HZ PHE 34 -1.934 12.175 -7.370 304 H LYS 35 H LYS 35 5.404 10.729 -8.056 305 HA LYS 35 HA LYS 35 4.514 10.951 -10.875 306 1HB LYS 35 1HB LYS 35 4.383 13.074 -9.444 307 2HB LYS 35 2HB LYS 35 6.147 13.031 -9.420 308 1HG LYS 35 1HG LYS 35 6.083 12.918 -11.950 309 2HG LYS 35 2HG LYS 35 4.351 13.238 -11.849 310 1HD LYS 35 1HD LYS 35 4.839 15.331 -10.592 311 2HD LYS 35 2HD LYS 35 6.564 15.023 -10.795 312 1HE LYS 35 1HE LYS 35 4.513 15.683 -12.905 313 2HE LYS 35 2HE LYS 35 6.048 16.486 -12.575 314 1HZ LYS 35 1HZ LYS 35 7.212 14.520 -13.331 315 2HZ LYS 35 2HZ LYS 35 6.166 15.082 -14.546 316 3HZ LYS 35 3HZ LYS 35 5.743 13.723 -13.618 317 H ASN 36 H ASN 36 6.001 8.815 -10.331 318 HA ASN 36 HA ASN 36 8.320 9.168 -11.911 319 1HB ASN 36 1HB ASN 36 9.869 8.411 -9.891 320 2HB ASN 36 2HB ASN 36 9.552 10.115 -10.203 321 1HD2 ASN 36 1HD2 ASN 36 9.785 10.679 -7.919 322 2HD2 ASN 36 2HD2 ASN 36 8.600 10.247 -6.785 323 H ASN 37 H ASN 37 6.329 7.466 -12.258 324 HA ASN 37 HA ASN 37 5.656 5.263 -12.344 325 1HB ASN 37 1HB ASN 37 7.204 3.946 -13.452 326 2HB ASN 37 2HB ASN 37 7.870 5.553 -13.728 327 1HD2 ASN 37 1HD2 ASN 37 9.718 6.218 -12.297 328 2HD2 ASN 37 2HD2 ASN 37 10.696 5.021 -11.597 329 H VAL 38 H VAL 38 6.607 6.363 -9.605 330 HA VAL 38 HA VAL 38 6.424 3.781 -8.251 331 HB VAL 38 HB VAL 38 8.688 5.729 -7.768 332 1HG1 VAL 38 1HG1 VAL 38 8.031 4.847 -5.645 333 2HG1 VAL 38 2HG1 VAL 38 9.401 3.866 -6.166 334 3HG1 VAL 38 3HG1 VAL 38 7.760 3.240 -6.319 335 1HG2 VAL 38 1HG2 VAL 38 10.014 3.625 -8.358 336 2HG2 VAL 38 2HG2 VAL 38 9.165 4.399 -9.694 337 3HG2 VAL 38 3HG2 VAL 38 8.495 2.951 -8.946 338 H LEU 39 H LEU 39 5.957 4.006 -5.944 339 HA LEU 39 HA LEU 39 4.688 6.603 -5.322 340 1HB LEU 39 1HB LEU 39 3.728 3.810 -4.717 341 2HB LEU 39 2HB LEU 39 3.047 5.255 -3.974 342 HG LEU 39 HG LEU 39 2.884 6.060 -6.504 343 1HD1 LEU 39 1HD1 LEU 39 4.043 3.897 -7.224 344 2HD1 LEU 39 2HD1 LEU 39 2.567 4.326 -8.082 345 3HD1 LEU 39 3HD1 LEU 39 2.530 3.088 -6.827 346 1HD2 LEU 39 1HD2 LEU 39 1.048 4.195 -5.003 347 2HD2 LEU 39 2HD2 LEU 39 0.597 4.851 -6.576 348 3HD2 LEU 39 3HD2 LEU 39 0.900 5.939 -5.221 349 H LEU 40 H LEU 40 5.609 7.606 -3.658 350 HA LEU 40 HA LEU 40 6.852 5.969 -1.530 351 1HB LEU 40 1HB LEU 40 8.059 7.881 -3.196 352 2HB LEU 40 2HB LEU 40 7.794 8.740 -1.684 353 HG LEU 40 HG LEU 40 9.021 5.983 -1.655 354 1HD1 LEU 40 1HD1 LEU 40 11.251 7.241 -1.620 355 2HD1 LEU 40 2HD1 LEU 40 10.370 8.614 -2.290 356 3HD1 LEU 40 3HD1 LEU 40 10.461 7.100 -3.191 357 1HD2 LEU 40 1HD2 LEU 40 9.235 8.444 0.109 358 2HD2 LEU 40 2HD2 LEU 40 10.099 6.934 0.382 359 3HD2 LEU 40 3HD2 LEU 40 8.339 6.972 0.484 360 H ILE 41 H ILE 41 6.429 6.534 0.594 361 HA ILE 41 HA ILE 41 4.607 8.807 1.065 362 HB ILE 41 HB ILE 41 4.103 5.988 2.039 363 1HG1 ILE 41 1HG1 ILE 41 2.525 7.743 0.130 364 2HG1 ILE 41 2HG1 ILE 41 3.557 6.401 -0.366 365 1HG2 ILE 41 1HG2 ILE 41 2.620 8.597 2.484 366 2HG2 ILE 41 2HG2 ILE 41 3.449 7.643 3.714 367 3HG2 ILE 41 3HG2 ILE 41 2.001 7.010 2.936 368 1HD1 ILE 41 1HD1 ILE 41 1.341 5.514 -0.260 369 2HD1 ILE 41 2HD1 ILE 41 1.038 6.276 1.302 370 3HD1 ILE 41 3HD1 ILE 41 2.168 4.927 1.184 371 H LEU 42 H LEU 42 4.944 9.877 2.892 372 HA LEU 42 HA LEU 42 7.306 9.621 4.347 373 1HB LEU 42 1HB LEU 42 5.146 11.412 4.210 374 2HB LEU 42 2HB LEU 42 5.217 10.919 5.895 375 HG LEU 42 HG LEU 42 6.629 12.843 5.666 376 1HD1 LEU 42 1HD1 LEU 42 8.436 12.007 6.780 377 2HD1 LEU 42 2HD1 LEU 42 8.787 10.807 5.539 378 3HD1 LEU 42 3HD1 LEU 42 7.517 10.505 6.724 379 1HD2 LEU 42 1HD2 LEU 42 8.692 12.112 3.901 380 2HD2 LEU 42 2HD2 LEU 42 7.438 13.314 3.615 381 3HD2 LEU 42 3HD2 LEU 42 7.206 11.653 3.071 382 H LEU 43 H LEU 43 7.906 8.496 6.096 383 HA LEU 43 HA LEU 43 6.000 7.511 8.028 384 1HB LEU 43 1HB LEU 43 5.807 5.744 6.355 385 2HB LEU 43 2HB LEU 43 7.560 5.536 6.344 386 HG LEU 43 HG LEU 43 7.448 4.993 8.797 387 1HD1 LEU 43 1HD1 LEU 43 5.008 4.219 9.440 388 2HD1 LEU 43 2HD1 LEU 43 4.525 5.403 8.227 389 3HD1 LEU 43 3HD1 LEU 43 5.470 5.909 9.627 390 1HD2 LEU 43 1HD2 LEU 43 5.756 3.250 6.986 391 2HD2 LEU 43 2HD2 LEU 43 6.539 2.733 8.479 392 3HD2 LEU 43 3HD2 LEU 43 7.515 3.214 7.094 393 H GLU 44 H GLU 44 7.026 8.244 9.785 394 HA GLU 44 HA GLU 44 9.940 8.114 9.972 395 1HB GLU 44 1HB GLU 44 7.995 9.149 12.040 396 2HB GLU 44 2HB GLU 44 9.718 9.503 11.905 397 1HG GLU 44 1HG GLU 44 9.270 10.562 9.678 398 2HG GLU 44 2HG GLU 44 7.546 10.323 9.958 399 H ASN 45 H ASN 45 7.109 6.961 11.805 400 HA ASN 45 HA ASN 45 8.249 5.608 13.868 401 1HB ASN 45 1HB ASN 45 5.904 4.892 12.126 402 2HB ASN 45 2HB ASN 45 6.379 3.861 13.475 403 1HD2 ASN 45 1HD2 ASN 45 5.284 7.165 12.663 404 2HD2 ASN 45 2HD2 ASN 45 4.732 7.535 14.225 405 H GLU 46 H GLU 46 9.862 4.212 13.997 406 HA GLU 46 HA GLU 46 10.940 2.836 11.756 407 1HB GLU 46 1HB GLU 46 12.401 3.407 13.572 408 2HB GLU 46 2HB GLU 46 11.397 2.536 14.730 409 1HG GLU 46 1HG GLU 46 12.025 0.428 13.878 410 2HG GLU 46 2HG GLU 46 12.615 1.117 12.365 411 H PHE 47 H PHE 47 8.726 1.910 14.344 412 HA PHE 47 HA PHE 47 8.746 -0.878 13.876 413 1HB PHE 47 1HB PHE 47 6.656 0.965 15.050 414 2HB PHE 47 2HB PHE 47 6.467 -0.788 14.985 415 HD1 PHE 47 HD1 PHE 47 8.637 1.949 16.277 416 HD2 PHE 47 HD2 PHE 47 7.594 -2.210 16.529 417 HE1 PHE 47 HE1 PHE 47 10.023 1.725 18.322 418 HE2 PHE 47 HE2 PHE 47 8.980 -2.434 18.574 419 HZ PHE 47 HZ PHE 47 10.195 -0.466 19.470 420 H ALA 48 H ALA 48 6.123 1.392 13.068 421 HA ALA 48 HA ALA 48 4.626 -0.110 11.373 422 1HB ALA 48 1HB ALA 48 4.285 2.098 10.061 423 2HB ALA 48 2HB ALA 48 5.375 2.802 11.253 424 3HB ALA 48 3HB ALA 48 3.855 2.077 11.771 425 H ARG 49 H ARG 49 7.644 1.534 10.599 426 HA ARG 49 HA ARG 49 7.632 0.865 7.817 427 1HB ARG 49 1HB ARG 49 8.950 2.724 9.051 428 2HB ARG 49 2HB ARG 49 10.108 1.450 9.429 429 1HG ARG 49 1HG ARG 49 10.709 1.144 7.195 430 2HG ARG 49 2HG ARG 49 9.189 1.797 6.585 431 1HD ARG 49 1HD ARG 49 11.350 3.261 6.423 432 2HD ARG 49 2HD ARG 49 9.841 4.013 6.936 433 HE ARG 49 HE ARG 49 10.752 4.290 9.062 434 1HH1 ARG 49 1HH1 ARG 49 12.655 2.126 7.143 435 2HH1 ARG 49 2HH1 ARG 49 13.971 2.068 8.267 436 1HH2 ARG 49 1HH2 ARG 49 12.476 4.218 10.539 437 2HH2 ARG 49 2HH2 ARG 49 13.869 3.251 10.190 438 H ASN 50 H ASN 50 9.015 -0.580 10.718 439 HA ASN 50 HA ASN 50 10.702 -2.467 9.654 440 1HB ASN 50 1HB ASN 50 10.290 -1.985 12.084 441 2HB ASN 50 2HB ASN 50 8.840 -2.982 11.972 442 1HD2 ASN 50 1HD2 ASN 50 12.312 -3.063 12.245 443 2HD2 ASN 50 2HD2 ASN 50 12.474 -4.753 12.223 444 H SER 51 H SER 51 7.233 -2.779 10.331 445 HA SER 51 HA SER 51 7.002 -5.401 9.106 446 1HB SER 51 1HB SER 51 5.525 -3.807 10.958 447 2HB SER 51 2HB SER 51 4.458 -4.278 9.638 448 HG SER 51 HG SER 51 4.697 -6.333 10.166 449 H LEU 52 H LEU 52 5.837 -2.100 8.359 450 HA LEU 52 HA LEU 52 4.208 -2.703 6.207 451 1HB LEU 52 1HB LEU 52 5.923 -0.310 6.812 452 2HB LEU 52 2HB LEU 52 4.980 -0.390 5.327 453 HG LEU 52 HG LEU 52 3.726 -0.915 8.030 454 1HD1 LEU 52 1HD1 LEU 52 3.761 1.745 6.578 455 2HD1 LEU 52 2HD1 LEU 52 4.822 1.365 7.932 456 3HD1 LEU 52 3HD1 LEU 52 3.077 1.400 8.166 457 1HD2 LEU 52 1HD2 LEU 52 2.742 -0.306 5.238 458 2HD2 LEU 52 2HD2 LEU 52 1.723 0.014 6.640 459 3HD2 LEU 52 3HD2 LEU 52 2.273 -1.626 6.310 460 H ASN 53 H ASN 53 7.720 -2.054 6.132 461 HA ASN 53 HA ASN 53 7.846 -2.654 3.317 462 1HB ASN 53 1HB ASN 53 9.403 -1.045 4.442 463 2HB ASN 53 2HB ASN 53 10.132 -2.409 5.288 464 1HD2 ASN 53 1HD2 ASN 53 12.121 -2.755 4.268 465 2HD2 ASN 53 2HD2 ASN 53 12.332 -2.878 2.589 466 H ASP 54 H ASP 54 7.719 -4.523 6.123 467 HA ASP 54 HA ASP 54 9.366 -6.711 5.270 468 1HB ASP 54 1HB ASP 54 8.627 -6.260 7.653 469 2HB ASP 54 2HB ASP 54 7.033 -6.846 7.186 470 H ASN 55 H ASN 55 6.110 -5.653 4.723 471 HA ASN 55 HA ASN 55 5.733 -7.723 2.700 472 1HB ASN 55 1HB ASN 55 3.608 -7.328 4.806 473 2HB ASN 55 2HB ASN 55 3.698 -8.582 3.571 474 1HD2 ASN 55 1HD2 ASN 55 5.065 -7.520 6.674 475 2HD2 ASN 55 2HD2 ASN 55 5.835 -8.991 7.027 476 H SER 56 H SER 56 6.183 -5.264 1.970 477 HA SER 56 HA SER 56 3.847 -3.581 1.927 478 1HB SER 56 1HB SER 56 6.554 -3.469 0.621 479 2HB SER 56 2HB SER 56 5.279 -2.345 0.156 480 HG SER 56 HG SER 56 6.180 -1.323 1.815 481 H GLU 57 H GLU 57 3.095 -6.052 1.015 482 HA GLU 57 HA GLU 57 3.172 -6.250 -1.844 483 1HB GLU 57 1HB GLU 57 1.228 -7.545 0.081 484 2HB GLU 57 2HB GLU 57 1.594 -8.063 -1.564 485 1HG GLU 57 1HG GLU 57 4.007 -8.336 -0.821 486 2HG GLU 57 2HG GLU 57 3.441 -8.096 0.832 487 H ILE 58 H ILE 58 2.232 -3.684 -0.728 488 HA ILE 58 HA ILE 58 -0.568 -3.427 -0.988 489 HB ILE 58 HB ILE 58 1.505 -1.293 -1.542 490 1HG1 ILE 58 1HG1 ILE 58 2.068 -2.309 0.579 491 2HG1 ILE 58 2HG1 ILE 58 1.249 -0.783 0.911 492 1HG2 ILE 58 1HG2 ILE 58 -0.277 0.197 -0.650 493 2HG2 ILE 58 2HG2 ILE 58 -1.351 -1.196 -0.527 494 3HG2 ILE 58 3HG2 ILE 58 -0.786 -0.655 -2.106 495 1HD1 ILE 58 1HD1 ILE 58 -0.918 -2.238 0.996 496 2HD1 ILE 58 2HD1 ILE 58 0.177 -2.271 2.377 497 3HD1 ILE 58 3HD1 ILE 58 0.196 -3.589 1.206 498 H ILE 59 H ILE 59 1.908 -3.816 -3.344 499 HA ILE 59 HA ILE 59 0.625 -2.522 -5.538 500 HB ILE 59 HB ILE 59 2.966 -3.014 -5.707 501 1HG1 ILE 59 1HG1 ILE 59 1.746 -5.094 -7.520 502 2HG1 ILE 59 2HG1 ILE 59 1.362 -3.387 -7.746 503 1HG2 ILE 59 1HG2 ILE 59 3.811 -5.335 -5.664 504 2HG2 ILE 59 2HG2 ILE 59 2.181 -5.920 -5.339 505 3HG2 ILE 59 3HG2 ILE 59 3.011 -4.920 -4.149 506 1HD1 ILE 59 1HD1 ILE 59 4.160 -4.556 -7.686 507 2HD1 ILE 59 2HD1 ILE 59 3.756 -2.859 -7.945 508 3HD1 ILE 59 3HD1 ILE 59 3.289 -4.069 -9.141 509 H HIS 60 H HIS 60 -0.450 -4.921 -3.688 510 HA HIS 60 HA HIS 60 -1.560 -6.813 -5.614 511 1HB HIS 60 1HB HIS 60 -1.835 -6.334 -2.656 512 2HB HIS 60 2HB HIS 60 -2.899 -7.450 -3.511 513 HD1 HIS 60 HD1 HIS 60 -1.582 -9.236 -1.888 514 HD2 HIS 60 HD2 HIS 60 0.604 -7.582 -5.028 515 HE1 HIS 60 HE1 HIS 60 0.429 -10.737 -2.229 516 HE2 HIS 60 HE2 HIS 60 1.772 -9.741 -4.140 517 H LEU 61 H LEU 61 -2.886 -4.227 -3.547 518 HA LEU 61 HA LEU 61 -5.398 -4.369 -5.080 519 1HB LEU 61 1HB LEU 61 -5.289 -2.526 -2.802 520 2HB LEU 61 2HB LEU 61 -6.454 -3.796 -3.167 521 HG LEU 61 HG LEU 61 -4.527 -5.423 -2.486 522 1HD1 LEU 61 1HD1 LEU 61 -2.711 -4.593 -1.360 523 2HD1 LEU 61 2HD1 LEU 61 -3.630 -3.276 -0.633 524 3HD1 LEU 61 3HD1 LEU 61 -3.060 -3.139 -2.295 525 1HD2 LEU 61 1HD2 LEU 61 -5.152 -4.871 0.025 526 2HD2 LEU 61 2HD2 LEU 61 -6.385 -5.467 -1.086 527 3HD2 LEU 61 3HD2 LEU 61 -6.283 -3.744 -0.725 528 H ALA 62 H ALA 62 -2.887 -2.089 -4.062 529 HA ALA 62 HA ALA 62 -3.831 0.309 -4.979 530 1HB ALA 62 1HB ALA 62 -1.399 0.782 -5.621 531 2HB ALA 62 2HB ALA 62 -1.062 -0.874 -5.119 532 3HB ALA 62 3HB ALA 62 -1.698 0.288 -3.957 533 H GLU 63 H GLU 63 -2.636 -2.380 -6.920 534 HA GLU 63 HA GLU 63 -2.628 -0.847 -9.361 535 1HB GLU 63 1HB GLU 63 -2.122 -3.043 -10.414 536 2HB GLU 63 2HB GLU 63 -1.033 -2.658 -9.079 537 1HG GLU 63 1HG GLU 63 -2.387 -4.044 -7.564 538 2HG GLU 63 2HG GLU 63 -3.492 -4.417 -8.879 539 H SER 64 H SER 64 -5.215 -1.059 -7.877 540 HA SER 64 HA SER 64 -6.770 -2.513 -9.919 541 1HB SER 64 1HB SER 64 -7.684 -1.645 -7.164 542 2HB SER 64 2HB SER 64 -8.585 -2.647 -8.300 543 HG SER 64 HG SER 64 -6.730 -3.370 -6.512 544 H LEU 65 H LEU 65 -6.391 0.575 -8.261 545 HA LEU 65 HA LEU 65 -8.651 1.811 -9.516 546 1HB LEU 65 1HB LEU 65 -7.590 2.586 -7.363 547 2HB LEU 65 2HB LEU 65 -6.213 3.142 -8.307 548 HG LEU 65 HG LEU 65 -7.681 4.654 -9.583 549 1HD1 LEU 65 1HD1 LEU 65 -10.045 4.940 -8.423 550 2HD1 LEU 65 2HD1 LEU 65 -9.796 3.249 -7.986 551 3HD1 LEU 65 3HD1 LEU 65 -9.811 3.732 -9.683 552 1HD2 LEU 65 1HD2 LEU 65 -6.632 5.326 -7.374 553 2HD2 LEU 65 2HD2 LEU 65 -8.184 4.980 -6.618 554 3HD2 LEU 65 3HD2 LEU 65 -8.058 6.256 -7.828 555 H TYR 66 H TYR 66 -5.271 2.847 -9.815 556 HA TYR 66 HA TYR 66 -5.663 3.047 -12.750 557 1HB TYR 66 1HB TYR 66 -4.076 4.952 -12.691 558 2HB TYR 66 2HB TYR 66 -5.539 5.272 -11.760 559 HD1 TYR 66 HD1 TYR 66 -1.924 4.751 -11.618 560 HD2 TYR 66 HD2 TYR 66 -5.502 5.142 -9.286 561 HE1 TYR 66 HE1 TYR 66 -0.557 5.156 -9.589 562 HE2 TYR 66 HE2 TYR 66 -4.142 5.544 -7.253 563 HH TYR 66 HH TYR 66 -1.623 4.857 -6.569 564 H GLU 67 H GLU 67 -4.516 1.538 -13.749 565 HA GLU 67 HA GLU 67 -2.488 -0.021 -12.651 566 1HB GLU 67 1HB GLU 67 -2.706 0.683 -15.582 567 2HB GLU 67 2HB GLU 67 -2.051 -0.793 -14.873 568 1HG GLU 67 1HG GLU 67 -4.374 -1.150 -13.850 569 2HG GLU 67 2HG GLU 67 -4.931 0.118 -14.940 570 H GLY 68 H GLY 68 -0.200 -0.078 -13.139 571 1HA GLY 68 1HA GLY 68 1.710 1.157 -14.155 572 2HA GLY 68 2HA GLY 68 0.957 2.625 -13.537 573 H ILE 69 H ILE 69 0.223 0.644 -11.163 574 HA ILE 69 HA ILE 69 2.097 1.637 -9.332 575 HB ILE 69 HB ILE 69 0.550 -0.933 -9.024 576 1HG1 ILE 69 1HG1 ILE 69 -1.005 0.731 -9.851 577 2HG1 ILE 69 2HG1 ILE 69 -1.259 0.557 -8.120 578 1HG2 ILE 69 1HG2 ILE 69 0.668 -0.483 -6.695 579 2HG2 ILE 69 2HG2 ILE 69 1.189 1.181 -6.962 580 3HG2 ILE 69 3HG2 ILE 69 2.290 -0.154 -7.302 581 1HD1 ILE 69 1HD1 ILE 69 0.041 2.814 -9.616 582 2HD1 ILE 69 2HD1 ILE 69 0.459 2.526 -7.928 583 3HD1 ILE 69 3HD1 ILE 69 -1.209 2.880 -8.374 584 H LYS 70 H LYS 70 4.196 1.293 -10.123 585 HA LYS 70 HA LYS 70 5.245 -1.250 -10.849 586 1HB LYS 70 1HB LYS 70 6.542 1.312 -9.924 587 2HB LYS 70 2HB LYS 70 7.461 -0.111 -10.413 588 1HG LYS 70 1HG LYS 70 5.317 0.950 -12.238 589 2HG LYS 70 2HG LYS 70 6.886 1.752 -12.193 590 1HD LYS 70 1HD LYS 70 7.984 -0.444 -12.643 591 2HD LYS 70 2HD LYS 70 6.388 -1.177 -12.802 592 1HE LYS 70 1HE LYS 70 5.859 0.188 -14.705 593 2HE LYS 70 2HE LYS 70 7.292 1.188 -14.460 594 1HZ LYS 70 1HZ LYS 70 8.599 -0.309 -15.450 595 2HZ LYS 70 2HZ LYS 70 7.163 -0.941 -16.102 596 3HZ LYS 70 3HZ LYS 70 7.840 -1.631 -14.706 597 H SER 71 H SER 71 4.952 0.522 -7.832 598 HA SER 71 HA SER 71 5.022 -1.737 -6.183 599 1HB SER 71 1HB SER 71 7.322 -2.072 -6.658 600 2HB SER 71 2HB SER 71 7.676 -0.350 -6.556 601 HG SER 71 HG SER 71 7.693 -0.473 -4.433 602 H VAL 72 H VAL 72 5.825 -0.929 -3.824 603 HA VAL 72 HA VAL 72 5.028 1.857 -3.346 604 HB VAL 72 HB VAL 72 3.722 -0.381 -1.792 605 1HG1 VAL 72 1HG1 VAL 72 2.276 1.332 -0.987 606 2HG1 VAL 72 2HG1 VAL 72 2.798 2.462 -2.237 607 3HG1 VAL 72 3HG1 VAL 72 3.896 2.027 -0.928 608 1HG2 VAL 72 1HG2 VAL 72 2.892 -0.752 -3.992 609 2HG2 VAL 72 2HG2 VAL 72 2.813 0.975 -4.336 610 3HG2 VAL 72 3HG2 VAL 72 1.667 0.249 -3.213 611 H ASN 73 H ASN 73 5.963 2.754 -1.567 612 HA ASN 73 HA ASN 73 7.281 1.091 0.422 613 1HB ASN 73 1HB ASN 73 8.757 1.515 -1.799 614 2HB ASN 73 2HB ASN 73 9.172 2.965 -0.890 615 1HD2 ASN 73 1HD2 ASN 73 9.170 1.981 1.755 616 2HD2 ASN 73 2HD2 ASN 73 10.375 0.798 1.912 617 H PHE 74 H PHE 74 8.055 2.209 2.210 618 HA PHE 74 HA PHE 74 7.275 5.060 2.425 619 1HB PHE 74 1HB PHE 74 7.082 3.233 4.792 620 2HB PHE 74 2HB PHE 74 6.180 4.702 4.432 621 HD1 PHE 74 HD1 PHE 74 6.702 1.242 3.054 622 HD2 PHE 74 HD2 PHE 74 3.975 4.498 3.706 623 HE1 PHE 74 HE1 PHE 74 4.853 -0.114 2.111 624 HE2 PHE 74 HE2 PHE 74 2.129 3.142 2.760 625 HZ PHE 74 HZ PHE 74 2.568 0.835 1.964 626 H VAL 75 H VAL 75 8.644 6.349 3.687 627 HA VAL 75 HA VAL 75 10.938 5.073 4.998 628 HB VAL 75 HB VAL 75 12.590 6.320 3.792 629 1HG1 VAL 75 1HG1 VAL 75 11.721 4.216 2.747 630 2HG1 VAL 75 2HG1 VAL 75 12.366 5.362 1.572 631 3HG1 VAL 75 3HG1 VAL 75 10.623 5.199 1.778 632 1HG2 VAL 75 1HG2 VAL 75 11.528 8.415 3.407 633 2HG2 VAL 75 2HG2 VAL 75 10.186 7.664 2.548 634 3HG2 VAL 75 3HG2 VAL 75 11.782 7.736 1.800 635 H ASN 76 H ASN 76 12.469 7.237 5.563 636 HA ASN 76 HA ASN 76 10.747 8.701 7.417 637 1HB ASN 76 1HB ASN 76 13.668 9.232 7.345 638 2HB ASN 76 2HB ASN 76 12.600 8.979 8.723 639 1HD2 ASN 76 1HD2 ASN 76 15.131 7.547 7.099 640 2HD2 ASN 76 2HD2 ASN 76 14.828 5.926 7.496 641 H GLU 77 H GLU 77 10.860 10.982 7.663 642 HA GLU 77 HA GLU 77 10.321 12.536 5.520 643 1HB GLU 77 1HB GLU 77 10.218 13.164 7.980 644 2HB GLU 77 2HB GLU 77 11.921 13.600 7.844 645 1HG GLU 77 1HG GLU 77 10.713 15.618 7.448 646 2HG GLU 77 2HG GLU 77 11.246 15.063 5.861 647 H GLN 78 H GLN 78 13.592 11.954 6.816 648 HA GLN 78 HA GLN 78 14.860 13.717 4.959 649 1HB GLN 78 1HB GLN 78 16.150 11.388 6.395 650 2HB GLN 78 2HB GLN 78 16.928 12.858 5.805 651 1HG GLN 78 1HG GLN 78 15.524 14.184 7.393 652 2HG GLN 78 2HG GLN 78 14.884 12.673 8.036 653 1HE2 GLN 78 1HE2 GLN 78 16.088 11.677 9.677 654 2HE2 GLN 78 2HE2 GLN 78 17.670 12.118 10.106 655 H ASP 79 H ASP 79 14.564 10.167 5.110 656 HA ASP 79 HA ASP 79 15.934 9.568 2.744 657 1HB ASP 79 1HB ASP 79 13.732 8.206 4.271 658 2HB ASP 79 2HB ASP 79 14.291 7.541 2.737 659 H PHE 80 H PHE 80 12.404 10.020 3.218 660 HA PHE 80 HA PHE 80 11.638 9.774 0.548 661 1HB PHE 80 1HB PHE 80 9.780 9.851 1.879 662 2HB PHE 80 2HB PHE 80 10.514 10.975 3.017 663 HD1 PHE 80 HD1 PHE 80 10.485 13.400 2.601 664 HD2 PHE 80 HD2 PHE 80 8.578 10.643 -0.085 665 HE1 PHE 80 HE1 PHE 80 9.250 15.276 1.551 666 HE2 PHE 80 HE2 PHE 80 7.344 12.519 -1.135 667 HZ PHE 80 HZ PHE 80 7.679 14.836 -0.316 668 H PHE 81 H PHE 81 12.693 12.633 2.388 669 HA PHE 81 HA PHE 81 12.314 14.577 0.395 670 1HB PHE 81 1HB PHE 81 12.864 15.038 2.789 671 2HB PHE 81 2HB PHE 81 14.527 14.549 2.448 672 HD1 PHE 81 HD1 PHE 81 15.968 15.882 0.998 673 HD2 PHE 81 HD2 PHE 81 11.916 17.063 1.793 674 HE1 PHE 81 HE1 PHE 81 16.430 18.118 0.032 675 HE2 PHE 81 HE2 PHE 81 12.377 19.300 0.831 676 HZ PHE 81 HZ PHE 81 14.635 19.830 -0.048 677 H PHE 82 H PHE 82 14.931 12.299 0.996 678 HA PHE 82 HA PHE 82 16.797 13.419 -0.824 679 1HB PHE 82 1HB PHE 82 16.942 11.503 1.075 680 2HB PHE 82 2HB PHE 82 16.811 10.477 -0.350 681 HD1 PHE 82 HD1 PHE 82 18.730 10.023 -1.628 682 HD2 PHE 82 HD2 PHE 82 18.669 13.461 0.947 683 HE1 PHE 82 HE1 PHE 82 21.120 10.449 -2.139 684 HE2 PHE 82 HE2 PHE 82 21.057 13.887 0.437 685 HZ PHE 82 HZ PHE 82 22.284 12.381 -1.106 686 H ASN 83 H ASN 83 14.036 11.345 -1.150 687 HA ASN 83 HA ASN 83 14.640 10.265 -3.711 688 1HB ASN 83 1HB ASN 83 12.942 9.356 -2.091 689 2HB ASN 83 2HB ASN 83 11.893 10.701 -2.535 690 1HD2 ASN 83 1HD2 ASN 83 11.108 10.781 -4.796 691 2HD2 ASN 83 2HD2 ASN 83 11.105 9.377 -5.748 692 H LEU 84 H LEU 84 12.752 13.132 -2.695 693 HA LEU 84 HA LEU 84 12.156 13.778 -5.464 694 1HB LEU 84 1HB LEU 84 11.300 15.968 -4.217 695 2HB LEU 84 2HB LEU 84 10.366 14.476 -4.232 696 HG LEU 84 HG LEU 84 12.374 14.778 -2.042 697 1HD1 LEU 84 1HD1 LEU 84 11.408 16.995 -2.004 698 2HD1 LEU 84 2HD1 LEU 84 10.664 16.061 -0.706 699 3HD1 LEU 84 3HD1 LEU 84 9.782 16.341 -2.208 700 1HD2 LEU 84 1HD2 LEU 84 10.905 12.778 -2.327 701 2HD2 LEU 84 2HD2 LEU 84 9.495 13.818 -2.146 702 3HD2 LEU 84 3HD2 LEU 84 10.610 13.607 -0.798 703 H ALA 85 H ALA 85 14.638 14.486 -3.194 704 HA ALA 85 HA ALA 85 15.371 17.020 -4.384 705 1HB ALA 85 1HB ALA 85 16.867 15.304 -2.386 706 2HB ALA 85 2HB ALA 85 15.749 16.608 -1.984 707 3HB ALA 85 3HB ALA 85 17.261 16.968 -2.818 708 H LYS 86 H LYS 86 16.234 13.663 -4.753 709 HA LYS 86 HA LYS 86 18.737 14.056 -6.054 710 1HB LYS 86 1HB LYS 86 18.183 11.896 -5.098 711 2HB LYS 86 2HB LYS 86 16.788 11.744 -6.164 712 1HG LYS 86 1HG LYS 86 18.109 11.425 -8.072 713 2HG LYS 86 2HG LYS 86 19.524 12.181 -7.343 714 1HD LYS 86 1HD LYS 86 18.480 9.715 -6.019 715 2HD LYS 86 2HD LYS 86 19.283 9.508 -7.574 716 1HE LYS 86 1HE LYS 86 20.830 9.348 -5.589 717 2HE LYS 86 2HE LYS 86 21.290 10.580 -6.763 718 1HZ LYS 86 1HZ LYS 86 20.030 12.191 -5.353 719 2HZ LYS 86 2HZ LYS 86 21.432 11.558 -4.633 720 3HZ LYS 86 3HZ LYS 86 19.903 10.979 -4.174 721 H LEU 87 H LEU 87 15.502 13.272 -7.350 722 HA LEU 87 HA LEU 87 15.994 13.257 -10.035 723 1HB LEU 87 1HB LEU 87 13.662 14.195 -8.408 724 2HB LEU 87 2HB LEU 87 13.653 14.494 -10.146 725 HG LEU 87 HG LEU 87 13.927 12.129 -10.614 726 1HD1 LEU 87 1HD1 LEU 87 13.817 10.554 -8.553 727 2HD1 LEU 87 2HD1 LEU 87 14.331 11.964 -7.628 728 3HD1 LEU 87 3HD1 LEU 87 15.358 11.331 -8.912 729 1HD2 LEU 87 1HD2 LEU 87 11.804 11.324 -9.830 730 2HD2 LEU 87 2HD2 LEU 87 11.636 13.070 -10.014 731 3HD2 LEU 87 3HD2 LEU 87 11.860 12.370 -8.411 732 H GLU 88 H GLU 88 17.142 14.599 -11.245 733 HA GLU 88 HA GLU 88 16.516 17.432 -11.288 734 1HB GLU 88 1HB GLU 88 18.348 16.942 -9.484 735 2HB GLU 88 2HB GLU 88 19.411 16.735 -10.874 736 1HG GLU 88 1HG GLU 88 19.617 19.027 -10.326 737 2HG GLU 88 2HG GLU 88 18.492 19.009 -11.682 738 H GLU 89 H GLU 89 16.914 14.730 -12.884 739 HA GLU 89 HA GLU 89 17.665 16.061 -15.354 740 1HB GLU 89 1HB GLU 89 19.839 15.297 -14.370 741 2HB GLU 89 2HB GLU 89 19.232 13.642 -14.431 742 1HG GLU 89 1HG GLU 89 18.908 13.857 -16.873 743 2HG GLU 89 2HG GLU 89 19.541 15.500 -16.807 744 H ASN 90 H ASN 90 16.798 13.065 -13.685 745 HA ASN 90 HA ASN 90 14.626 12.528 -15.435 746 1HB ASN 90 1HB ASN 90 16.624 11.933 -16.892 747 2HB ASN 90 2HB ASN 90 16.945 10.621 -15.760 748 1HD2 ASN 90 1HD2 ASN 90 14.068 11.947 -17.514 749 2HD2 ASN 90 2HD2 ASN 90 13.463 10.423 -17.952 750 H SER 91 H SER 91 15.530 9.527 -15.032 751 HA SER 91 HA SER 91 15.103 9.269 -12.148 752 1HB SER 91 1HB SER 91 13.161 7.848 -12.378 753 2HB SER 91 2HB SER 91 12.830 9.375 -13.193 754 HG SER 91 HG SER 91 13.966 7.877 -14.986 755 H ARG 92 H ARG 92 15.534 7.133 -11.361 756 HA ARG 92 HA ARG 92 16.357 4.992 -13.028 757 1HB ARG 92 1HB ARG 92 18.794 5.068 -12.518 758 2HB ARG 92 2HB ARG 92 18.266 6.403 -13.544 759 1HG ARG 92 1HG ARG 92 17.992 7.754 -11.378 760 2HG ARG 92 2HG ARG 92 18.901 6.464 -10.589 761 1HD ARG 92 1HD ARG 92 20.804 6.832 -12.029 762 2HD ARG 92 2HD ARG 92 19.893 7.960 -13.030 763 HE ARG 92 HE ARG 92 19.937 8.856 -10.329 764 1HH1 ARG 92 1HH1 ARG 92 21.894 8.489 -13.160 765 2HH1 ARG 92 2HH1 ARG 92 22.939 9.816 -12.777 766 1HH2 ARG 92 1HH2 ARG 92 21.303 10.595 -9.821 767 2HH2 ARG 92 2HH2 ARG 92 22.604 11.008 -10.885 768 H ASP 93 H ASP 93 16.905 3.134 -11.836 769 HA ASP 93 HA ASP 93 15.906 3.131 -9.133 770 1HB ASP 93 1HB ASP 93 15.491 1.263 -10.711 771 2HB ASP 93 2HB ASP 93 17.216 0.903 -10.707 772 H THR 94 H THR 94 17.197 1.829 -7.458 773 HA THR 94 HA THR 94 19.566 3.271 -6.852 774 HB THR 94 HB THR 94 18.080 2.295 -5.128 775 HG1 THR 94 HG1 THR 94 20.096 0.958 -4.251 776 1HG2 THR 94 1HG2 THR 94 18.038 -0.081 -4.731 777 2HG2 THR 94 2HG2 THR 94 19.260 -0.362 -5.972 778 3HG2 THR 94 3HG2 THR 94 17.645 0.179 -6.431 779 H LEU 95 H LEU 95 21.485 1.675 -5.994 780 HA LEU 95 HA LEU 95 22.981 0.983 -8.205 781 1HB LEU 95 1HB LEU 95 23.245 0.774 -5.377 782 2HB LEU 95 2HB LEU 95 23.681 -0.794 -6.052 783 HG LEU 95 HG LEU 95 25.143 0.510 -7.719 784 1HD1 LEU 95 1HD1 LEU 95 24.228 2.734 -7.406 785 2HD1 LEU 95 2HD1 LEU 95 25.890 2.744 -6.816 786 3HD1 LEU 95 3HD1 LEU 95 24.550 2.670 -5.673 787 1HD2 LEU 95 1HD2 LEU 95 26.987 0.659 -6.112 788 2HD2 LEU 95 2HD2 LEU 95 26.015 -0.773 -5.771 789 3HD2 LEU 95 3HD2 LEU 95 25.843 0.669 -4.770 790 H TYR 96 H TYR 96 23.521 -0.996 -9.208 791 HA TYR 96 HA TYR 96 21.939 -3.359 -8.630 792 1HB TYR 96 1HB TYR 96 20.707 -1.699 -10.288 793 2HB TYR 96 2HB TYR 96 21.807 -2.421 -11.461 794 HD1 TYR 96 HD1 TYR 96 21.916 -5.010 -11.552 795 HD2 TYR 96 HD2 TYR 96 18.743 -2.826 -9.650 796 HE1 TYR 96 HE1 TYR 96 20.460 -7.012 -11.684 797 HE2 TYR 96 HE2 TYR 96 17.287 -4.829 -9.783 798 HH TYR 96 HH TYR 96 17.070 -6.889 -10.629 799 H GLN 97 H GLN 97 23.851 -1.968 -11.237 800 HA GLN 97 HA GLN 97 26.128 -3.597 -10.823 801 1HB GLN 97 1HB GLN 97 24.614 -5.386 -11.606 802 2HB GLN 97 2HB GLN 97 24.325 -4.478 -13.090 803 1HG GLN 97 1HG GLN 97 26.670 -4.627 -13.703 804 2HG GLN 97 2HG GLN 97 27.062 -5.385 -12.160 805 1HE2 GLN 97 1HE2 GLN 97 24.472 -7.008 -12.304 806 2HE2 GLN 97 2HE2 GLN 97 24.814 -8.240 -13.420 807 H ASN 98 H ASN 98 27.809 -3.154 -12.316 808 HA ASN 98 HA ASN 98 27.653 -0.560 -13.510 809 1HB ASN 98 1HB ASN 98 29.747 -1.357 -12.555 810 2HB ASN 98 2HB ASN 98 29.780 -2.706 -13.690 811 1HD2 ASN 98 1HD2 ASN 98 29.173 0.839 -14.077 812 2HD2 ASN 98 2HD2 ASN 98 30.305 1.035 -15.326 813 H SER 99 H SER 99 27.340 0.022 -15.594 814 HA SER 99 HA SER 99 27.627 -1.778 -17.800 815 1HB SER 99 1HB SER 99 24.827 -1.078 -16.891 816 2HB SER 99 2HB SER 99 25.220 -1.767 -18.464 817 HG SER 99 HG SER 99 26.443 -3.199 -16.594 818 H GLY 100 H GLY 100 25.396 0.908 -17.056 819 1HA GLY 100 1HA GLY 100 25.104 2.957 -18.060 820 2HA GLY 100 2HA GLY 100 26.859 2.980 -18.207 Start of MODEL 6 1 H MET 1 H MET 1 -10.015 12.268 -8.890 2 HA MET 1 HA MET 1 -10.052 14.823 -7.790 3 1HB MET 1 1HB MET 1 -12.767 13.759 -8.616 4 2HB MET 1 2HB MET 1 -12.530 15.007 -7.391 5 1HG MET 1 1HG MET 1 -11.470 15.229 -10.220 6 2HG MET 1 2HG MET 1 -13.021 15.897 -9.708 7 1HE MET 1 1HE MET 1 -9.445 16.560 -10.295 8 2HE MET 1 2HE MET 1 -9.533 18.293 -9.986 9 3HE MET 1 3HE MET 1 -10.721 17.532 -11.041 10 H GLU 2 H GLU 2 -12.203 11.972 -7.640 11 HA GLU 2 HA GLU 2 -11.735 11.669 -4.804 12 1HB GLU 2 1HB GLU 2 -13.222 9.935 -6.790 13 2HB GLU 2 2HB GLU 2 -13.204 9.681 -5.045 14 1HG GLU 2 1HG GLU 2 -14.037 12.090 -4.831 15 2HG GLU 2 2HG GLU 2 -14.344 12.030 -6.566 16 H GLN 3 H GLN 3 -9.624 11.228 -7.055 17 HA GLN 3 HA GLN 3 -8.778 8.637 -7.285 18 1HB GLN 3 1HB GLN 3 -7.697 11.007 -7.960 19 2HB GLN 3 2HB GLN 3 -6.651 10.602 -6.603 20 1HG GLN 3 1HG GLN 3 -5.548 9.602 -8.418 21 2HG GLN 3 2HG GLN 3 -6.472 8.261 -7.743 22 1HE2 GLN 3 1HE2 GLN 3 -7.709 10.963 -9.763 23 2HE2 GLN 3 2HE2 GLN 3 -8.243 9.967 -11.029 24 H PHE 4 H PHE 4 -7.218 10.714 -4.850 25 HA PHE 4 HA PHE 4 -6.083 8.787 -3.264 26 1HB PHE 4 1HB PHE 4 -7.492 11.092 -1.952 27 2HB PHE 4 2HB PHE 4 -5.910 10.401 -1.593 28 HD1 PHE 4 HD1 PHE 4 -7.202 13.313 -2.634 29 HD2 PHE 4 HD2 PHE 4 -4.545 10.288 -4.135 30 HE1 PHE 4 HE1 PHE 4 -6.131 14.988 -4.117 31 HE2 PHE 4 HE2 PHE 4 -3.476 11.965 -5.618 32 HZ PHE 4 HZ PHE 4 -4.268 14.314 -5.608 33 H ASN 5 H ASN 5 -9.362 10.106 -2.909 34 HA ASN 5 HA ASN 5 -10.166 8.451 -0.784 35 1HB ASN 5 1HB ASN 5 -11.334 10.525 -1.804 36 2HB ASN 5 2HB ASN 5 -12.059 9.382 -2.933 37 1HD2 ASN 5 1HD2 ASN 5 -12.219 10.630 0.302 38 2HD2 ASN 5 2HD2 ASN 5 -13.447 9.599 0.859 39 H ALA 6 H ALA 6 -9.868 7.849 -4.197 40 HA ALA 6 HA ALA 6 -11.499 5.462 -4.182 41 1HB ALA 6 1HB ALA 6 -9.501 6.272 -6.292 42 2HB ALA 6 2HB ALA 6 -11.108 6.991 -6.180 43 3HB ALA 6 3HB ALA 6 -10.934 5.262 -6.481 44 H PHE 7 H PHE 7 -8.012 6.000 -4.794 45 HA PHE 7 HA PHE 7 -7.306 3.275 -4.602 46 1HB PHE 7 1HB PHE 7 -5.542 4.337 -5.550 47 2HB PHE 7 2HB PHE 7 -5.887 5.856 -4.739 48 HD1 PHE 7 HD1 PHE 7 -4.499 6.565 -2.989 49 HD2 PHE 7 HD2 PHE 7 -4.619 2.399 -4.031 50 HE1 PHE 7 HE1 PHE 7 -2.677 6.106 -1.369 51 HE2 PHE 7 HE2 PHE 7 -2.799 1.942 -2.411 52 HZ PHE 7 HZ PHE 7 -1.828 3.795 -1.080 53 H LYS 8 H LYS 8 -7.257 5.885 -2.183 54 HA LYS 8 HA LYS 8 -6.148 4.381 -0.076 55 1HB LYS 8 1HB LYS 8 -6.481 6.901 -0.197 56 2HB LYS 8 2HB LYS 8 -8.157 6.603 0.266 57 1HG LYS 8 1HG LYS 8 -7.561 5.760 2.377 58 2HG LYS 8 2HG LYS 8 -5.904 5.413 1.879 59 1HD LYS 8 1HD LYS 8 -6.070 7.419 3.362 60 2HD LYS 8 2HD LYS 8 -5.387 7.791 1.779 61 1HE LYS 8 1HE LYS 8 -7.469 8.711 1.005 62 2HE LYS 8 2HE LYS 8 -8.325 8.120 2.430 63 1HZ LYS 8 1HZ LYS 8 -6.166 9.653 3.304 64 2HZ LYS 8 2HZ LYS 8 -7.823 10.000 3.452 65 3HZ LYS 8 3HZ LYS 8 -6.955 10.547 2.099 66 H SER 9 H SER 9 -9.577 5.036 -0.887 67 HA SER 9 HA SER 9 -10.646 3.633 1.263 68 1HB SER 9 1HB SER 9 -12.102 5.032 -0.059 69 2HB SER 9 2HB SER 9 -11.772 4.092 -1.513 70 HG SER 9 HG SER 9 -12.648 2.552 0.555 71 H LEU 10 H LEU 10 -9.235 2.498 -1.702 72 HA LEU 10 HA LEU 10 -10.325 -0.131 -1.664 73 1HB LEU 10 1HB LEU 10 -9.397 0.189 -3.724 74 2HB LEU 10 2HB LEU 10 -8.157 1.274 -3.118 75 HG LEU 10 HG LEU 10 -8.044 -1.674 -2.483 76 1HD1 LEU 10 1HD1 LEU 10 -6.876 -0.358 -4.953 77 2HD1 LEU 10 2HD1 LEU 10 -8.276 -1.430 -4.953 78 3HD1 LEU 10 3HD1 LEU 10 -6.697 -2.047 -4.482 79 1HD2 LEU 10 1HD2 LEU 10 -5.561 -0.225 -3.054 80 2HD2 LEU 10 2HD2 LEU 10 -6.013 -1.146 -1.619 81 3HD2 LEU 10 3HD2 LEU 10 -6.487 0.543 -1.767 82 H LEU 11 H LEU 11 -7.669 1.439 0.014 83 HA LEU 11 HA LEU 11 -6.425 -0.972 0.931 84 1HB LEU 11 1HB LEU 11 -6.287 1.922 1.740 85 2HB LEU 11 2HB LEU 11 -5.618 0.701 2.817 86 HG LEU 11 HG LEU 11 -4.886 0.613 -0.094 87 1HD1 LEU 11 1HD1 LEU 11 -2.871 2.075 0.611 88 2HD1 LEU 11 2HD1 LEU 11 -3.888 2.590 1.958 89 3HD1 LEU 11 3HD1 LEU 11 -4.400 2.895 0.299 90 1HD2 LEU 11 1HD2 LEU 11 -2.767 -0.250 0.887 91 2HD2 LEU 11 2HD2 LEU 11 -4.161 -1.197 1.402 92 3HD2 LEU 11 3HD2 LEU 11 -3.439 -0.022 2.500 93 H LYS 12 H LYS 12 -8.867 1.228 2.277 94 HA LYS 12 HA LYS 12 -9.339 0.263 4.796 95 1HB LYS 12 1HB LYS 12 -10.752 1.924 3.457 96 2HB LYS 12 2HB LYS 12 -11.586 0.517 2.795 97 1HG LYS 12 1HG LYS 12 -11.954 -0.224 5.216 98 2HG LYS 12 2HG LYS 12 -11.433 1.395 5.684 99 1HD LYS 12 1HD LYS 12 -13.223 2.400 4.371 100 2HD LYS 12 2HD LYS 12 -13.704 0.816 3.761 101 1HE LYS 12 1HE LYS 12 -15.211 1.294 5.547 102 2HE LYS 12 2HE LYS 12 -14.052 0.138 6.201 103 1HZ LYS 12 1HZ LYS 12 -14.341 2.999 6.755 104 2HZ LYS 12 2HZ LYS 12 -12.784 2.324 6.823 105 3HZ LYS 12 3HZ LYS 12 -14.019 1.720 7.821 106 H LYS 13 H LYS 13 -10.647 -1.241 1.846 107 HA LYS 13 HA LYS 13 -11.780 -3.527 2.985 108 1HB LYS 13 1HB LYS 13 -10.673 -2.824 0.304 109 2HB LYS 13 2HB LYS 13 -10.998 -4.524 0.641 110 1HG LYS 13 1HG LYS 13 -13.087 -2.466 1.308 111 2HG LYS 13 2HG LYS 13 -12.902 -3.000 -0.362 112 1HD LYS 13 1HD LYS 13 -13.499 -5.209 0.135 113 2HD LYS 13 2HD LYS 13 -13.090 -5.042 1.842 114 1HE LYS 13 1HE LYS 13 -15.014 -3.488 2.124 115 2HE LYS 13 2HE LYS 13 -15.445 -3.750 0.433 116 1HZ LYS 13 1HZ LYS 13 -15.049 -6.195 1.870 117 2HZ LYS 13 2HZ LYS 13 -16.361 -5.704 0.908 118 3HZ LYS 13 3HZ LYS 13 -16.285 -5.247 2.542 119 H HIS 14 H HIS 14 -8.456 -2.897 1.968 120 HA HIS 14 HA HIS 14 -7.467 -5.531 2.480 121 1HB HIS 14 1HB HIS 14 -6.409 -3.846 0.958 122 2HB HIS 14 2HB HIS 14 -5.908 -2.947 2.389 123 HD1 HIS 14 HD1 HIS 14 -5.926 -6.715 2.273 124 HD2 HIS 14 HD2 HIS 14 -3.163 -3.595 2.150 125 HE1 HIS 14 HE1 HIS 14 -3.637 -7.773 2.513 126 HE2 HIS 14 HE2 HIS 14 -1.942 -5.884 2.443 127 H TYR 15 H TYR 15 -6.782 -2.465 4.203 128 HA TYR 15 HA TYR 15 -5.775 -3.871 6.499 129 1HB TYR 15 1HB TYR 15 -6.125 -1.019 5.674 130 2HB TYR 15 2HB TYR 15 -5.926 -1.366 7.390 131 HD1 TYR 15 HD1 TYR 15 -3.731 -0.599 7.831 132 HD2 TYR 15 HD2 TYR 15 -4.449 -3.208 4.495 133 HE1 TYR 15 HE1 TYR 15 -1.287 -0.848 7.497 134 HE2 TYR 15 HE2 TYR 15 -2.005 -3.456 4.163 135 HH TYR 15 HH TYR 15 0.207 -1.480 5.272 136 H GLU 16 H GLU 16 -8.705 -4.140 5.646 137 HA GLU 16 HA GLU 16 -10.463 -2.874 7.341 138 1HB GLU 16 1HB GLU 16 -11.123 -4.487 5.582 139 2HB GLU 16 2HB GLU 16 -10.523 -5.806 6.588 140 1HG GLU 16 1HG GLU 16 -12.128 -5.251 8.341 141 2HG GLU 16 2HG GLU 16 -12.683 -3.851 7.425 142 H LYS 17 H LYS 17 -8.082 -5.300 8.114 143 HA LYS 17 HA LYS 17 -9.185 -5.737 10.788 144 1HB LYS 17 1HB LYS 17 -6.855 -6.914 9.274 145 2HB LYS 17 2HB LYS 17 -7.127 -7.238 10.987 146 1HG LYS 17 1HG LYS 17 -9.335 -8.154 10.508 147 2HG LYS 17 2HG LYS 17 -9.174 -7.730 8.803 148 1HD LYS 17 1HD LYS 17 -7.467 -9.338 8.447 149 2HD LYS 17 2HD LYS 17 -7.178 -9.535 10.175 150 1HE LYS 17 1HE LYS 17 -9.485 -10.481 10.404 151 2HE LYS 17 2HE LYS 17 -9.652 -10.400 8.650 152 1HZ LYS 17 1HZ LYS 17 -7.467 -11.857 10.030 153 2HZ LYS 17 2HZ LYS 17 -7.853 -11.905 8.376 154 3HZ LYS 17 3HZ LYS 17 -8.907 -12.592 9.517 155 H THR 18 H THR 18 -6.217 -4.452 9.293 156 HA THR 18 HA THR 18 -5.041 -3.645 11.768 157 HB THR 18 HB THR 18 -3.590 -2.220 10.181 158 HG1 THR 18 HG1 THR 18 -4.111 -3.622 8.028 159 1HG2 THR 18 1HG2 THR 18 -3.847 -5.225 9.944 160 2HG2 THR 18 2HG2 THR 18 -2.764 -4.317 10.999 161 3HG2 THR 18 3HG2 THR 18 -2.502 -4.316 9.255 162 H ILE 19 H ILE 19 -7.688 -2.725 11.715 163 HA ILE 19 HA ILE 19 -8.019 -0.070 10.862 164 HB ILE 19 HB ILE 19 -9.950 -1.308 11.524 165 1HG1 ILE 19 1HG1 ILE 19 -9.625 0.627 13.816 166 2HG1 ILE 19 2HG1 ILE 19 -9.715 1.212 12.155 167 1HG2 ILE 19 1HG2 ILE 19 -9.590 -1.450 14.400 168 2HG2 ILE 19 2HG2 ILE 19 -8.281 -2.298 13.583 169 3HG2 ILE 19 3HG2 ILE 19 -9.955 -2.747 13.264 170 1HD1 ILE 19 1HD1 ILE 19 -11.868 0.088 11.844 171 2HD1 ILE 19 2HD1 ILE 19 -11.950 1.154 13.247 172 3HD1 ILE 19 3HD1 ILE 19 -11.773 -0.587 13.470 173 H GLY 20 H GLY 20 -7.983 -0.700 14.352 174 1HA GLY 20 1HA GLY 20 -7.231 1.598 15.399 175 2HA GLY 20 2HA GLY 20 -6.475 0.113 15.970 176 H PHE 21 H PHE 21 -4.726 -0.649 14.194 177 HA PHE 21 HA PHE 21 -2.451 0.813 14.446 178 1HB PHE 21 1HB PHE 21 -2.514 -1.412 13.399 179 2HB PHE 21 2HB PHE 21 -3.296 -0.729 11.975 180 HD1 PHE 21 HD1 PHE 21 -1.970 -0.026 10.183 181 HD2 PHE 21 HD2 PHE 21 -0.249 -0.260 14.112 182 HE1 PHE 21 HE1 PHE 21 0.255 0.536 9.243 183 HE2 PHE 21 HE2 PHE 21 1.975 0.304 13.171 184 HZ PHE 21 HZ PHE 21 2.225 0.700 10.737 185 H HIS 22 H HIS 22 -4.824 1.135 11.822 186 HA HIS 22 HA HIS 22 -3.534 3.275 10.493 187 1HB HIS 22 1HB HIS 22 -5.486 1.769 9.662 188 2HB HIS 22 2HB HIS 22 -6.529 2.885 10.538 189 HD1 HIS 22 HD1 HIS 22 -5.803 5.576 9.924 190 HD2 HIS 22 HD2 HIS 22 -5.152 2.616 7.061 191 HE1 HIS 22 HE1 HIS 22 -5.603 6.765 7.697 192 HE2 HIS 22 HE2 HIS 22 -5.202 4.975 5.941 193 H ASP 23 H ASP 23 -6.231 3.342 12.862 194 HA ASP 23 HA ASP 23 -6.393 6.155 12.989 195 1HB ASP 23 1HB ASP 23 -8.005 4.411 13.976 196 2HB ASP 23 2HB ASP 23 -6.887 4.323 15.335 197 H LYS 24 H LYS 24 -3.833 4.226 13.669 198 HA LYS 24 HA LYS 24 -2.764 5.841 15.887 199 1HB LYS 24 1HB LYS 24 -2.593 3.109 15.210 200 2HB LYS 24 2HB LYS 24 -0.988 3.771 14.914 201 1HG LYS 24 1HG LYS 24 -2.542 4.237 17.477 202 2HG LYS 24 2HG LYS 24 -1.370 2.937 17.274 203 1HD LYS 24 1HD LYS 24 0.438 4.433 17.041 204 2HD LYS 24 2HD LYS 24 -0.617 5.798 16.680 205 1HE LYS 24 1HE LYS 24 -0.390 4.378 19.351 206 2HE LYS 24 2HE LYS 24 0.238 5.982 18.972 207 1HZ LYS 24 1HZ LYS 24 -2.350 6.151 18.218 208 2HZ LYS 24 2HZ LYS 24 -1.730 6.696 19.701 209 3HZ LYS 24 3HZ LYS 24 -2.449 5.160 19.591 210 H TYR 25 H TYR 25 -1.118 4.486 12.992 211 HA TYR 25 HA TYR 25 0.286 7.072 12.855 212 1HB TYR 25 1HB TYR 25 1.108 4.595 11.349 213 2HB TYR 25 2HB TYR 25 2.098 5.975 11.819 214 HD1 TYR 25 HD1 TYR 25 0.665 2.790 12.874 215 HD2 TYR 25 HD2 TYR 25 2.741 6.308 14.200 216 HE1 TYR 25 HE1 TYR 25 1.293 1.627 14.973 217 HE2 TYR 25 HE2 TYR 25 3.370 5.147 16.298 218 HH TYR 25 HH TYR 25 2.342 1.784 16.916 219 H ILE 26 H ILE 26 -0.669 4.629 10.417 220 HA ILE 26 HA ILE 26 -0.558 6.079 8.150 221 HB ILE 26 HB ILE 26 -3.045 4.471 8.658 222 1HG1 ILE 26 1HG1 ILE 26 -1.315 3.147 9.693 223 2HG1 ILE 26 2HG1 ILE 26 -1.614 2.456 8.098 224 1HG2 ILE 26 1HG2 ILE 26 -2.664 5.555 6.448 225 2HG2 ILE 26 2HG2 ILE 26 -2.682 3.795 6.340 226 3HG2 ILE 26 3HG2 ILE 26 -1.148 4.665 6.301 227 1HD1 ILE 26 1HD1 ILE 26 0.746 2.580 8.244 228 2HD1 ILE 26 2HD1 ILE 26 0.702 4.178 8.986 229 3HD1 ILE 26 3HD1 ILE 26 0.299 3.986 7.280 230 H LYS 27 H LYS 27 -2.730 6.668 10.773 231 HA LYS 27 HA LYS 27 -4.548 8.324 9.239 232 1HB LYS 27 1HB LYS 27 -5.465 7.166 11.128 233 2HB LYS 27 2HB LYS 27 -4.233 7.826 12.204 234 1HG LYS 27 1HG LYS 27 -5.128 10.034 12.032 235 2HG LYS 27 2HG LYS 27 -6.153 9.588 10.667 236 1HD LYS 27 1HD LYS 27 -7.436 8.064 12.138 237 2HD LYS 27 2HD LYS 27 -6.425 8.544 13.503 238 1HE LYS 27 1HE LYS 27 -7.135 10.955 12.972 239 2HE LYS 27 2HE LYS 27 -8.373 10.244 11.937 240 1HZ LYS 27 1HZ LYS 27 -9.307 9.107 13.780 241 2HZ LYS 27 2HZ LYS 27 -9.095 10.724 14.257 242 3HZ LYS 27 3HZ LYS 27 -8.014 9.527 14.793 243 H ASP 28 H ASP 28 -1.842 8.792 11.467 244 HA ASP 28 HA ASP 28 -2.074 11.623 11.649 245 1HB ASP 28 1HB ASP 28 -0.835 10.188 13.274 246 2HB ASP 28 2HB ASP 28 0.398 9.926 12.041 247 H ILE 29 H ILE 29 -0.359 9.451 9.462 248 HA ILE 29 HA ILE 29 1.454 11.063 8.221 249 HB ILE 29 HB ILE 29 -0.464 9.114 6.927 250 1HG1 ILE 29 1HG1 ILE 29 2.430 8.865 7.811 251 2HG1 ILE 29 2HG1 ILE 29 1.046 8.209 8.684 252 1HG2 ILE 29 1HG2 ILE 29 0.378 10.536 5.177 253 2HG2 ILE 29 2HG2 ILE 29 1.335 9.058 5.127 254 3HG2 ILE 29 3HG2 ILE 29 2.002 10.515 5.861 255 1HD1 ILE 29 1HD1 ILE 29 1.678 6.351 7.450 256 2HD1 ILE 29 2HD1 ILE 29 2.247 7.318 6.089 257 3HD1 ILE 29 3HD1 ILE 29 0.518 7.083 6.342 258 H ASN 30 H ASN 30 1.391 12.349 6.270 259 HA ASN 30 HA ASN 30 -1.107 13.393 5.297 260 1HB ASN 30 1HB ASN 30 -0.747 15.716 6.032 261 2HB ASN 30 2HB ASN 30 -0.975 14.630 7.403 262 1HD2 ASN 30 1HD2 ASN 30 0.291 15.863 8.915 263 2HD2 ASN 30 2HD2 ASN 30 1.967 16.065 8.743 264 H ARG 31 H ARG 31 1.743 12.358 4.563 265 HA ARG 31 HA ARG 31 2.150 14.320 2.396 266 1HB ARG 31 1HB ARG 31 3.828 14.586 4.304 267 2HB ARG 31 2HB ARG 31 4.444 13.004 3.838 268 1HG ARG 31 1HG ARG 31 5.807 14.358 2.541 269 2HG ARG 31 2HG ARG 31 4.478 14.086 1.415 270 1HD ARG 31 1HD ARG 31 4.675 16.402 1.315 271 2HD ARG 31 2HD ARG 31 3.454 16.227 2.572 272 HE ARG 31 HE ARG 31 6.186 16.304 3.552 273 1HH1 ARG 31 1HH1 ARG 31 3.345 18.070 2.667 274 2HH1 ARG 31 2HH1 ARG 31 3.726 19.444 3.650 275 1HH2 ARG 31 1HH2 ARG 31 6.691 18.100 4.845 276 2HH2 ARG 31 2HH2 ARG 31 5.619 19.461 4.883 277 H PHE 32 H PHE 32 1.741 13.277 0.592 278 HA PHE 32 HA PHE 32 3.112 10.779 -0.032 279 1HB PHE 32 1HB PHE 32 0.837 9.858 -0.881 280 2HB PHE 32 2HB PHE 32 1.191 9.741 0.843 281 HD1 PHE 32 HD1 PHE 32 0.061 11.153 2.471 282 HD2 PHE 32 HD2 PHE 32 -0.782 11.503 -1.726 283 HE1 PHE 32 HE1 PHE 32 -1.960 12.493 2.990 284 HE2 PHE 32 HE2 PHE 32 -2.803 12.844 -1.207 285 HZ PHE 32 HZ PHE 32 -3.393 13.339 1.150 286 H VAL 33 H VAL 33 3.778 10.866 -2.101 287 HA VAL 33 HA VAL 33 2.312 12.630 -3.973 288 HB VAL 33 HB VAL 33 4.555 13.257 -4.920 289 1HG1 VAL 33 1HG1 VAL 33 3.238 14.698 -3.346 290 2HG1 VAL 33 2HG1 VAL 33 4.979 14.949 -3.226 291 3HG1 VAL 33 3HG1 VAL 33 4.141 13.989 -2.007 292 1HG2 VAL 33 1HG2 VAL 33 5.722 11.284 -3.814 293 2HG2 VAL 33 2HG2 VAL 33 5.602 12.169 -2.294 294 3HG2 VAL 33 3HG2 VAL 33 6.541 12.836 -3.628 295 H PHE 34 H PHE 34 2.159 12.016 -6.038 296 HA PHE 34 HA PHE 34 3.388 9.459 -6.858 297 1HB PHE 34 1HB PHE 34 1.144 8.847 -6.352 298 2HB PHE 34 2HB PHE 34 0.501 10.326 -7.052 299 HD1 PHE 34 HD1 PHE 34 -0.954 9.466 -8.715 300 HD2 PHE 34 HD2 PHE 34 3.118 8.110 -8.535 301 HE1 PHE 34 HE1 PHE 34 -1.231 8.335 -10.904 302 HE2 PHE 34 HE2 PHE 34 2.839 6.978 -10.720 303 HZ PHE 34 HZ PHE 34 0.665 7.091 -11.906 304 H LYS 35 H LYS 35 4.661 11.689 -7.561 305 HA LYS 35 HA LYS 35 3.951 12.033 -10.410 306 1HB LYS 35 1HB LYS 35 4.891 14.278 -8.612 307 2HB LYS 35 2HB LYS 35 4.428 14.398 -10.310 308 1HG LYS 35 1HG LYS 35 2.399 15.000 -9.424 309 2HG LYS 35 2HG LYS 35 2.178 13.255 -9.311 310 1HD LYS 35 1HD LYS 35 1.669 13.910 -7.134 311 2HD LYS 35 2HD LYS 35 3.388 13.551 -6.981 312 1HE LYS 35 1HE LYS 35 3.770 16.039 -7.560 313 2HE LYS 35 2HE LYS 35 2.053 16.248 -7.216 314 1HZ LYS 35 1HZ LYS 35 4.129 15.207 -5.369 315 2HZ LYS 35 2HZ LYS 35 2.465 15.198 -5.031 316 3HZ LYS 35 3HZ LYS 35 3.285 16.672 -5.235 317 H ASN 36 H ASN 36 5.587 10.586 -10.979 318 HA ASN 36 HA ASN 36 8.059 11.590 -11.659 319 1HB ASN 36 1HB ASN 36 9.467 10.273 -9.909 320 2HB ASN 36 2HB ASN 36 8.827 11.850 -9.457 321 1HD2 ASN 36 1HD2 ASN 36 7.071 11.917 -7.893 322 2HD2 ASN 36 2HD2 ASN 36 6.616 10.543 -7.007 323 H ASN 37 H ASN 37 6.464 8.758 -10.321 324 HA ASN 37 HA ASN 37 6.076 7.040 -12.229 325 1HB ASN 37 1HB ASN 37 8.200 5.743 -12.654 326 2HB ASN 37 2HB ASN 37 8.159 7.346 -13.379 327 1HD2 ASN 37 1HD2 ASN 37 10.682 6.564 -13.125 328 2HD2 ASN 37 2HD2 ASN 37 11.446 7.193 -11.747 329 H VAL 38 H VAL 38 6.525 7.609 -9.136 330 HA VAL 38 HA VAL 38 6.056 4.863 -8.342 331 HB VAL 38 HB VAL 38 8.333 6.443 -7.115 332 1HG1 VAL 38 1HG1 VAL 38 8.732 4.023 -6.170 333 2HG1 VAL 38 2HG1 VAL 38 7.022 3.798 -6.533 334 3HG1 VAL 38 3HG1 VAL 38 7.529 5.061 -5.410 335 1HG2 VAL 38 1HG2 VAL 38 9.726 4.574 -8.105 336 2HG2 VAL 38 2HG2 VAL 38 9.046 5.689 -9.288 337 3HG2 VAL 38 3HG2 VAL 38 8.308 4.105 -9.041 338 H LEU 39 H LEU 39 5.613 4.818 -5.901 339 HA LEU 39 HA LEU 39 4.238 7.321 -5.101 340 1HB LEU 39 1HB LEU 39 3.418 4.442 -4.992 341 2HB LEU 39 2HB LEU 39 2.897 5.494 -3.678 342 HG LEU 39 HG LEU 39 2.099 7.101 -5.538 343 1HD1 LEU 39 1HD1 LEU 39 2.474 4.529 -7.090 344 2HD1 LEU 39 2HD1 LEU 39 3.184 6.102 -7.446 345 3HD1 LEU 39 3HD1 LEU 39 1.450 5.856 -7.636 346 1HD2 LEU 39 1HD2 LEU 39 0.594 5.776 -4.087 347 2HD2 LEU 39 2HD2 LEU 39 0.738 4.414 -5.200 348 3HD2 LEU 39 3HD2 LEU 39 -0.041 5.906 -5.727 349 H LEU 40 H LEU 40 5.294 8.275 -3.460 350 HA LEU 40 HA LEU 40 6.562 6.513 -1.445 351 1HB LEU 40 1HB LEU 40 7.766 8.484 -3.060 352 2HB LEU 40 2HB LEU 40 7.629 9.225 -1.470 353 HG LEU 40 HG LEU 40 8.697 6.416 -1.719 354 1HD1 LEU 40 1HD1 LEU 40 10.067 7.605 -3.294 355 2HD1 LEU 40 2HD1 LEU 40 10.996 7.481 -1.800 356 3HD1 LEU 40 3HD1 LEU 40 10.198 8.998 -2.220 357 1HD2 LEU 40 1HD2 LEU 40 8.117 7.901 0.454 358 2HD2 LEU 40 2HD2 LEU 40 9.752 8.493 0.157 359 3HD2 LEU 40 3HD2 LEU 40 9.472 6.774 0.425 360 H ILE 41 H ILE 41 6.331 7.017 0.712 361 HA ILE 41 HA ILE 41 4.600 9.302 1.410 362 HB ILE 41 HB ILE 41 4.091 6.428 2.220 363 1HG1 ILE 41 1HG1 ILE 41 1.758 7.344 1.199 364 2HG1 ILE 41 2HG1 ILE 41 2.878 8.329 0.259 365 1HG2 ILE 41 1HG2 ILE 41 2.932 9.055 3.165 366 2HG2 ILE 41 2HG2 ILE 41 3.634 7.761 4.137 367 3HG2 ILE 41 3HG2 ILE 41 2.071 7.528 3.352 368 1HD1 ILE 41 1HD1 ILE 41 2.597 5.337 0.332 369 2HD1 ILE 41 2HD1 ILE 41 4.137 6.064 -0.129 370 3HD1 ILE 41 3HD1 ILE 41 2.681 6.411 -1.064 371 H LEU 42 H LEU 42 5.188 10.298 3.254 372 HA LEU 42 HA LEU 42 7.648 9.640 4.505 373 1HB LEU 42 1HB LEU 42 5.446 11.585 5.155 374 2HB LEU 42 2HB LEU 42 6.835 11.393 6.215 375 HG LEU 42 HG LEU 42 7.010 13.242 4.457 376 1HD1 LEU 42 1HD1 LEU 42 9.330 12.942 4.239 377 2HD1 LEU 42 2HD1 LEU 42 9.194 11.189 4.136 378 3HD1 LEU 42 3HD1 LEU 42 8.938 12.003 5.678 379 1HD2 LEU 42 1HD2 LEU 42 7.472 12.635 2.186 380 2HD2 LEU 42 2HD2 LEU 42 6.009 11.762 2.637 381 3HD2 LEU 42 3HD2 LEU 42 7.559 10.921 2.590 382 H LEU 43 H LEU 43 8.127 8.483 6.248 383 HA LEU 43 HA LEU 43 6.094 7.767 8.208 384 1HB LEU 43 1HB LEU 43 5.905 5.985 6.500 385 2HB LEU 43 2HB LEU 43 7.623 5.642 6.688 386 HG LEU 43 HG LEU 43 7.175 5.233 9.151 387 1HD1 LEU 43 1HD1 LEU 43 5.111 6.264 9.607 388 2HD1 LEU 43 2HD1 LEU 43 4.677 4.559 9.513 389 3HD1 LEU 43 3HD1 LEU 43 4.359 5.625 8.145 390 1HD2 LEU 43 1HD2 LEU 43 6.346 2.979 8.781 391 2HD2 LEU 43 2HD2 LEU 43 7.402 3.426 7.443 392 3HD2 LEU 43 3HD2 LEU 43 5.654 3.452 7.229 393 H GLU 44 H GLU 44 7.108 8.473 9.988 394 HA GLU 44 HA GLU 44 10.003 8.167 10.268 395 1HB GLU 44 1HB GLU 44 7.903 9.543 11.954 396 2HB GLU 44 2HB GLU 44 9.604 9.441 12.410 397 1HG GLU 44 1HG GLU 44 10.214 10.529 10.253 398 2HG GLU 44 2HG GLU 44 8.499 10.706 9.887 399 H ASN 45 H ASN 45 7.006 7.044 11.793 400 HA ASN 45 HA ASN 45 7.857 5.771 14.040 401 1HB ASN 45 1HB ASN 45 5.888 4.779 11.975 402 2HB ASN 45 2HB ASN 45 6.103 4.025 13.554 403 1HD2 ASN 45 1HD2 ASN 45 5.626 5.414 15.488 404 2HD2 ASN 45 2HD2 ASN 45 4.542 6.712 15.329 405 H GLU 46 H GLU 46 9.572 4.546 14.386 406 HA GLU 46 HA GLU 46 10.940 3.094 12.359 407 1HB GLU 46 1HB GLU 46 12.176 3.916 14.251 408 2HB GLU 46 2HB GLU 46 11.146 3.032 15.375 409 1HG GLU 46 1HG GLU 46 11.991 0.925 14.655 410 2HG GLU 46 2HG GLU 46 12.745 1.632 13.227 411 H PHE 47 H PHE 47 8.653 2.145 14.902 412 HA PHE 47 HA PHE 47 8.909 -0.647 14.576 413 1HB PHE 47 1HB PHE 47 7.619 0.833 16.375 414 2HB PHE 47 2HB PHE 47 6.257 0.539 15.295 415 HD1 PHE 47 HD1 PHE 47 5.013 -1.423 15.574 416 HD2 PHE 47 HD2 PHE 47 9.088 -1.306 16.931 417 HE1 PHE 47 HE1 PHE 47 4.767 -3.704 16.515 418 HE2 PHE 47 HE2 PHE 47 8.840 -3.587 17.872 419 HZ PHE 47 HZ PHE 47 6.679 -4.786 17.664 420 H ALA 48 H ALA 48 6.189 1.392 13.482 421 HA ALA 48 HA ALA 48 4.913 -0.347 11.820 422 1HB ALA 48 1HB ALA 48 4.074 1.903 12.166 423 2HB ALA 48 2HB ALA 48 4.283 1.641 10.435 424 3HB ALA 48 3HB ALA 48 5.466 2.589 11.330 425 H ARG 49 H ARG 49 7.186 2.043 10.530 426 HA ARG 49 HA ARG 49 7.624 1.202 8.021 427 1HB ARG 49 1HB ARG 49 8.808 3.058 9.323 428 2HB ARG 49 2HB ARG 49 9.972 1.825 9.807 429 1HG ARG 49 1HG ARG 49 10.558 1.373 7.511 430 2HG ARG 49 2HG ARG 49 9.258 2.403 6.919 431 1HD ARG 49 1HD ARG 49 10.873 4.004 6.813 432 2HD ARG 49 2HD ARG 49 10.612 4.148 8.545 433 HE ARG 49 HE ARG 49 12.634 3.014 8.912 434 1HH1 ARG 49 1HH1 ARG 49 11.715 3.023 5.574 435 2HH1 ARG 49 2HH1 ARG 49 13.256 2.475 5.007 436 1HH2 ARG 49 1HH2 ARG 49 14.656 2.293 8.173 437 2HH2 ARG 49 2HH2 ARG 49 14.920 2.059 6.477 438 H ASN 50 H ASN 50 9.021 -0.336 10.897 439 HA ASN 50 HA ASN 50 10.749 -2.115 9.651 440 1HB ASN 50 1HB ASN 50 10.434 -1.647 12.144 441 2HB ASN 50 2HB ASN 50 9.136 -2.838 12.090 442 1HD2 ASN 50 1HD2 ASN 50 12.497 -2.490 12.504 443 2HD2 ASN 50 2HD2 ASN 50 12.933 -4.114 12.267 444 H SER 51 H SER 51 7.363 -2.493 10.586 445 HA SER 51 HA SER 51 7.002 -5.123 9.477 446 1HB SER 51 1HB SER 51 4.862 -4.927 10.388 447 2HB SER 51 2HB SER 51 5.870 -4.020 11.495 448 HG SER 51 HG SER 51 4.996 -2.202 10.814 449 H LEU 52 H LEU 52 5.606 -1.947 8.809 450 HA LEU 52 HA LEU 52 3.990 -2.498 6.680 451 1HB LEU 52 1HB LEU 52 5.689 -0.101 7.304 452 2HB LEU 52 2HB LEU 52 4.714 -0.147 5.838 453 HG LEU 52 HG LEU 52 3.613 -0.650 8.620 454 1HD1 LEU 52 1HD1 LEU 52 4.504 1.703 8.156 455 2HD1 LEU 52 2HD1 LEU 52 2.811 1.595 8.633 456 3HD1 LEU 52 3HD1 LEU 52 3.237 1.836 6.939 457 1HD2 LEU 52 1HD2 LEU 52 1.993 -1.581 7.276 458 2HD2 LEU 52 2HD2 LEU 52 2.494 -0.668 5.854 459 3HD2 LEU 52 3HD2 LEU 52 1.504 0.101 7.092 460 H ASN 53 H ASN 53 7.446 -1.590 6.414 461 HA ASN 53 HA ASN 53 7.526 -2.137 3.617 462 1HB ASN 53 1HB ASN 53 9.832 -1.617 3.727 463 2HB ASN 53 2HB ASN 53 9.082 -0.590 4.946 464 1HD2 ASN 53 1HD2 ASN 53 8.718 -3.200 6.629 465 2HD2 ASN 53 2HD2 ASN 53 10.247 -3.413 7.335 466 H ASP 54 H ASP 54 7.461 -4.182 6.303 467 HA ASP 54 HA ASP 54 9.152 -6.271 5.281 468 1HB ASP 54 1HB ASP 54 8.303 -5.904 7.721 469 2HB ASP 54 2HB ASP 54 6.853 -6.739 7.169 470 H ASN 55 H ASN 55 5.863 -5.249 4.921 471 HA ASN 55 HA ASN 55 5.475 -7.123 2.713 472 1HB ASN 55 1HB ASN 55 4.630 -8.285 4.776 473 2HB ASN 55 2HB ASN 55 3.471 -6.973 4.976 474 1HD2 ASN 55 1HD2 ASN 55 1.807 -6.715 3.258 475 2HD2 ASN 55 2HD2 ASN 55 1.411 -8.030 2.260 476 H SER 56 H SER 56 5.856 -4.703 2.054 477 HA SER 56 HA SER 56 3.376 -3.136 2.165 478 1HB SER 56 1HB SER 56 5.399 -1.909 2.656 479 2HB SER 56 2HB SER 56 6.152 -2.468 1.167 480 HG SER 56 HG SER 56 4.128 -1.447 0.205 481 H GLU 57 H GLU 57 2.910 -5.335 0.685 482 HA GLU 57 HA GLU 57 3.479 -4.885 -2.116 483 1HB GLU 57 1HB GLU 57 1.383 -6.766 -1.039 484 2HB GLU 57 2HB GLU 57 2.341 -6.911 -2.514 485 1HG GLU 57 1HG GLU 57 4.394 -7.117 -1.075 486 2HG GLU 57 2HG GLU 57 3.339 -7.171 0.335 487 H ILE 58 H ILE 58 2.359 -2.611 -1.130 488 HA ILE 58 HA ILE 58 -0.445 -2.434 -1.283 489 HB ILE 58 HB ILE 58 1.506 -0.236 -1.957 490 1HG1 ILE 58 1HG1 ILE 58 2.260 -1.217 0.119 491 2HG1 ILE 58 2HG1 ILE 58 1.394 0.266 0.515 492 1HG2 ILE 58 1HG2 ILE 58 -1.346 -0.347 -0.994 493 2HG2 ILE 58 2HG2 ILE 58 -0.679 0.534 -2.368 494 3HG2 ILE 58 3HG2 ILE 58 -0.347 1.081 -0.726 495 1HD1 ILE 58 1HD1 ILE 58 0.500 -1.281 2.040 496 2HD1 ILE 58 2HD1 ILE 58 0.494 -2.587 0.856 497 3HD1 ILE 58 3HD1 ILE 58 -0.690 -1.286 0.740 498 H ILE 59 H ILE 59 1.546 -3.365 -3.709 499 HA ILE 59 HA ILE 59 0.202 -1.892 -5.852 500 HB ILE 59 HB ILE 59 2.522 -2.227 -6.243 501 1HG1 ILE 59 1HG1 ILE 59 1.425 -4.534 -7.831 502 2HG1 ILE 59 2HG1 ILE 59 0.750 -2.925 -8.087 503 1HG2 ILE 59 1HG2 ILE 59 3.531 -4.521 -6.198 504 2HG2 ILE 59 2HG2 ILE 59 2.009 -5.133 -5.547 505 3HG2 ILE 59 3HG2 ILE 59 2.962 -3.974 -4.619 506 1HD1 ILE 59 1HD1 ILE 59 3.690 -3.649 -8.279 507 2HD1 ILE 59 2HD1 ILE 59 3.012 -2.040 -8.526 508 3HD1 ILE 59 3HD1 ILE 59 2.615 -3.345 -9.644 509 H HIS 60 H HIS 60 0.151 -4.980 -4.265 510 HA HIS 60 HA HIS 60 -1.290 -6.602 -6.096 511 1HB HIS 60 1HB HIS 60 -0.992 -6.503 -3.113 512 2HB HIS 60 2HB HIS 60 -2.208 -7.556 -3.834 513 HD1 HIS 60 HD1 HIS 60 1.516 -6.820 -4.304 514 HD2 HIS 60 HD2 HIS 60 -1.172 -9.994 -4.590 515 HE1 HIS 60 HE1 HIS 60 2.889 -8.872 -4.867 516 HE2 HIS 60 HE2 HIS 60 1.264 -10.817 -5.046 517 H LEU 61 H LEU 61 -2.290 -3.739 -4.490 518 HA LEU 61 HA LEU 61 -5.084 -4.352 -5.254 519 1HB LEU 61 1HB LEU 61 -4.778 -2.368 -3.118 520 2HB LEU 61 2HB LEU 61 -5.862 -3.754 -3.217 521 HG LEU 61 HG LEU 61 -3.734 -5.177 -2.758 522 1HD1 LEU 61 1HD1 LEU 61 -2.404 -2.858 -3.037 523 2HD1 LEU 61 2HD1 LEU 61 -1.835 -4.136 -1.965 524 3HD1 LEU 61 3HD1 LEU 61 -2.729 -2.766 -1.308 525 1HD2 LEU 61 1HD2 LEU 61 -5.649 -4.748 -1.166 526 2HD2 LEU 61 2HD2 LEU 61 -4.742 -3.369 -0.543 527 3HD2 LEU 61 3HD2 LEU 61 -4.095 -5.000 -0.371 528 H ALA 62 H ALA 62 -2.737 -1.782 -4.558 529 HA ALA 62 HA ALA 62 -4.157 0.317 -5.776 530 1HB ALA 62 1HB ALA 62 -1.151 0.047 -5.582 531 2HB ALA 62 2HB ALA 62 -2.182 0.555 -4.244 532 3HB ALA 62 3HB ALA 62 -2.082 1.540 -5.703 533 H GLU 63 H GLU 63 -3.395 -2.390 -7.299 534 HA GLU 63 HA GLU 63 -2.241 -1.226 -9.719 535 1HB GLU 63 1HB GLU 63 -2.375 -3.586 -10.578 536 2HB GLU 63 2HB GLU 63 -1.403 -3.407 -9.118 537 1HG GLU 63 1HG GLU 63 -3.339 -4.115 -7.749 538 2HG GLU 63 2HG GLU 63 -4.296 -4.313 -9.215 539 H SER 64 H SER 64 -4.966 -0.514 -8.722 540 HA SER 64 HA SER 64 -6.524 -1.327 -11.112 541 1HB SER 64 1HB SER 64 -8.547 -1.037 -9.711 542 2HB SER 64 2HB SER 64 -7.488 -2.303 -9.095 543 HG SER 64 HG SER 64 -7.899 -1.088 -7.346 544 H LEU 65 H LEU 65 -6.823 1.128 -8.557 545 HA LEU 65 HA LEU 65 -8.092 3.119 -9.862 546 1HB LEU 65 1HB LEU 65 -6.493 2.920 -7.537 547 2HB LEU 65 2HB LEU 65 -5.892 4.317 -8.424 548 HG LEU 65 HG LEU 65 -7.674 5.014 -6.915 549 1HD1 LEU 65 1HD1 LEU 65 -9.186 5.118 -9.460 550 2HD1 LEU 65 2HD1 LEU 65 -7.510 5.654 -9.570 551 3HD1 LEU 65 3HD1 LEU 65 -8.610 6.430 -8.435 552 1HD2 LEU 65 1HD2 LEU 65 -9.348 3.575 -6.455 553 2HD2 LEU 65 2HD2 LEU 65 -8.870 2.527 -7.788 554 3HD2 LEU 65 3HD2 LEU 65 -9.996 3.854 -8.070 555 H TYR 66 H TYR 66 -4.812 2.086 -10.431 556 HA TYR 66 HA TYR 66 -4.522 4.208 -12.483 557 1HB TYR 66 1HB TYR 66 -2.266 2.758 -11.096 558 2HB TYR 66 2HB TYR 66 -2.157 4.182 -12.125 559 HD1 TYR 66 HD1 TYR 66 -2.516 6.374 -11.255 560 HD2 TYR 66 HD2 TYR 66 -3.426 2.928 -8.855 561 HE1 TYR 66 HE1 TYR 66 -2.808 7.832 -9.268 562 HE2 TYR 66 HE2 TYR 66 -3.720 4.391 -6.869 563 HH TYR 66 HH TYR 66 -2.657 7.559 -6.752 564 H GLU 67 H GLU 67 -2.945 3.511 -14.251 565 HA GLU 67 HA GLU 67 -3.986 1.293 -15.618 566 1HB GLU 67 1HB GLU 67 -2.086 1.595 -17.163 567 2HB GLU 67 2HB GLU 67 -2.846 3.137 -16.764 568 1HG GLU 67 1HG GLU 67 -1.091 3.350 -14.912 569 2HG GLU 67 2HG GLU 67 -0.257 2.007 -15.690 570 H GLY 68 H GLY 68 -1.311 1.590 -13.380 571 1HA GLY 68 1HA GLY 68 -1.184 -0.958 -12.466 572 2HA GLY 68 2HA GLY 68 -0.237 -1.037 -13.949 573 H ILE 69 H ILE 69 -0.468 0.436 -10.764 574 HA ILE 69 HA ILE 69 1.709 2.110 -10.696 575 HB ILE 69 HB ILE 69 0.895 0.156 -8.531 576 1HG1 ILE 69 1HG1 ILE 69 -0.839 1.827 -9.582 577 2HG1 ILE 69 2HG1 ILE 69 -0.713 1.705 -7.831 578 1HG2 ILE 69 1HG2 ILE 69 2.998 1.049 -7.912 579 2HG2 ILE 69 2HG2 ILE 69 1.828 2.080 -7.087 580 3HG2 ILE 69 3HG2 ILE 69 2.610 2.640 -8.565 581 1HD1 ILE 69 1HD1 ILE 69 -0.694 4.074 -9.000 582 2HD1 ILE 69 2HD1 ILE 69 1.008 3.706 -9.264 583 3HD1 ILE 69 3HD1 ILE 69 0.360 3.755 -7.626 584 H LYS 70 H LYS 70 3.915 1.894 -10.300 585 HA LYS 70 HA LYS 70 5.083 -0.592 -11.244 586 1HB LYS 70 1HB LYS 70 5.834 2.163 -11.206 587 2HB LYS 70 2HB LYS 70 7.068 1.263 -10.328 588 1HG LYS 70 1HG LYS 70 7.746 1.229 -12.621 589 2HG LYS 70 2HG LYS 70 7.090 -0.372 -12.291 590 1HD LYS 70 1HD LYS 70 5.920 0.064 -14.225 591 2HD LYS 70 2HD LYS 70 4.819 0.841 -13.090 592 1HE LYS 70 1HE LYS 70 6.831 2.103 -14.940 593 2HE LYS 70 2HE LYS 70 5.132 2.512 -14.705 594 1HZ LYS 70 1HZ LYS 70 5.642 3.393 -12.545 595 2HZ LYS 70 2HZ LYS 70 6.652 4.131 -13.694 596 3HZ LYS 70 3HZ LYS 70 7.263 2.915 -12.678 597 H SER 71 H SER 71 4.941 1.306 -8.265 598 HA SER 71 HA SER 71 5.241 -0.956 -6.594 599 1HB SER 71 1HB SER 71 7.544 -1.020 -7.231 600 2HB SER 71 2HB SER 71 7.710 0.724 -7.049 601 HG SER 71 HG SER 71 7.557 -1.292 -5.116 602 H VAL 72 H VAL 72 5.843 -0.177 -4.268 603 HA VAL 72 HA VAL 72 5.029 2.579 -3.712 604 HB VAL 72 HB VAL 72 3.562 0.276 -2.423 605 1HG1 VAL 72 1HG1 VAL 72 2.016 2.044 -1.722 606 2HG1 VAL 72 2HG1 VAL 72 2.955 3.241 -2.614 607 3HG1 VAL 72 3HG1 VAL 72 3.655 2.440 -1.208 608 1HG2 VAL 72 1HG2 VAL 72 2.779 1.951 -4.826 609 2HG2 VAL 72 2HG2 VAL 72 1.633 0.986 -3.899 610 3HG2 VAL 72 3HG2 VAL 72 2.953 0.198 -4.762 611 H ASN 73 H ASN 73 5.690 3.305 -1.670 612 HA ASN 73 HA ASN 73 6.693 1.588 0.363 613 1HB ASN 73 1HB ASN 73 8.431 1.421 -1.563 614 2HB ASN 73 2HB ASN 73 8.913 3.035 -1.049 615 1HD2 ASN 73 1HD2 ASN 73 9.758 -0.121 -0.606 616 2HD2 ASN 73 2HD2 ASN 73 10.359 -0.041 0.980 617 H PHE 74 H PHE 74 7.696 2.691 2.115 618 HA PHE 74 HA PHE 74 7.327 5.624 2.150 619 1HB PHE 74 1HB PHE 74 6.767 4.672 4.751 620 2HB PHE 74 2HB PHE 74 5.626 5.387 3.616 621 HD1 PHE 74 HD1 PHE 74 3.721 4.119 3.183 622 HD2 PHE 74 HD2 PHE 74 7.426 2.111 4.028 623 HE1 PHE 74 HE1 PHE 74 2.587 1.925 2.953 624 HE2 PHE 74 HE2 PHE 74 6.290 -0.081 3.798 625 HZ PHE 74 HZ PHE 74 3.871 -0.174 3.260 626 H VAL 75 H VAL 75 8.782 6.735 3.517 627 HA VAL 75 HA VAL 75 10.844 5.121 4.854 628 HB VAL 75 HB VAL 75 12.646 6.347 3.787 629 1HG1 VAL 75 1HG1 VAL 75 10.713 5.295 1.703 630 2HG1 VAL 75 2HG1 VAL 75 11.731 4.274 2.719 631 3HG1 VAL 75 3HG1 VAL 75 12.469 5.382 1.563 632 1HG2 VAL 75 1HG2 VAL 75 10.370 7.738 2.345 633 2HG2 VAL 75 2HG2 VAL 75 12.048 7.822 1.810 634 3HG2 VAL 75 3HG2 VAL 75 11.589 8.481 3.379 635 H ASN 76 H ASN 76 12.581 7.395 5.242 636 HA ASN 76 HA ASN 76 10.967 8.841 7.250 637 1HB ASN 76 1HB ASN 76 13.959 8.868 7.243 638 2HB ASN 76 2HB ASN 76 12.841 8.965 8.600 639 1HD2 ASN 76 1HD2 ASN 76 15.137 6.970 7.664 640 2HD2 ASN 76 2HD2 ASN 76 14.429 5.456 7.962 641 H GLU 77 H GLU 77 11.533 11.093 7.650 642 HA GLU 77 HA GLU 77 11.133 12.828 5.666 643 1HB GLU 77 1HB GLU 77 11.380 13.471 8.036 644 2HB GLU 77 2HB GLU 77 13.130 13.311 7.886 645 1HG GLU 77 1HG GLU 77 11.612 15.082 5.981 646 2HG GLU 77 2HG GLU 77 12.039 15.673 7.585 647 H GLN 78 H GLN 78 14.506 12.368 6.768 648 HA GLN 78 HA GLN 78 15.732 13.607 4.625 649 1HB GLN 78 1HB GLN 78 16.773 12.738 6.801 650 2HB GLN 78 2HB GLN 78 16.903 11.182 5.982 651 1HG GLN 78 1HG GLN 78 18.253 12.172 4.214 652 2HG GLN 78 2HG GLN 78 18.038 13.778 4.908 653 1HE2 GLN 78 1HE2 GLN 78 19.543 10.593 5.528 654 2HE2 GLN 78 2HE2 GLN 78 20.677 11.173 6.649 655 H ASP 79 H ASP 79 15.050 10.119 4.971 656 HA ASP 79 HA ASP 79 16.126 9.243 2.573 657 1HB ASP 79 1HB ASP 79 13.744 8.304 4.157 658 2HB ASP 79 2HB ASP 79 14.257 7.484 2.682 659 H PHE 80 H PHE 80 12.651 10.022 3.068 660 HA PHE 80 HA PHE 80 11.705 9.860 0.527 661 1HB PHE 80 1HB PHE 80 10.159 10.480 2.187 662 2HB PHE 80 2HB PHE 80 11.128 11.856 2.709 663 HD1 PHE 80 HD1 PHE 80 10.089 13.884 2.216 664 HD2 PHE 80 HD2 PHE 80 9.824 10.661 -0.609 665 HE1 PHE 80 HE1 PHE 80 8.826 15.349 0.665 666 HE2 PHE 80 HE2 PHE 80 8.561 12.125 -2.161 667 HZ PHE 80 HZ PHE 80 8.062 14.469 -1.524 668 H PHE 81 H PHE 81 13.445 12.649 1.901 669 HA PHE 81 HA PHE 81 13.356 14.350 -0.308 670 1HB PHE 81 1HB PHE 81 14.218 14.965 1.950 671 2HB PHE 81 2HB PHE 81 15.676 14.038 1.605 672 HD1 PHE 81 HD1 PHE 81 13.531 16.686 0.030 673 HD2 PHE 81 HD2 PHE 81 17.495 15.156 0.660 674 HE1 PHE 81 HE1 PHE 81 14.475 18.624 -1.196 675 HE2 PHE 81 HE2 PHE 81 18.439 17.093 -0.565 676 HZ PHE 81 HZ PHE 81 16.928 18.827 -1.494 677 H PHE 82 H PHE 82 16.202 12.420 0.631 678 HA PHE 82 HA PHE 82 17.810 12.609 -1.503 679 1HB PHE 82 1HB PHE 82 18.030 11.072 0.551 680 2HB PHE 82 2HB PHE 82 17.180 9.868 -0.417 681 HD1 PHE 82 HD1 PHE 82 20.083 12.234 -0.605 682 HD2 PHE 82 HD2 PHE 82 18.394 8.495 -1.878 683 HE1 PHE 82 HE1 PHE 82 22.201 11.673 -1.768 684 HE2 PHE 82 HE2 PHE 82 20.512 7.934 -3.040 685 HZ PHE 82 HZ PHE 82 22.414 9.524 -2.985 686 H ASN 83 H ASN 83 14.741 10.918 -1.463 687 HA ASN 83 HA ASN 83 15.125 9.606 -3.992 688 1HB ASN 83 1HB ASN 83 13.528 8.925 -2.093 689 2HB ASN 83 2HB ASN 83 12.458 10.179 -2.714 690 1HD2 ASN 83 1HD2 ASN 83 11.147 9.612 -4.474 691 2HD2 ASN 83 2HD2 ASN 83 11.338 8.199 -5.394 692 H LEU 84 H LEU 84 13.151 12.392 -2.936 693 HA LEU 84 HA LEU 84 12.490 13.085 -5.667 694 1HB LEU 84 1HB LEU 84 11.128 14.778 -4.752 695 2HB LEU 84 2HB LEU 84 11.021 13.453 -3.598 696 HG LEU 84 HG LEU 84 13.173 14.781 -2.586 697 1HD1 LEU 84 1HD1 LEU 84 12.591 16.558 -4.468 698 2HD1 LEU 84 2HD1 LEU 84 13.067 17.089 -2.857 699 3HD1 LEU 84 3HD1 LEU 84 11.364 17.065 -3.310 700 1HD2 LEU 84 1HD2 LEU 84 11.592 15.747 -0.947 701 2HD2 LEU 84 2HD2 LEU 84 11.164 14.082 -1.339 702 3HD2 LEU 84 3HD2 LEU 84 10.256 15.417 -2.049 703 H ALA 85 H ALA 85 15.057 13.694 -3.531 704 HA ALA 85 HA ALA 85 15.793 16.279 -4.569 705 1HB ALA 85 1HB ALA 85 16.379 15.384 -2.257 706 2HB ALA 85 2HB ALA 85 17.705 16.128 -3.153 707 3HB ALA 85 3HB ALA 85 17.582 14.371 -3.057 708 H LYS 86 H LYS 86 16.592 12.926 -5.235 709 HA LYS 86 HA LYS 86 18.915 13.199 -6.733 710 1HB LYS 86 1HB LYS 86 17.727 11.051 -6.067 711 2HB LYS 86 2HB LYS 86 16.667 11.312 -7.449 712 1HG LYS 86 1HG LYS 86 18.281 10.059 -8.512 713 2HG LYS 86 2HG LYS 86 19.036 11.641 -8.688 714 1HD LYS 86 1HD LYS 86 20.796 10.410 -7.787 715 2HD LYS 86 2HD LYS 86 20.075 11.082 -6.324 716 1HE LYS 86 1HE LYS 86 18.674 8.955 -6.188 717 2HE LYS 86 2HE LYS 86 19.707 8.299 -7.458 718 1HZ LYS 86 1HZ LYS 86 21.488 8.183 -6.085 719 2HZ LYS 86 2HZ LYS 86 20.269 8.000 -4.917 720 3HZ LYS 86 3HZ LYS 86 21.013 9.510 -5.144 721 H LEU 87 H LEU 87 15.879 12.508 -8.419 722 HA LEU 87 HA LEU 87 15.266 13.101 -10.574 723 1HB LEU 87 1HB LEU 87 14.954 15.188 -8.715 724 2HB LEU 87 2HB LEU 87 15.609 15.957 -10.157 725 HG LEU 87 HG LEU 87 13.815 14.615 -11.456 726 1HD1 LEU 87 1HD1 LEU 87 12.761 14.419 -8.617 727 2HD1 LEU 87 2HD1 LEU 87 13.171 13.074 -9.679 728 3HD1 LEU 87 3HD1 LEU 87 11.795 14.108 -10.060 729 1HD2 LEU 87 1HD2 LEU 87 12.095 16.340 -10.942 730 2HD2 LEU 87 2HD2 LEU 87 13.702 17.044 -11.130 731 3HD2 LEU 87 3HD2 LEU 87 13.023 16.815 -9.519 732 H GLU 88 H GLU 88 15.905 15.377 -12.085 733 HA GLU 88 HA GLU 88 17.414 16.091 -13.656 734 1HB GLU 88 1HB GLU 88 18.563 16.727 -11.402 735 2HB GLU 88 2HB GLU 88 19.652 15.391 -11.773 736 1HG GLU 88 1HG GLU 88 20.019 16.454 -14.045 737 2HG GLU 88 2HG GLU 88 19.128 17.855 -13.454 738 H GLU 89 H GLU 89 20.273 14.797 -13.370 739 HA GLU 89 HA GLU 89 21.380 13.223 -14.649 740 1HB GLU 89 1HB GLU 89 19.261 11.451 -13.410 741 2HB GLU 89 2HB GLU 89 20.808 10.918 -14.070 742 1HG GLU 89 1HG GLU 89 22.020 12.199 -12.397 743 2HG GLU 89 2HG GLU 89 20.517 12.891 -11.789 744 H ASN 90 H ASN 90 20.108 14.530 -16.450 745 HA ASN 90 HA ASN 90 17.960 13.607 -17.860 746 1HB ASN 90 1HB ASN 90 18.959 14.578 -19.854 747 2HB ASN 90 2HB ASN 90 19.298 15.607 -18.465 748 1HD2 ASN 90 1HD2 ASN 90 21.491 14.652 -17.267 749 2HD2 ASN 90 2HD2 ASN 90 22.790 14.459 -18.343 750 H SER 91 H SER 91 17.559 12.071 -19.435 751 HA SER 91 HA SER 91 19.661 10.210 -20.221 752 1HB SER 91 1HB SER 91 18.646 8.257 -19.333 753 2HB SER 91 2HB SER 91 18.675 9.412 -18.003 754 HG SER 91 HG SER 91 16.472 9.201 -19.762 755 H ARG 92 H ARG 92 19.034 8.838 -21.974 756 HA ARG 92 HA ARG 92 17.022 10.070 -23.678 757 1HB ARG 92 1HB ARG 92 18.740 7.668 -24.312 758 2HB ARG 92 2HB ARG 92 17.958 8.770 -25.443 759 1HG ARG 92 1HG ARG 92 20.227 9.442 -23.549 760 2HG ARG 92 2HG ARG 92 20.321 9.336 -25.306 761 1HD ARG 92 1HD ARG 92 18.448 11.140 -25.290 762 2HD ARG 92 2HD ARG 92 18.935 11.408 -23.620 763 HE ARG 92 HE ARG 92 20.409 12.165 -25.981 764 1HH1 ARG 92 1HH1 ARG 92 20.577 11.266 -22.644 765 2HH1 ARG 92 2HH1 ARG 92 22.074 12.088 -22.355 766 1HH2 ARG 92 1HH2 ARG 92 22.371 13.248 -25.610 767 2HH2 ARG 92 2HH2 ARG 92 23.089 13.211 -24.034 768 H ASP 93 H ASP 93 17.102 7.034 -24.750 769 HA ASP 93 HA ASP 93 14.478 6.370 -24.383 770 1HB ASP 93 1HB ASP 93 15.225 3.966 -24.643 771 2HB ASP 93 2HB ASP 93 15.805 5.073 -25.887 772 H THR 94 H THR 94 13.286 5.122 -22.933 773 HA THR 94 HA THR 94 14.330 5.123 -20.191 774 HB THR 94 HB THR 94 12.113 6.128 -20.624 775 HG1 THR 94 HG1 THR 94 11.075 5.006 -18.972 776 1HG2 THR 94 1HG2 THR 94 10.278 4.849 -21.431 777 2HG2 THR 94 2HG2 THR 94 11.161 3.333 -21.253 778 3HG2 THR 94 3HG2 THR 94 11.616 4.475 -22.517 779 H LEU 95 H LEU 95 14.089 3.258 -18.825 780 HA LEU 95 HA LEU 95 14.606 1.052 -18.395 781 1HB LEU 95 1HB LEU 95 12.146 1.125 -20.043 782 2HB LEU 95 2HB LEU 95 12.940 -0.446 -19.951 783 HG LEU 95 HG LEU 95 12.965 -0.239 -17.457 784 1HD1 LEU 95 1HD1 LEU 95 11.169 2.155 -17.960 785 2HD1 LEU 95 2HD1 LEU 95 12.850 2.269 -17.438 786 3HD1 LEU 95 3HD1 LEU 95 11.651 1.509 -16.391 787 1HD2 LEU 95 1HD2 LEU 95 10.669 -0.851 -17.176 788 2HD2 LEU 95 2HD2 LEU 95 11.098 -1.348 -18.813 789 3HD2 LEU 95 3HD2 LEU 95 10.168 0.128 -18.555 790 H TYR 96 H TYR 96 16.662 0.722 -19.115 791 HA TYR 96 HA TYR 96 17.523 0.576 -21.771 792 1HB TYR 96 1HB TYR 96 18.873 0.655 -19.534 793 2HB TYR 96 2HB TYR 96 18.787 -1.104 -19.620 794 HD1 TYR 96 HD1 TYR 96 20.220 -2.318 -21.063 795 HD2 TYR 96 HD2 TYR 96 19.790 1.927 -21.554 796 HE1 TYR 96 HE1 TYR 96 22.072 -2.321 -22.711 797 HE2 TYR 96 HE2 TYR 96 21.643 1.923 -23.202 798 HH TYR 96 HH TYR 96 23.594 0.531 -23.770 799 H GLN 97 H GLN 97 15.888 -0.633 -22.881 800 HA GLN 97 HA GLN 97 16.540 -3.393 -23.206 801 1HB GLN 97 1HB GLN 97 15.247 -3.643 -21.148 802 2HB GLN 97 2HB GLN 97 13.904 -2.748 -21.861 803 1HG GLN 97 1HG GLN 97 13.530 -4.464 -23.506 804 2HG GLN 97 2HG GLN 97 15.017 -5.296 -23.057 805 1HE2 GLN 97 1HE2 GLN 97 13.546 -7.215 -22.647 806 2HE2 GLN 97 2HE2 GLN 97 12.724 -7.303 -21.165 807 H ASN 98 H ASN 98 13.367 -1.805 -23.430 808 HA ASN 98 HA ASN 98 13.664 -1.395 -26.296 809 1HB ASN 98 1HB ASN 98 11.752 -2.789 -26.903 810 2HB ASN 98 2HB ASN 98 13.004 -3.771 -26.145 811 1HD2 ASN 98 1HD2 ASN 98 11.781 -5.362 -25.063 812 2HD2 ASN 98 2HD2 ASN 98 10.562 -5.014 -23.935 813 H SER 99 H SER 99 10.903 -1.196 -26.857 814 HA SER 99 HA SER 99 10.099 1.056 -25.103 815 1HB SER 99 1HB SER 99 9.610 0.792 -28.078 816 2HB SER 99 2HB SER 99 9.171 2.159 -27.058 817 HG SER 99 HG SER 99 11.279 2.132 -28.332 818 H GLY 100 H GLY 100 8.489 -0.648 -27.776 819 1HA GLY 100 1HA GLY 100 6.549 -1.895 -27.837 820 2HA GLY 100 2HA GLY 100 6.683 -2.091 -26.092 Start of MODEL 7 1 H MET 1 H MET 1 -8.441 16.042 -5.618 2 HA MET 1 HA MET 1 -10.744 15.559 -5.179 3 1HB MET 1 1HB MET 1 -9.776 13.758 -7.410 4 2HB MET 1 2HB MET 1 -11.294 14.652 -7.325 5 1HG MET 1 1HG MET 1 -9.945 15.969 -8.749 6 2HG MET 1 2HG MET 1 -9.812 16.769 -7.183 7 1HE MET 1 1HE MET 1 -7.713 15.434 -10.153 8 2HE MET 1 2HE MET 1 -8.555 14.072 -9.418 9 3HE MET 1 3HE MET 1 -6.795 14.143 -9.365 10 H GLU 2 H GLU 2 -11.480 12.891 -6.522 11 HA GLU 2 HA GLU 2 -11.890 11.436 -4.053 12 1HB GLU 2 1HB GLU 2 -13.154 9.871 -5.483 13 2HB GLU 2 2HB GLU 2 -13.666 11.540 -5.740 14 1HG GLU 2 1HG GLU 2 -12.088 11.648 -7.695 15 2HG GLU 2 2HG GLU 2 -11.795 9.923 -7.489 16 H GLN 3 H GLN 3 -9.565 11.480 -6.543 17 HA GLN 3 HA GLN 3 -8.696 8.940 -6.946 18 1HB GLN 3 1HB GLN 3 -7.666 11.140 -7.749 19 2HB GLN 3 2HB GLN 3 -6.766 11.145 -6.233 20 1HG GLN 3 1HG GLN 3 -6.007 8.781 -6.835 21 2HG GLN 3 2HG GLN 3 -6.665 9.083 -8.442 22 1HE2 GLN 3 1HE2 GLN 3 -5.859 11.406 -9.325 23 2HE2 GLN 3 2HE2 GLN 3 -4.198 11.688 -9.125 24 H PHE 4 H PHE 4 -6.954 10.838 -4.507 25 HA PHE 4 HA PHE 4 -5.816 8.738 -3.142 26 1HB PHE 4 1HB PHE 4 -5.244 10.254 -1.506 27 2HB PHE 4 2HB PHE 4 -5.691 11.371 -2.792 28 HD1 PHE 4 HD1 PHE 4 -6.197 10.567 0.598 29 HD2 PHE 4 HD2 PHE 4 -8.298 11.958 -2.881 30 HE1 PHE 4 HE1 PHE 4 -7.954 11.543 2.050 31 HE2 PHE 4 HE2 PHE 4 -10.056 12.934 -1.427 32 HZ PHE 4 HZ PHE 4 -9.884 12.727 1.037 33 H ASN 5 H ASN 5 -9.029 10.136 -2.580 34 HA ASN 5 HA ASN 5 -9.725 8.473 -0.408 35 1HB ASN 5 1HB ASN 5 -10.940 10.562 -1.231 36 2HB ASN 5 2HB ASN 5 -11.674 9.529 -2.455 37 1HD2 ASN 5 1HD2 ASN 5 -12.551 7.323 -1.341 38 2HD2 ASN 5 2HD2 ASN 5 -13.469 7.581 0.062 39 H ALA 6 H ALA 6 -9.646 7.928 -3.851 40 HA ALA 6 HA ALA 6 -11.329 5.580 -3.783 41 1HB ALA 6 1HB ALA 6 -10.783 5.350 -6.119 42 2HB ALA 6 2HB ALA 6 -9.413 6.446 -5.957 43 3HB ALA 6 3HB ALA 6 -11.057 7.061 -5.793 44 H PHE 7 H PHE 7 -7.867 5.998 -4.591 45 HA PHE 7 HA PHE 7 -7.204 3.277 -4.515 46 1HB PHE 7 1HB PHE 7 -5.401 4.360 -5.375 47 2HB PHE 7 2HB PHE 7 -5.739 5.835 -4.473 48 HD1 PHE 7 HD1 PHE 7 -4.508 6.365 -2.528 49 HD2 PHE 7 HD2 PHE 7 -4.393 2.368 -4.095 50 HE1 PHE 7 HE1 PHE 7 -2.729 5.780 -0.903 51 HE2 PHE 7 HE2 PHE 7 -2.613 1.781 -2.470 52 HZ PHE 7 HZ PHE 7 -1.782 3.488 -0.873 53 H LYS 8 H LYS 8 -7.203 5.725 -1.970 54 HA LYS 8 HA LYS 8 -6.131 4.070 0.079 55 1HB LYS 8 1HB LYS 8 -6.273 6.604 0.057 56 2HB LYS 8 2HB LYS 8 -7.970 6.417 0.500 57 1HG LYS 8 1HG LYS 8 -7.154 4.918 2.409 58 2HG LYS 8 2HG LYS 8 -5.534 5.519 2.053 59 1HD LYS 8 1HD LYS 8 -7.950 7.115 2.942 60 2HD LYS 8 2HD LYS 8 -6.408 6.936 3.779 61 1HE LYS 8 1HE LYS 8 -5.363 8.013 1.669 62 2HE LYS 8 2HE LYS 8 -7.011 8.503 1.274 63 1HZ LYS 8 1HZ LYS 8 -7.086 9.961 2.975 64 2HZ LYS 8 2HZ LYS 8 -5.398 9.958 2.778 65 3HZ LYS 8 3HZ LYS 8 -6.116 9.015 3.994 66 H SER 9 H SER 9 -9.492 4.946 -0.801 67 HA SER 9 HA SER 9 -10.671 3.621 1.327 68 1HB SER 9 1HB SER 9 -12.704 3.418 -0.266 69 2HB SER 9 2HB SER 9 -12.095 5.042 0.041 70 HG SER 9 HG SER 9 -12.018 3.492 -2.255 71 H LEU 10 H LEU 10 -9.114 2.460 -1.463 72 HA LEU 10 HA LEU 10 -10.294 -0.140 -1.619 73 1HB LEU 10 1HB LEU 10 -8.712 1.237 -3.294 74 2HB LEU 10 2HB LEU 10 -7.466 0.293 -2.480 75 HG LEU 10 HG LEU 10 -9.901 -0.777 -3.937 76 1HD1 LEU 10 1HD1 LEU 10 -6.939 -0.699 -4.485 77 2HD1 LEU 10 2HD1 LEU 10 -8.278 -0.332 -5.569 78 3HD1 LEU 10 3HD1 LEU 10 -7.921 -2.007 -5.147 79 1HD2 LEU 10 1HD2 LEU 10 -7.884 -2.110 -2.126 80 2HD2 LEU 10 2HD2 LEU 10 -8.725 -3.018 -3.381 81 3HD2 LEU 10 3HD2 LEU 10 -9.642 -2.243 -2.093 82 H LEU 11 H LEU 11 -7.353 1.182 -0.113 83 HA LEU 11 HA LEU 11 -6.271 -1.164 0.922 84 1HB LEU 11 1HB LEU 11 -6.230 1.707 1.799 85 2HB LEU 11 2HB LEU 11 -5.584 0.484 2.890 86 HG LEU 11 HG LEU 11 -4.707 0.369 0.032 87 1HD1 LEU 11 1HD1 LEU 11 -2.805 2.001 0.828 88 2HD1 LEU 11 2HD1 LEU 11 -4.024 2.569 1.969 89 3HD1 LEU 11 3HD1 LEU 11 -4.326 2.666 0.234 90 1HD2 LEU 11 1HD2 LEU 11 -2.606 -0.350 1.097 91 2HD2 LEU 11 2HD2 LEU 11 -3.959 -1.284 1.737 92 3HD2 LEU 11 3HD2 LEU 11 -3.266 0.030 2.688 93 H LYS 12 H LYS 12 -8.801 0.938 2.281 94 HA LYS 12 HA LYS 12 -9.247 -0.113 4.750 95 1HB LYS 12 1HB LYS 12 -10.686 1.607 3.672 96 2HB LYS 12 2HB LYS 12 -11.439 0.337 2.708 97 1HG LYS 12 1HG LYS 12 -12.162 -0.806 4.776 98 2HG LYS 12 2HG LYS 12 -11.419 0.472 5.739 99 1HD LYS 12 1HD LYS 12 -13.620 0.910 3.697 100 2HD LYS 12 2HD LYS 12 -13.877 0.795 5.438 101 1HE LYS 12 1HE LYS 12 -13.696 3.094 5.221 102 2HE LYS 12 2HE LYS 12 -12.000 2.690 5.487 103 1HZ LYS 12 1HZ LYS 12 -12.964 4.063 3.369 104 2HZ LYS 12 2HZ LYS 12 -12.824 2.492 2.737 105 3HZ LYS 12 3HZ LYS 12 -11.469 3.262 3.412 106 H LYS 13 H LYS 13 -10.810 -1.478 1.841 107 HA LYS 13 HA LYS 13 -11.904 -3.777 2.848 108 1HB LYS 13 1HB LYS 13 -10.815 -2.936 0.244 109 2HB LYS 13 2HB LYS 13 -10.828 -4.680 0.475 110 1HG LYS 13 1HG LYS 13 -13.311 -3.221 1.270 111 2HG LYS 13 2HG LYS 13 -12.968 -3.308 -0.455 112 1HD LYS 13 1HD LYS 13 -14.336 -5.220 0.197 113 2HD LYS 13 2HD LYS 13 -12.728 -5.778 -0.260 114 1HE LYS 13 1HE LYS 13 -12.070 -5.934 2.083 115 2HE LYS 13 2HE LYS 13 -13.617 -5.254 2.592 116 1HZ LYS 13 1HZ LYS 13 -13.091 -7.877 1.336 117 2HZ LYS 13 2HZ LYS 13 -14.645 -7.189 1.351 118 3HZ LYS 13 3HZ LYS 13 -13.858 -7.550 2.813 119 H HIS 14 H HIS 14 -8.530 -3.217 1.993 120 HA HIS 14 HA HIS 14 -7.599 -5.870 2.548 121 1HB HIS 14 1HB HIS 14 -6.567 -3.569 1.374 122 2HB HIS 14 2HB HIS 14 -5.601 -3.777 2.831 123 HD1 HIS 14 HD1 HIS 14 -7.058 -6.305 0.361 124 HD2 HIS 14 HD2 HIS 14 -3.407 -5.287 2.099 125 HE1 HIS 14 HE1 HIS 14 -5.368 -7.989 -0.486 126 HE2 HIS 14 HE2 HIS 14 -3.137 -7.382 0.563 127 H TYR 15 H TYR 15 -7.022 -2.797 4.289 128 HA TYR 15 HA TYR 15 -6.283 -4.271 6.691 129 1HB TYR 15 1HB TYR 15 -6.087 -1.426 5.747 130 2HB TYR 15 2HB TYR 15 -5.962 -1.779 7.467 131 HD1 TYR 15 HD1 TYR 15 -4.789 -4.198 4.914 132 HD2 TYR 15 HD2 TYR 15 -3.647 -1.053 7.611 133 HE1 TYR 15 HE1 TYR 15 -2.413 -4.822 4.636 134 HE2 TYR 15 HE2 TYR 15 -1.268 -1.684 7.332 135 HH TYR 15 HH TYR 15 0.158 -2.836 5.797 136 H GLU 16 H GLU 16 -9.091 -4.293 5.749 137 HA GLU 16 HA GLU 16 -10.796 -2.547 7.005 138 1HB GLU 16 1HB GLU 16 -12.314 -4.633 7.266 139 2HB GLU 16 2HB GLU 16 -11.821 -4.154 5.642 140 1HG GLU 16 1HG GLU 16 -10.003 -5.806 5.687 141 2HG GLU 16 2HG GLU 16 -10.451 -6.271 7.326 142 H LYS 17 H LYS 17 -9.321 -5.465 8.426 143 HA LYS 17 HA LYS 17 -10.349 -4.714 11.066 144 1HB LYS 17 1HB LYS 17 -8.866 -7.153 10.065 145 2HB LYS 17 2HB LYS 17 -9.316 -6.902 11.752 146 1HG LYS 17 1HG LYS 17 -11.690 -6.718 11.093 147 2HG LYS 17 2HG LYS 17 -11.238 -6.987 9.409 148 1HD LYS 17 1HD LYS 17 -10.159 -9.172 10.204 149 2HD LYS 17 2HD LYS 17 -11.019 -8.918 11.724 150 1HE LYS 17 1HE LYS 17 -12.290 -10.367 10.141 151 2HE LYS 17 2HE LYS 17 -13.160 -8.889 10.549 152 1HZ LYS 17 1HZ LYS 17 -13.134 -8.258 8.439 153 2HZ LYS 17 2HZ LYS 17 -12.515 -9.787 8.029 154 3HZ LYS 17 3HZ LYS 17 -11.458 -8.486 8.314 155 H THR 18 H THR 18 -7.822 -3.797 9.242 156 HA THR 18 HA THR 18 -6.036 -3.479 11.585 157 HB THR 18 HB THR 18 -5.042 -3.616 8.744 158 HG1 THR 18 HG1 THR 18 -5.605 -5.630 8.809 159 1HG2 THR 18 1HG2 THR 18 -3.658 -2.700 10.685 160 2HG2 THR 18 2HG2 THR 18 -2.929 -4.026 9.777 161 3HG2 THR 18 3HG2 THR 18 -3.678 -4.335 11.344 162 H ILE 19 H ILE 19 -7.992 -1.613 11.092 163 HA ILE 19 HA ILE 19 -6.831 0.541 9.498 164 HB ILE 19 HB ILE 19 -9.252 0.171 9.400 165 1HG1 ILE 19 1HG1 ILE 19 -8.606 2.734 10.888 166 2HG1 ILE 19 2HG1 ILE 19 -8.281 2.476 9.174 167 1HG2 ILE 19 1HG2 ILE 19 -9.509 1.122 12.242 168 2HG2 ILE 19 2HG2 ILE 19 -9.239 -0.591 11.918 169 3HG2 ILE 19 3HG2 ILE 19 -10.662 0.217 11.262 170 1HD1 ILE 19 1HD1 ILE 19 -10.749 1.913 8.913 171 2HD1 ILE 19 2HD1 ILE 19 -10.396 3.598 9.295 172 3HD1 ILE 19 3HD1 ILE 19 -10.971 2.510 10.557 173 H GLY 20 H GLY 20 -8.002 0.250 12.881 174 1HA GLY 20 1HA GLY 20 -7.255 2.494 14.078 175 2HA GLY 20 2HA GLY 20 -6.873 0.947 14.822 176 H PHE 21 H PHE 21 -4.838 -0.101 13.608 177 HA PHE 21 HA PHE 21 -2.545 1.100 14.420 178 1HB PHE 21 1HB PHE 21 -2.292 -1.073 13.565 179 2HB PHE 21 2HB PHE 21 -3.096 -0.671 12.048 180 HD1 PHE 21 HD1 PHE 21 -1.862 0.118 10.176 181 HD2 PHE 21 HD2 PHE 21 -0.005 -0.066 14.046 182 HE1 PHE 21 HE1 PHE 21 0.343 0.609 9.141 183 HE2 PHE 21 HE2 PHE 21 2.195 0.427 13.012 184 HZ PHE 21 HZ PHE 21 2.364 0.763 10.560 185 H HIS 22 H HIS 22 -4.111 1.572 11.271 186 HA HIS 22 HA HIS 22 -2.246 3.422 10.232 187 1HB HIS 22 1HB HIS 22 -3.987 2.207 8.891 188 2HB HIS 22 2HB HIS 22 -5.206 3.255 9.618 189 HD1 HIS 22 HD1 HIS 22 -4.088 5.977 9.517 190 HD2 HIS 22 HD2 HIS 22 -3.429 3.283 6.406 191 HE1 HIS 22 HE1 HIS 22 -3.517 7.366 7.479 192 HE2 HIS 22 HE2 HIS 22 -3.111 5.737 5.572 193 H ASP 23 H ASP 23 -5.481 4.020 11.654 194 HA ASP 23 HA ASP 23 -5.295 6.812 11.705 195 1HB ASP 23 1HB ASP 23 -7.305 5.191 12.155 196 2HB ASP 23 2HB ASP 23 -6.776 5.297 13.832 197 H LYS 24 H LYS 24 -3.638 4.498 13.598 198 HA LYS 24 HA LYS 24 -3.130 6.440 15.747 199 1HB LYS 24 1HB LYS 24 -3.692 3.808 15.953 200 2HB LYS 24 2HB LYS 24 -1.935 3.723 15.869 201 1HG LYS 24 1HG LYS 24 -2.385 3.955 18.180 202 2HG LYS 24 2HG LYS 24 -1.934 5.579 17.659 203 1HD LYS 24 1HD LYS 24 -4.682 5.511 17.200 204 2HD LYS 24 2HD LYS 24 -4.502 4.609 18.703 205 1HE LYS 24 1HE LYS 24 -3.458 7.401 18.145 206 2HE LYS 24 2HE LYS 24 -4.789 6.974 19.222 207 1HZ LYS 24 1HZ LYS 24 -3.368 6.503 20.839 208 2HZ LYS 24 2HZ LYS 24 -2.127 7.157 19.882 209 3HZ LYS 24 3HZ LYS 24 -2.447 5.488 19.841 210 H TYR 25 H TYR 25 -1.207 4.156 13.760 211 HA TYR 25 HA TYR 25 1.225 5.562 14.374 212 1HB TYR 25 1HB TYR 25 0.469 3.215 12.672 213 2HB TYR 25 2HB TYR 25 2.045 3.974 12.447 214 HD1 TYR 25 HD1 TYR 25 -0.130 2.166 14.830 215 HD2 TYR 25 HD2 TYR 25 3.757 3.861 14.153 216 HE1 TYR 25 HE1 TYR 25 0.736 0.980 16.830 217 HE2 TYR 25 HE2 TYR 25 4.623 2.675 16.151 218 HH TYR 25 HH TYR 25 3.880 1.648 18.144 219 H ILE 26 H ILE 26 -0.054 4.771 11.149 220 HA ILE 26 HA ILE 26 1.358 6.827 9.844 221 HB ILE 26 HB ILE 26 -1.184 5.472 8.924 222 1HG1 ILE 26 1HG1 ILE 26 1.676 4.661 8.342 223 2HG1 ILE 26 2HG1 ILE 26 0.740 3.949 9.657 224 1HG2 ILE 26 1HG2 ILE 26 -0.615 7.402 7.566 225 2HG2 ILE 26 2HG2 ILE 26 -0.189 5.944 6.671 226 3HG2 ILE 26 3HG2 ILE 26 1.069 6.886 7.470 227 1HD1 ILE 26 1HD1 ILE 26 -1.040 3.371 7.953 228 2HD1 ILE 26 2HD1 ILE 26 0.482 2.508 7.744 229 3HD1 ILE 26 3HD1 ILE 26 0.093 3.874 6.699 230 H LYS 27 H LYS 27 -2.167 6.627 10.347 231 HA LYS 27 HA LYS 27 -3.754 8.247 10.671 232 1HB LYS 27 1HB LYS 27 -1.543 10.186 11.351 233 2HB LYS 27 2HB LYS 27 -3.209 10.179 11.924 234 1HG LYS 27 1HG LYS 27 -2.502 7.777 12.850 235 2HG LYS 27 2HG LYS 27 -0.894 8.495 12.798 236 1HD LYS 27 1HD LYS 27 -3.290 9.746 14.179 237 2HD LYS 27 2HD LYS 27 -2.025 8.835 15.001 238 1HE LYS 27 1HE LYS 27 -0.365 10.477 13.935 239 2HE LYS 27 2HE LYS 27 -1.770 11.467 13.541 240 1HZ LYS 27 1HZ LYS 27 -2.122 11.993 15.692 241 2HZ LYS 27 2HZ LYS 27 -0.457 11.682 15.822 242 3HZ LYS 27 3HZ LYS 27 -1.584 10.496 16.279 243 H ASP 28 H ASP 28 -4.088 10.775 10.060 244 HA ASP 28 HA ASP 28 -4.198 10.880 7.276 245 1HB ASP 28 1HB ASP 28 -4.576 13.354 7.626 246 2HB ASP 28 2HB ASP 28 -5.640 12.298 8.554 247 H ILE 29 H ILE 29 -2.025 10.205 6.656 248 HA ILE 29 HA ILE 29 0.333 11.571 7.202 249 HB ILE 29 HB ILE 29 -0.151 9.398 5.790 250 1HG1 ILE 29 1HG1 ILE 29 2.090 9.967 4.495 251 2HG1 ILE 29 2HG1 ILE 29 2.076 11.402 5.517 252 1HG2 ILE 29 1HG2 ILE 29 -1.371 10.870 4.054 253 2HG2 ILE 29 2HG2 ILE 29 -0.226 9.677 3.444 254 3HG2 ILE 29 3HG2 ILE 29 0.240 11.375 3.543 255 1HD1 ILE 29 1HD1 ILE 29 1.623 9.670 7.452 256 2HD1 ILE 29 2HD1 ILE 29 3.264 9.900 6.848 257 3HD1 ILE 29 3HD1 ILE 29 2.314 8.516 6.310 258 H ASN 30 H ASN 30 1.561 13.018 5.723 259 HA ASN 30 HA ASN 30 -0.088 14.769 4.048 260 1HB ASN 30 1HB ASN 30 1.392 15.643 6.526 261 2HB ASN 30 2HB ASN 30 1.010 16.767 5.223 262 1HD2 ASN 30 1HD2 ASN 30 -1.488 16.453 4.486 263 2HD2 ASN 30 2HD2 ASN 30 -2.585 16.413 5.780 264 H ARG 31 H ARG 31 2.502 12.900 4.213 265 HA ARG 31 HA ARG 31 3.990 14.547 2.282 266 1HB ARG 31 1HB ARG 31 6.061 13.291 3.486 267 2HB ARG 31 2HB ARG 31 5.527 14.905 3.941 268 1HG ARG 31 1HG ARG 31 4.394 12.410 5.227 269 2HG ARG 31 2HG ARG 31 5.827 13.221 5.853 270 1HD ARG 31 1HD ARG 31 3.996 15.300 5.502 271 2HD ARG 31 2HD ARG 31 3.018 13.972 6.121 272 HE ARG 31 HE ARG 31 5.156 13.946 7.783 273 1HH1 ARG 31 1HH1 ARG 31 3.056 16.443 6.626 274 2HH1 ARG 31 2HH1 ARG 31 3.177 17.401 8.064 275 1HH2 ARG 31 1HH2 ARG 31 5.321 15.201 9.670 276 2HH2 ARG 31 2HH2 ARG 31 4.458 16.699 9.786 277 H PHE 32 H PHE 32 3.119 13.314 0.666 278 HA PHE 32 HA PHE 32 4.525 10.851 0.061 279 1HB PHE 32 1HB PHE 32 2.594 9.441 -0.156 280 2HB PHE 32 2HB PHE 32 2.549 10.123 1.470 281 HD1 PHE 32 HD1 PHE 32 1.257 12.423 1.694 282 HD2 PHE 32 HD2 PHE 32 0.680 9.599 -1.492 283 HE1 PHE 32 HE1 PHE 32 -0.970 13.407 1.224 284 HE2 PHE 32 HE2 PHE 32 -1.546 10.584 -1.961 285 HZ PHE 32 HZ PHE 32 -2.371 12.487 -0.603 286 H VAL 33 H VAL 33 4.535 10.451 -2.169 287 HA VAL 33 HA VAL 33 2.806 12.082 -3.881 288 HB VAL 33 HB VAL 33 4.735 12.966 -5.153 289 1HG1 VAL 33 1HG1 VAL 33 3.624 14.191 -3.208 290 2HG1 VAL 33 2HG1 VAL 33 5.255 14.723 -3.617 291 3HG1 VAL 33 3HG1 VAL 33 4.993 13.675 -2.223 292 1HG2 VAL 33 1HG2 VAL 33 6.269 11.603 -2.926 293 2HG2 VAL 33 2HG2 VAL 33 6.973 12.869 -3.930 294 3HG2 VAL 33 3HG2 VAL 33 6.444 11.355 -4.662 295 H PHE 34 H PHE 34 2.705 11.391 -6.036 296 HA PHE 34 HA PHE 34 4.084 8.872 -6.706 297 1HB PHE 34 1HB PHE 34 2.005 7.919 -7.563 298 2HB PHE 34 2HB PHE 34 1.824 8.310 -5.851 299 HD1 PHE 34 HD1 PHE 34 0.424 8.717 -9.091 300 HD2 PHE 34 HD2 PHE 34 0.904 10.697 -5.312 301 HE1 PHE 34 HE1 PHE 34 -1.494 10.200 -9.625 302 HE2 PHE 34 HE2 PHE 34 -1.013 12.181 -5.843 303 HZ PHE 34 HZ PHE 34 -2.212 11.932 -7.999 304 H LYS 35 H LYS 35 5.200 10.881 -7.779 305 HA LYS 35 HA LYS 35 3.954 11.294 -10.438 306 1HB LYS 35 1HB LYS 35 5.412 13.407 -10.463 307 2HB LYS 35 2HB LYS 35 3.987 13.423 -9.423 308 1HG LYS 35 1HG LYS 35 5.301 12.995 -7.464 309 2HG LYS 35 2HG LYS 35 6.733 12.633 -8.428 310 1HD LYS 35 1HD LYS 35 6.788 14.926 -7.425 311 2HD LYS 35 2HD LYS 35 6.866 14.942 -9.187 312 1HE LYS 35 1HE LYS 35 4.628 15.652 -9.401 313 2HE LYS 35 2HE LYS 35 4.219 15.159 -7.758 314 1HZ LYS 35 1HZ LYS 35 4.518 17.602 -8.100 315 2HZ LYS 35 2HZ LYS 35 6.170 17.306 -8.368 316 3HZ LYS 35 3HZ LYS 35 5.469 16.933 -6.865 317 H ASN 36 H ASN 36 5.880 9.227 -9.335 318 HA ASN 36 HA ASN 36 7.969 9.586 -11.403 319 1HB ASN 36 1HB ASN 36 8.256 8.554 -8.576 320 2HB ASN 36 2HB ASN 36 9.456 8.245 -9.831 321 1HD2 ASN 36 1HD2 ASN 36 10.451 9.679 -7.757 322 2HD2 ASN 36 2HD2 ASN 36 10.584 11.328 -8.140 323 H ASN 37 H ASN 37 5.355 8.226 -11.427 324 HA ASN 37 HA ASN 37 4.539 6.316 -12.418 325 1HB ASN 37 1HB ASN 37 6.976 6.339 -13.447 326 2HB ASN 37 2HB ASN 37 7.221 4.983 -12.349 327 1HD2 ASN 37 1HD2 ASN 37 6.932 5.096 -15.407 328 2HD2 ASN 37 2HD2 ASN 37 5.710 3.968 -15.746 329 H VAL 38 H VAL 38 6.431 6.390 -9.608 330 HA VAL 38 HA VAL 38 5.169 3.908 -8.600 331 HB VAL 38 HB VAL 38 7.732 5.168 -7.602 332 1HG1 VAL 38 1HG1 VAL 38 6.188 2.656 -7.010 333 2HG1 VAL 38 2HG1 VAL 38 6.982 3.767 -5.894 334 3HG1 VAL 38 3HG1 VAL 38 7.943 2.645 -6.851 335 1HG2 VAL 38 1HG2 VAL 38 8.853 3.316 -8.851 336 2HG2 VAL 38 2HG2 VAL 38 8.051 4.467 -9.919 337 3HG2 VAL 38 3HG2 VAL 38 7.300 2.908 -9.580 338 H LEU 39 H LEU 39 5.229 4.011 -6.042 339 HA LEU 39 HA LEU 39 4.127 6.639 -5.243 340 1HB LEU 39 1HB LEU 39 3.144 3.873 -4.525 341 2HB LEU 39 2HB LEU 39 2.606 5.347 -3.723 342 HG LEU 39 HG LEU 39 2.169 6.161 -6.207 343 1HD1 LEU 39 1HD1 LEU 39 3.092 4.242 -7.342 344 2HD1 LEU 39 2HD1 LEU 39 1.351 4.246 -7.584 345 3HD1 LEU 39 3HD1 LEU 39 2.076 3.149 -6.408 346 1HD2 LEU 39 1HD2 LEU 39 -0.144 5.103 -6.047 347 2HD2 LEU 39 2HD2 LEU 39 0.369 6.035 -4.639 348 3HD2 LEU 39 3HD2 LEU 39 0.438 4.273 -4.603 349 H LEU 40 H LEU 40 5.252 7.572 -3.664 350 HA LEU 40 HA LEU 40 6.750 5.850 -1.782 351 1HB LEU 40 1HB LEU 40 8.170 7.180 -3.342 352 2HB LEU 40 2HB LEU 40 7.424 8.654 -2.737 353 HG LEU 40 HG LEU 40 8.636 6.783 -0.731 354 1HD1 LEU 40 1HD1 LEU 40 10.786 8.329 -1.223 355 2HD1 LEU 40 2HD1 LEU 40 10.138 8.252 -2.857 356 3HD1 LEU 40 3HD1 LEU 40 10.557 6.766 -2.004 357 1HD2 LEU 40 1HD2 LEU 40 8.236 9.763 -1.049 358 2HD2 LEU 40 2HD2 LEU 40 9.369 9.128 0.138 359 3HD2 LEU 40 3HD2 LEU 40 7.664 8.708 0.242 360 H ILE 41 H ILE 41 6.648 6.357 0.394 361 HA ILE 41 HA ILE 41 4.899 8.604 1.186 362 HB ILE 41 HB ILE 41 4.553 5.688 1.818 363 1HG1 ILE 41 1HG1 ILE 41 2.452 7.828 1.482 364 2HG1 ILE 41 2HG1 ILE 41 3.227 7.096 0.077 365 1HG2 ILE 41 1HG2 ILE 41 2.964 6.550 3.672 366 2HG2 ILE 41 2HG2 ILE 41 3.912 8.036 3.605 367 3HG2 ILE 41 3HG2 ILE 41 4.689 6.512 4.032 368 1HD1 ILE 41 1HD1 ILE 41 2.410 4.937 0.616 369 2HD1 ILE 41 2HD1 ILE 41 1.042 6.014 0.900 370 3HD1 ILE 41 3HD1 ILE 41 1.992 5.417 2.261 371 H LEU 42 H LEU 42 5.673 9.751 2.825 372 HA LEU 42 HA LEU 42 8.212 9.048 3.989 373 1HB LEU 42 1HB LEU 42 7.357 11.379 3.329 374 2HB LEU 42 2HB LEU 42 6.442 11.330 4.831 375 HG LEU 42 HG LEU 42 9.421 10.806 4.742 376 1HD1 LEU 42 1HD1 LEU 42 8.296 13.233 4.043 377 2HD1 LEU 42 2HD1 LEU 42 9.902 13.020 4.721 378 3HD1 LEU 42 3HD1 LEU 42 8.552 13.420 5.777 379 1HD2 LEU 42 1HD2 LEU 42 8.609 10.061 6.803 380 2HD2 LEU 42 2HD2 LEU 42 7.353 11.295 6.875 381 3HD2 LEU 42 3HD2 LEU 42 9.034 11.730 7.173 382 H LEU 43 H LEU 43 7.830 7.190 5.209 383 HA LEU 43 HA LEU 43 5.951 7.376 7.470 384 1HB LEU 43 1HB LEU 43 5.868 5.375 5.999 385 2HB LEU 43 2HB LEU 43 7.539 5.018 6.425 386 HG LEU 43 HG LEU 43 6.776 4.975 8.860 387 1HD1 LEU 43 1HD1 LEU 43 4.260 4.367 9.003 388 2HD1 LEU 43 2HD1 LEU 43 4.119 5.163 7.437 389 3HD1 LEU 43 3HD1 LEU 43 4.680 6.071 8.840 390 1HD2 LEU 43 1HD2 LEU 43 5.974 2.680 8.672 391 2HD2 LEU 43 2HD2 LEU 43 7.214 2.952 7.448 392 3HD2 LEU 43 3HD2 LEU 43 5.513 2.946 6.993 393 H GLU 44 H GLU 44 6.732 7.993 9.392 394 HA GLU 44 HA GLU 44 9.617 7.993 9.856 395 1HB GLU 44 1HB GLU 44 7.345 9.101 11.520 396 2HB GLU 44 2HB GLU 44 9.064 9.341 11.836 397 1HG GLU 44 1HG GLU 44 9.226 10.303 9.477 398 2HG GLU 44 2HG GLU 44 7.463 10.322 9.468 399 H ASN 45 H ASN 45 6.907 7.268 12.048 400 HA ASN 45 HA ASN 45 7.976 5.924 14.050 401 1HB ASN 45 1HB ASN 45 5.573 5.046 12.453 402 2HB ASN 45 2HB ASN 45 6.020 4.318 13.994 403 1HD2 ASN 45 1HD2 ASN 45 3.674 6.158 13.161 404 2HD2 ASN 45 2HD2 ASN 45 3.712 7.400 14.318 405 H GLU 46 H GLU 46 9.768 4.723 13.989 406 HA GLU 46 HA GLU 46 10.727 3.028 12.044 407 1HB GLU 46 1HB GLU 46 12.087 3.645 13.936 408 2HB GLU 46 2HB GLU 46 10.998 2.815 15.048 409 1HG GLU 46 1HG GLU 46 11.601 0.674 14.209 410 2HG GLU 46 2HG GLU 46 12.379 1.366 12.786 411 H PHE 47 H PHE 47 8.440 2.218 14.649 412 HA PHE 47 HA PHE 47 8.379 -0.561 14.209 413 1HB PHE 47 1HB PHE 47 6.472 1.419 15.415 414 2HB PHE 47 2HB PHE 47 5.934 -0.237 15.131 415 HD1 PHE 47 HD1 PHE 47 6.163 -1.678 16.943 416 HD2 PHE 47 HD2 PHE 47 9.035 1.472 16.403 417 HE1 PHE 47 HE1 PHE 47 7.357 -2.416 18.986 418 HE2 PHE 47 HE2 PHE 47 10.229 0.733 18.447 419 HZ PHE 47 HZ PHE 47 9.389 -1.211 19.739 420 H ALA 48 H ALA 48 5.870 1.770 13.254 421 HA ALA 48 HA ALA 48 4.355 0.291 11.569 422 1HB ALA 48 1HB ALA 48 5.289 3.138 11.163 423 2HB ALA 48 2HB ALA 48 3.822 2.604 11.982 424 3HB ALA 48 3HB ALA 48 3.988 2.387 10.239 425 H ARG 49 H ARG 49 7.600 1.466 10.839 426 HA ARG 49 HA ARG 49 7.391 0.604 8.064 427 1HB ARG 49 1HB ARG 49 10.118 1.045 9.004 428 2HB ARG 49 2HB ARG 49 9.225 1.870 7.730 429 1HG ARG 49 1HG ARG 49 8.021 3.136 9.589 430 2HG ARG 49 2HG ARG 49 9.226 2.467 10.676 431 1HD ARG 49 1HD ARG 49 9.470 4.759 8.996 432 2HD ARG 49 2HD ARG 49 10.674 4.087 10.081 433 HE ARG 49 HE ARG 49 10.357 3.121 7.295 434 1HH1 ARG 49 1HH1 ARG 49 12.288 4.244 9.956 435 2HH1 ARG 49 2HH1 ARG 49 13.791 3.990 9.137 436 1HH2 ARG 49 1HH2 ARG 49 12.328 2.790 6.237 437 2HH2 ARG 49 2HH2 ARG 49 13.815 3.169 7.040 438 H ASN 50 H ASN 50 8.644 -0.554 11.101 439 HA ASN 50 HA ASN 50 10.318 -2.605 10.351 440 1HB ASN 50 1HB ASN 50 9.795 -1.820 12.679 441 2HB ASN 50 2HB ASN 50 8.315 -2.775 12.601 442 1HD2 ASN 50 1HD2 ASN 50 10.483 -4.452 10.732 443 2HD2 ASN 50 2HD2 ASN 50 11.121 -5.495 11.910 444 H SER 51 H SER 51 6.788 -2.708 10.782 445 HA SER 51 HA SER 51 6.626 -5.458 9.823 446 1HB SER 51 1HB SER 51 5.174 -3.938 11.633 447 2HB SER 51 2HB SER 51 4.092 -4.100 10.256 448 HG SER 51 HG SER 51 4.388 -5.861 12.039 449 H LEU 52 H LEU 52 5.430 -2.248 8.794 450 HA LEU 52 HA LEU 52 3.863 -2.996 6.665 451 1HB LEU 52 1HB LEU 52 5.628 -0.603 7.097 452 2HB LEU 52 2HB LEU 52 4.771 -0.803 5.570 453 HG LEU 52 HG LEU 52 3.434 -0.878 8.295 454 1HD1 LEU 52 1HD1 LEU 52 4.145 1.367 8.026 455 2HD1 LEU 52 2HD1 LEU 52 2.485 1.363 7.437 456 3HD1 LEU 52 3HD1 LEU 52 3.827 1.348 6.293 457 1HD2 LEU 52 1HD2 LEU 52 1.857 -1.918 7.000 458 2HD2 LEU 52 2HD2 LEU 52 2.540 -1.312 5.493 459 3HD2 LEU 52 3HD2 LEU 52 1.497 -0.278 6.468 460 H ASN 53 H ASN 53 7.381 -2.310 6.421 461 HA ASN 53 HA ASN 53 7.455 -3.260 3.722 462 1HB ASN 53 1HB ASN 53 9.702 -2.679 3.718 463 2HB ASN 53 2HB ASN 53 9.096 -1.636 5.002 464 1HD2 ASN 53 1HD2 ASN 53 9.270 -2.649 7.299 465 2HD2 ASN 53 2HD2 ASN 53 10.646 -3.592 7.615 466 H ASP 54 H ASP 54 7.240 -4.873 6.651 467 HA ASP 54 HA ASP 54 8.846 -7.169 5.991 468 1HB ASP 54 1HB ASP 54 8.143 -6.407 8.335 469 2HB ASP 54 2HB ASP 54 6.575 -7.125 7.973 470 H ASN 55 H ASN 55 5.514 -6.182 5.533 471 HA ASN 55 HA ASN 55 5.092 -8.195 3.534 472 1HB ASN 55 1HB ASN 55 4.772 -9.536 5.602 473 2HB ASN 55 2HB ASN 55 3.490 -8.428 6.091 474 1HD2 ASN 55 1HD2 ASN 55 4.290 -9.975 2.924 475 2HD2 ASN 55 2HD2 ASN 55 2.739 -10.624 2.693 476 H SER 56 H SER 56 4.860 -5.853 2.743 477 HA SER 56 HA SER 56 2.261 -4.652 3.349 478 1HB SER 56 1HB SER 56 4.760 -3.768 1.997 479 2HB SER 56 2HB SER 56 3.252 -3.038 1.450 480 HG SER 56 HG SER 56 2.960 -2.158 3.387 481 H GLU 57 H GLU 57 3.687 -4.509 0.176 482 HA GLU 57 HA GLU 57 3.001 -5.259 -1.891 483 1HB GLU 57 1HB GLU 57 1.126 -7.135 -0.442 484 2HB GLU 57 2HB GLU 57 1.700 -7.260 -2.101 485 1HG GLU 57 1HG GLU 57 4.009 -7.548 -1.296 486 2HG GLU 57 2HG GLU 57 3.449 -7.423 0.370 487 H ILE 58 H ILE 58 1.990 -2.927 -1.071 488 HA ILE 58 HA ILE 58 -0.873 -2.852 -1.071 489 HB ILE 58 HB ILE 58 1.219 -0.702 -1.479 490 1HG1 ILE 58 1HG1 ILE 58 -0.591 -1.465 0.838 491 2HG1 ILE 58 2HG1 ILE 58 1.152 -1.715 0.759 492 1HG2 ILE 58 1HG2 ILE 58 -0.678 0.183 -2.569 493 2HG2 ILE 58 2HG2 ILE 58 -0.844 0.790 -0.926 494 3HG2 ILE 58 3HG2 ILE 58 -1.797 -0.595 -1.451 495 1HD1 ILE 58 1HD1 ILE 58 -0.305 0.941 0.804 496 2HD1 ILE 58 2HD1 ILE 58 1.425 0.774 0.508 497 3HD1 ILE 58 3HD1 ILE 58 0.744 0.284 2.059 498 H ILE 59 H ILE 59 1.218 -3.680 -3.451 499 HA ILE 59 HA ILE 59 -0.097 -2.317 -5.668 500 HB ILE 59 HB ILE 59 2.238 -2.754 -5.979 501 1HG1 ILE 59 1HG1 ILE 59 0.943 -5.009 -7.515 502 2HG1 ILE 59 2HG1 ILE 59 0.551 -3.328 -7.877 503 1HG2 ILE 59 1HG2 ILE 59 2.697 -4.445 -4.377 504 2HG2 ILE 59 2HG2 ILE 59 3.020 -5.204 -5.935 505 3HG2 ILE 59 3HG2 ILE 59 1.515 -5.548 -5.084 506 1HD1 ILE 59 1HD1 ILE 59 2.892 -2.829 -8.320 507 2HD1 ILE 59 2HD1 ILE 59 2.413 -4.222 -9.290 508 3HD1 ILE 59 3HD1 ILE 59 3.366 -4.453 -7.824 509 H HIS 60 H HIS 60 -0.813 -4.766 -3.630 510 HA HIS 60 HA HIS 60 -2.009 -6.733 -5.390 511 1HB HIS 60 1HB HIS 60 -1.940 -6.212 -2.435 512 2HB HIS 60 2HB HIS 60 -3.086 -7.369 -3.104 513 HD1 HIS 60 HD1 HIS 60 -1.492 -9.073 -1.640 514 HD2 HIS 60 HD2 HIS 60 0.163 -7.467 -5.114 515 HE1 HIS 60 HE1 HIS 60 0.486 -10.539 -2.237 516 HE2 HIS 60 HE2 HIS 60 1.506 -9.572 -4.352 517 H LEU 61 H LEU 61 -2.941 -3.622 -4.377 518 HA LEU 61 HA LEU 61 -5.690 -4.173 -5.289 519 1HB LEU 61 1HB LEU 61 -5.804 -2.185 -3.237 520 2HB LEU 61 2HB LEU 61 -6.575 -3.766 -3.266 521 HG LEU 61 HG LEU 61 -4.459 -4.770 -2.408 522 1HD1 LEU 61 1HD1 LEU 61 -3.498 -2.073 -2.956 523 2HD1 LEU 61 2HD1 LEU 61 -2.579 -3.538 -2.612 524 3HD1 LEU 61 3HD1 LEU 61 -3.172 -2.540 -1.287 525 1HD2 LEU 61 1HD2 LEU 61 -5.871 -2.589 -0.869 526 2HD2 LEU 61 2HD2 LEU 61 -4.643 -3.603 -0.113 527 3HD2 LEU 61 3HD2 LEU 61 -6.111 -4.333 -0.768 528 H ALA 62 H ALA 62 -3.115 -1.867 -4.666 529 HA ALA 62 HA ALA 62 -4.334 0.439 -5.701 530 1HB ALA 62 1HB ALA 62 -2.245 0.483 -4.407 531 2HB ALA 62 2HB ALA 62 -2.035 1.286 -5.963 532 3HB ALA 62 3HB ALA 62 -1.407 -0.344 -5.720 533 H GLU 63 H GLU 63 -2.954 -2.332 -7.304 534 HA GLU 63 HA GLU 63 -2.430 -1.096 -9.795 535 1HB GLU 63 1HB GLU 63 -2.448 -3.452 -10.673 536 2HB GLU 63 2HB GLU 63 -1.409 -3.225 -9.265 537 1HG GLU 63 1HG GLU 63 -3.146 -4.098 -7.791 538 2HG GLU 63 2HG GLU 63 -4.262 -4.236 -9.144 539 H SER 64 H SER 64 -5.032 -0.367 -8.783 540 HA SER 64 HA SER 64 -6.712 -1.367 -11.002 541 1HB SER 64 1HB SER 64 -7.461 -0.972 -8.109 542 2HB SER 64 2HB SER 64 -8.665 -1.042 -9.393 543 HG SER 64 HG SER 64 -8.052 -3.086 -8.298 544 H LEU 65 H LEU 65 -5.825 1.290 -8.874 545 HA LEU 65 HA LEU 65 -7.661 3.124 -10.197 546 1HB LEU 65 1HB LEU 65 -6.946 3.142 -7.686 547 2HB LEU 65 2HB LEU 65 -5.513 3.975 -8.278 548 HG LEU 65 HG LEU 65 -7.230 5.503 -9.541 549 1HD1 LEU 65 1HD1 LEU 65 -9.345 5.748 -8.190 550 2HD1 LEU 65 2HD1 LEU 65 -8.930 4.245 -7.368 551 3HD1 LEU 65 3HD1 LEU 65 -9.249 4.244 -9.101 552 1HD2 LEU 65 1HD2 LEU 65 -7.335 6.991 -7.595 553 2HD2 LEU 65 2HD2 LEU 65 -5.753 6.216 -7.671 554 3HD2 LEU 65 3HD2 LEU 65 -6.962 5.643 -6.522 555 H TYR 66 H TYR 66 -4.329 2.157 -10.389 556 HA TYR 66 HA TYR 66 -3.833 4.287 -12.394 557 1HB TYR 66 1HB TYR 66 -1.772 2.784 -10.762 558 2HB TYR 66 2HB TYR 66 -1.472 4.123 -11.867 559 HD1 TYR 66 HD1 TYR 66 -1.516 6.338 -11.081 560 HD2 TYR 66 HD2 TYR 66 -3.364 3.229 -8.767 561 HE1 TYR 66 HE1 TYR 66 -1.888 7.941 -9.225 562 HE2 TYR 66 HE2 TYR 66 -3.741 4.834 -6.914 563 HH TYR 66 HH TYR 66 -2.515 7.100 -6.170 564 H GLU 67 H GLU 67 -1.691 3.351 -13.690 565 HA GLU 67 HA GLU 67 -2.771 1.039 -15.111 566 1HB GLU 67 1HB GLU 67 -0.325 2.687 -15.762 567 2HB GLU 67 2HB GLU 67 -1.167 1.562 -16.828 568 1HG GLU 67 1HG GLU 67 -3.202 2.975 -16.684 569 2HG GLU 67 2HG GLU 67 -2.320 4.118 -15.674 570 H GLY 68 H GLY 68 -2.348 -0.726 -13.860 571 1HA GLY 68 1HA GLY 68 -1.124 -2.327 -12.712 572 2HA GLY 68 2HA GLY 68 -0.103 -2.210 -14.141 573 H ILE 69 H ILE 69 -0.674 -0.675 -10.982 574 HA ILE 69 HA ILE 69 1.459 0.952 -10.628 575 HB ILE 69 HB ILE 69 0.449 -1.129 -8.676 576 1HG1 ILE 69 1HG1 ILE 69 -1.028 0.826 -9.717 577 2HG1 ILE 69 2HG1 ILE 69 -1.135 0.425 -8.006 578 1HG2 ILE 69 1HG2 ILE 69 2.344 1.197 -8.356 579 2HG2 ILE 69 2HG2 ILE 69 2.550 -0.471 -7.819 580 3HG2 ILE 69 3HG2 ILE 69 1.401 0.585 -6.996 581 1HD1 ILE 69 1HD1 ILE 69 -0.845 2.918 -8.635 582 2HD1 ILE 69 2HD1 ILE 69 0.828 2.491 -8.990 583 3HD1 ILE 69 3HD1 ILE 69 0.185 2.267 -7.362 584 H LYS 70 H LYS 70 3.679 0.787 -10.276 585 HA LYS 70 HA LYS 70 4.908 -1.703 -11.119 586 1HB LYS 70 1HB LYS 70 6.056 0.990 -10.360 587 2HB LYS 70 2HB LYS 70 7.020 -0.383 -10.906 588 1HG LYS 70 1HG LYS 70 5.254 -0.365 -12.912 589 2HG LYS 70 2HG LYS 70 5.113 1.332 -12.451 590 1HD LYS 70 1HD LYS 70 7.590 1.547 -12.623 591 2HD LYS 70 2HD LYS 70 7.668 -0.122 -13.188 592 1HE LYS 70 1HE LYS 70 6.174 2.145 -14.541 593 2HE LYS 70 2HE LYS 70 7.679 1.416 -15.102 594 1HZ LYS 70 1HZ LYS 70 6.387 0.024 -16.229 595 2HZ LYS 70 2HZ LYS 70 4.988 0.483 -15.381 596 3HZ LYS 70 3HZ LYS 70 6.020 -0.706 -14.743 597 H SER 71 H SER 71 4.692 0.286 -8.196 598 HA SER 71 HA SER 71 4.964 -1.887 -6.434 599 1HB SER 71 1HB SER 71 7.504 -0.464 -7.162 600 2HB SER 71 2HB SER 71 7.291 -1.110 -5.537 601 HG SER 71 HG SER 71 8.247 -2.612 -7.013 602 H VAL 72 H VAL 72 5.808 -0.975 -4.179 603 HA VAL 72 HA VAL 72 5.038 1.805 -3.714 604 HB VAL 72 HB VAL 72 3.642 -0.463 -2.265 605 1HG1 VAL 72 1HG1 VAL 72 3.749 1.457 -0.864 606 2HG1 VAL 72 2HG1 VAL 72 2.147 1.514 -1.598 607 3HG1 VAL 72 3HG1 VAL 72 3.435 2.553 -2.209 608 1HG2 VAL 72 1HG2 VAL 72 1.608 0.388 -3.515 609 2HG2 VAL 72 2HG2 VAL 72 2.790 -0.450 -4.520 610 3HG2 VAL 72 3HG2 VAL 72 2.708 1.312 -4.538 611 H ASN 73 H ASN 73 5.870 2.642 -1.802 612 HA ASN 73 HA ASN 73 7.126 0.959 0.163 613 1HB ASN 73 1HB ASN 73 8.714 0.960 -1.864 614 2HB ASN 73 2HB ASN 73 9.046 2.637 -1.435 615 1HD2 ASN 73 1HD2 ASN 73 11.165 2.400 -0.575 616 2HD2 ASN 73 2HD2 ASN 73 11.522 1.424 0.768 617 H PHE 74 H PHE 74 8.333 2.235 1.799 618 HA PHE 74 HA PHE 74 7.429 5.046 1.913 619 1HB PHE 74 1HB PHE 74 7.605 3.707 4.520 620 2HB PHE 74 2HB PHE 74 6.336 4.745 3.870 621 HD1 PHE 74 HD1 PHE 74 7.749 1.290 3.587 622 HD2 PHE 74 HD2 PHE 74 4.300 3.813 3.157 623 HE1 PHE 74 HE1 PHE 74 6.343 -0.706 3.153 624 HE2 PHE 74 HE2 PHE 74 2.894 1.818 2.723 625 HZ PHE 74 HZ PHE 74 3.915 -0.442 2.722 626 H VAL 75 H VAL 75 8.669 6.329 3.556 627 HA VAL 75 HA VAL 75 11.306 5.315 4.265 628 HB VAL 75 HB VAL 75 12.086 7.657 3.085 629 1HG1 VAL 75 1HG1 VAL 75 12.980 6.208 1.268 630 2HG1 VAL 75 2HG1 VAL 75 11.947 4.899 1.837 631 3HG1 VAL 75 3HG1 VAL 75 13.239 5.512 2.868 632 1HG2 VAL 75 1HG2 VAL 75 11.077 7.790 0.892 633 2HG2 VAL 75 2HG2 VAL 75 9.796 7.898 2.097 634 3HG2 VAL 75 3HG2 VAL 75 10.062 6.389 1.224 635 H ASN 76 H ASN 76 12.529 7.759 4.838 636 HA ASN 76 HA ASN 76 10.699 8.938 6.851 637 1HB ASN 76 1HB ASN 76 13.467 9.178 7.631 638 2HB ASN 76 2HB ASN 76 12.139 8.396 8.486 639 1HD2 ASN 76 1HD2 ASN 76 12.874 6.329 9.015 640 2HD2 ASN 76 2HD2 ASN 76 13.640 5.271 7.932 641 H GLU 77 H GLU 77 11.815 11.021 7.764 642 HA GLU 77 HA GLU 77 11.485 13.124 6.197 643 1HB GLU 77 1HB GLU 77 13.699 12.797 8.221 644 2HB GLU 77 2HB GLU 77 13.186 14.345 7.549 645 1HG GLU 77 1HG GLU 77 10.965 14.084 8.457 646 2HG GLU 77 2HG GLU 77 11.308 12.427 8.952 647 H GLN 78 H GLN 78 14.876 12.322 6.781 648 HA GLN 78 HA GLN 78 15.854 13.686 4.562 649 1HB GLN 78 1HB GLN 78 17.046 11.338 6.052 650 2HB GLN 78 2HB GLN 78 17.926 12.332 4.890 651 1HG GLN 78 1HG GLN 78 17.572 14.320 6.244 652 2HG GLN 78 2HG GLN 78 16.550 13.417 7.362 653 1HE2 GLN 78 1HE2 GLN 78 19.690 14.537 6.956 654 2HE2 GLN 78 2HE2 GLN 78 20.487 13.454 7.992 655 H ASP 79 H ASP 79 15.264 10.176 4.859 656 HA ASP 79 HA ASP 79 16.091 9.430 2.317 657 1HB ASP 79 1HB ASP 79 13.961 8.343 4.142 658 2HB ASP 79 2HB ASP 79 14.299 7.602 2.578 659 H PHE 80 H PHE 80 12.679 10.104 3.260 660 HA PHE 80 HA PHE 80 11.486 10.044 0.795 661 1HB PHE 80 1HB PHE 80 10.002 10.438 2.537 662 2HB PHE 80 2HB PHE 80 11.030 11.661 3.276 663 HD1 PHE 80 HD1 PHE 80 11.222 13.938 2.195 664 HD2 PHE 80 HD2 PHE 80 8.316 11.030 0.959 665 HE1 PHE 80 HE1 PHE 80 9.925 15.719 1.057 666 HE2 PHE 80 HE2 PHE 80 7.020 12.808 -0.182 667 HZ PHE 80 HZ PHE 80 7.823 15.153 -0.132 668 H PHE 81 H PHE 81 13.297 12.740 2.245 669 HA PHE 81 HA PHE 81 12.875 14.607 0.185 670 1HB PHE 81 1HB PHE 81 14.039 14.809 2.568 671 2HB PHE 81 2HB PHE 81 15.502 14.568 1.612 672 HD1 PHE 81 HD1 PHE 81 16.523 16.473 0.726 673 HD2 PHE 81 HD2 PHE 81 12.284 16.505 1.429 674 HE1 PHE 81 HE1 PHE 81 16.412 18.830 -0.034 675 HE2 PHE 81 HE2 PHE 81 12.175 18.861 0.670 676 HZ PHE 81 HZ PHE 81 14.240 20.025 -0.061 677 H PHE 82 H PHE 82 15.894 12.792 0.799 678 HA PHE 82 HA PHE 82 17.406 13.170 -1.327 679 1HB PHE 82 1HB PHE 82 17.863 11.424 0.349 680 2HB PHE 82 2HB PHE 82 16.634 10.397 -0.390 681 HD1 PHE 82 HD1 PHE 82 19.925 12.021 -0.925 682 HD2 PHE 82 HD2 PHE 82 17.049 9.211 -2.436 683 HE1 PHE 82 HE1 PHE 82 21.593 11.196 -2.565 684 HE2 PHE 82 HE2 PHE 82 18.717 8.386 -4.076 685 HZ PHE 82 HZ PHE 82 20.989 9.379 -4.141 686 H ASN 83 H ASN 83 14.386 11.329 -1.448 687 HA ASN 83 HA ASN 83 14.679 10.649 -4.237 688 1HB ASN 83 1HB ASN 83 13.365 9.211 -2.768 689 2HB ASN 83 2HB ASN 83 12.275 10.546 -2.397 690 1HD2 ASN 83 1HD2 ASN 83 10.430 10.632 -3.682 691 2HD2 ASN 83 2HD2 ASN 83 10.283 9.929 -5.220 692 H LEU 84 H LEU 84 12.627 12.919 -2.403 693 HA LEU 84 HA LEU 84 11.529 14.135 -4.754 694 1HB LEU 84 1HB LEU 84 10.242 14.142 -2.706 695 2HB LEU 84 2HB LEU 84 11.543 14.952 -1.838 696 HG LEU 84 HG LEU 84 11.274 16.948 -3.237 697 1HD1 LEU 84 1HD1 LEU 84 9.121 16.909 -4.721 698 2HD1 LEU 84 2HD1 LEU 84 9.316 15.158 -4.671 699 3HD1 LEU 84 3HD1 LEU 84 10.590 16.170 -5.350 700 1HD2 LEU 84 1HD2 LEU 84 9.820 16.531 -1.186 701 2HD2 LEU 84 2HD2 LEU 84 8.540 16.044 -2.297 702 3HD2 LEU 84 3HD2 LEU 84 9.172 17.690 -2.346 703 H ALA 85 H ALA 85 14.353 14.620 -2.793 704 HA ALA 85 HA ALA 85 14.850 17.319 -3.561 705 1HB ALA 85 1HB ALA 85 17.082 15.478 -2.798 706 2HB ALA 85 2HB ALA 85 15.848 15.853 -1.597 707 3HB ALA 85 3HB ALA 85 16.796 17.152 -2.320 708 H LYS 86 H LYS 86 14.970 14.438 -5.258 709 HA LYS 86 HA LYS 86 17.225 14.536 -6.848 710 1HB LYS 86 1HB LYS 86 15.601 12.713 -6.959 711 2HB LYS 86 2HB LYS 86 14.406 13.801 -7.668 712 1HG LYS 86 1HG LYS 86 15.728 14.096 -9.654 713 2HG LYS 86 2HG LYS 86 17.111 13.279 -8.926 714 1HD LYS 86 1HD LYS 86 16.122 11.640 -10.330 715 2HD LYS 86 2HD LYS 86 15.571 11.226 -8.707 716 1HE LYS 86 1HE LYS 86 13.432 12.296 -9.095 717 2HE LYS 86 2HE LYS 86 13.980 12.930 -10.645 718 1HZ LYS 86 1HZ LYS 86 14.322 10.576 -11.339 719 2HZ LYS 86 2HZ LYS 86 12.698 10.999 -11.070 720 3HZ LYS 86 3HZ LYS 86 13.546 10.090 -9.913 721 H LEU 87 H LEU 87 14.162 16.283 -7.283 722 HA LEU 87 HA LEU 87 14.473 17.454 -9.720 723 1HB LEU 87 1HB LEU 87 12.922 17.956 -7.409 724 2HB LEU 87 2HB LEU 87 13.649 19.501 -7.844 725 HG LEU 87 HG LEU 87 12.882 18.969 -10.258 726 1HD1 LEU 87 1HD1 LEU 87 11.080 17.400 -10.509 727 2HD1 LEU 87 2HD1 LEU 87 10.969 17.155 -8.767 728 3HD1 LEU 87 3HD1 LEU 87 12.366 16.548 -9.655 729 1HD2 LEU 87 1HD2 LEU 87 10.508 19.707 -9.678 730 2HD2 LEU 87 2HD2 LEU 87 11.799 20.722 -9.034 731 3HD2 LEU 87 3HD2 LEU 87 10.975 19.569 -7.983 732 H GLU 88 H GLU 88 15.808 18.871 -10.672 733 HA GLU 88 HA GLU 88 18.209 19.684 -9.341 734 1HB GLU 88 1HB GLU 88 17.088 20.503 -12.032 735 2HB GLU 88 2HB GLU 88 18.732 20.807 -11.471 736 1HG GLU 88 1HG GLU 88 17.548 18.028 -11.605 737 2HG GLU 88 2HG GLU 88 18.426 18.749 -12.952 738 H GLU 89 H GLU 89 18.712 21.574 -8.393 739 HA GLU 89 HA GLU 89 16.662 23.714 -8.415 740 1HB GLU 89 1HB GLU 89 18.581 22.795 -6.274 741 2HB GLU 89 2HB GLU 89 17.788 24.369 -6.211 742 1HG GLU 89 1HG GLU 89 15.581 23.247 -6.378 743 2HG GLU 89 2HG GLU 89 16.393 21.682 -6.379 744 H ASN 90 H ASN 90 19.792 24.167 -7.002 745 HA ASN 90 HA ASN 90 21.198 25.203 -9.213 746 1HB ASN 90 1HB ASN 90 20.985 27.666 -8.532 747 2HB ASN 90 2HB ASN 90 19.632 26.962 -9.416 748 1HD2 ASN 90 1HD2 ASN 90 20.159 26.088 -6.044 749 2HD2 ASN 90 2HD2 ASN 90 18.830 26.944 -5.427 750 H SER 91 H SER 91 23.266 25.829 -8.656 751 HA SER 91 HA SER 91 24.000 26.468 -5.946 752 1HB SER 91 1HB SER 91 23.802 24.082 -5.635 753 2HB SER 91 2HB SER 91 24.730 23.767 -7.098 754 HG SER 91 HG SER 91 26.366 23.783 -5.777 755 H ARG 92 H ARG 92 24.442 26.531 -9.214 756 HA ARG 92 HA ARG 92 27.316 26.788 -9.312 757 1HB ARG 92 1HB ARG 92 26.798 27.647 -11.657 758 2HB ARG 92 2HB ARG 92 26.274 26.000 -11.302 759 1HG ARG 92 1HG ARG 92 24.008 26.683 -10.991 760 2HG ARG 92 2HG ARG 92 24.455 28.388 -10.946 761 1HD ARG 92 1HD ARG 92 25.015 28.390 -13.278 762 2HD ARG 92 2HD ARG 92 24.912 26.634 -13.369 763 HE ARG 92 HE ARG 92 22.411 27.315 -12.595 764 1HH1 ARG 92 1HH1 ARG 92 24.540 28.480 -15.061 765 2HH1 ARG 92 2HH1 ARG 92 23.266 28.923 -16.147 766 1HH2 ARG 92 1HH2 ARG 92 20.734 27.891 -14.014 767 2HH2 ARG 92 2HH2 ARG 92 21.110 28.589 -15.554 768 H ASP 93 H ASP 93 27.685 29.000 -10.927 769 HA ASP 93 HA ASP 93 28.043 31.268 -10.852 770 1HB ASP 93 1HB ASP 93 25.648 31.486 -9.038 771 2HB ASP 93 2HB ASP 93 26.264 32.670 -10.188 772 H THR 94 H THR 94 28.578 29.258 -8.444 773 HA THR 94 HA THR 94 28.979 31.096 -6.243 774 HB THR 94 HB THR 94 28.392 28.759 -5.798 775 HG1 THR 94 HG1 THR 94 29.909 28.465 -4.229 776 1HG2 THR 94 1HG2 THR 94 29.851 28.048 -7.902 777 2HG2 THR 94 2HG2 THR 94 29.613 26.938 -6.553 778 3HG2 THR 94 3HG2 THR 94 31.108 27.863 -6.680 779 H LEU 95 H LEU 95 30.581 32.533 -6.329 780 HA LEU 95 HA LEU 95 33.060 31.893 -7.765 781 1HB LEU 95 1HB LEU 95 31.850 34.434 -6.687 782 2HB LEU 95 2HB LEU 95 33.547 34.361 -7.161 783 HG LEU 95 HG LEU 95 32.857 33.544 -9.408 784 1HD1 LEU 95 1HD1 LEU 95 30.772 32.483 -9.021 785 2HD1 LEU 95 2HD1 LEU 95 30.357 33.939 -9.924 786 3HD1 LEU 95 3HD1 LEU 95 30.120 33.887 -8.177 787 1HD2 LEU 95 1HD2 LEU 95 31.940 35.699 -10.193 788 2HD2 LEU 95 2HD2 LEU 95 33.214 35.958 -9.002 789 3HD2 LEU 95 3HD2 LEU 95 31.522 36.127 -8.534 790 H TYR 96 H TYR 96 35.094 31.962 -6.784 791 HA TYR 96 HA TYR 96 35.457 30.807 -4.339 792 1HB TYR 96 1HB TYR 96 37.550 32.779 -4.768 793 2HB TYR 96 2HB TYR 96 37.636 31.021 -4.868 794 HD1 TYR 96 HD1 TYR 96 37.905 34.003 -6.723 795 HD2 TYR 96 HD2 TYR 96 36.420 29.982 -7.007 796 HE1 TYR 96 HE1 TYR 96 38.002 34.142 -9.198 797 HE2 TYR 96 HE2 TYR 96 36.518 30.121 -9.481 798 HH TYR 96 HH TYR 96 36.610 31.680 -11.231 799 H GLN 97 H GLN 97 35.067 31.371 -2.302 800 HA GLN 97 HA GLN 97 35.544 34.007 -1.290 801 1HB GLN 97 1HB GLN 97 33.348 34.297 -2.485 802 2HB GLN 97 2HB GLN 97 32.654 33.122 -1.367 803 1HG GLN 97 1HG GLN 97 33.222 34.534 0.536 804 2HG GLN 97 2HG GLN 97 34.047 35.678 -0.521 805 1HE2 GLN 97 1HE2 GLN 97 31.996 36.722 1.008 806 2HE2 GLN 97 2HE2 GLN 97 30.631 37.027 0.046 807 H ASN 98 H ASN 98 36.769 32.917 0.248 808 HA ASN 98 HA ASN 98 35.734 30.754 1.812 809 1HB ASN 98 1HB ASN 98 38.054 32.587 2.454 810 2HB ASN 98 2HB ASN 98 37.757 30.982 3.119 811 1HD2 ASN 98 1HD2 ASN 98 36.947 29.697 0.642 812 2HD2 ASN 98 2HD2 ASN 98 38.318 29.609 -0.355 813 H SER 99 H SER 99 36.862 33.898 3.042 814 HA SER 99 HA SER 99 34.382 34.563 4.296 815 1HB SER 99 1HB SER 99 35.088 32.688 5.763 816 2HB SER 99 2HB SER 99 36.585 33.549 6.110 817 HG SER 99 HG SER 99 34.256 33.809 7.305 818 H GLY 100 H GLY 100 37.298 35.314 3.066 819 1HA GLY 100 1HA GLY 100 38.353 37.348 4.676 820 2HA GLY 100 2HA GLY 100 38.525 37.256 2.926 Start of MODEL 8 1 H MET 1 H MET 1 -8.446 15.528 -7.053 2 HA MET 1 HA MET 1 -9.386 15.454 -4.671 3 1HB MET 1 1HB MET 1 -11.683 15.857 -5.616 4 2HB MET 1 2HB MET 1 -10.411 16.772 -6.422 5 1HG MET 1 1HG MET 1 -10.328 14.687 -8.035 6 2HG MET 1 2HG MET 1 -11.957 14.397 -7.421 7 1HE MET 1 1HE MET 1 -11.664 14.712 -10.361 8 2HE MET 1 2HE MET 1 -10.172 15.640 -10.223 9 3HE MET 1 3HE MET 1 -11.556 16.329 -11.071 10 H GLU 2 H GLU 2 -10.735 13.105 -7.011 11 HA GLU 2 HA GLU 2 -11.864 11.550 -4.812 12 1HB GLU 2 1HB GLU 2 -12.880 10.195 -6.616 13 2HB GLU 2 2HB GLU 2 -13.256 11.910 -6.785 14 1HG GLU 2 1HG GLU 2 -11.183 12.018 -8.324 15 2HG GLU 2 2HG GLU 2 -11.288 10.259 -8.369 16 H GLN 3 H GLN 3 -9.265 11.417 -7.141 17 HA GLN 3 HA GLN 3 -8.492 8.813 -7.283 18 1HB GLN 3 1HB GLN 3 -7.297 10.876 -8.181 19 2HB GLN 3 2HB GLN 3 -6.524 10.991 -6.601 20 1HG GLN 3 1HG GLN 3 -5.613 8.734 -6.846 21 2HG GLN 3 2HG GLN 3 -6.444 8.545 -8.389 22 1HE2 GLN 3 1HE2 GLN 3 -4.523 11.291 -7.048 23 2HE2 GLN 3 2HE2 GLN 3 -3.448 11.363 -8.359 24 H PHE 4 H PHE 4 -6.936 10.880 -4.852 25 HA PHE 4 HA PHE 4 -5.882 8.950 -3.226 26 1HB PHE 4 1HB PHE 4 -7.123 11.129 -1.683 27 2HB PHE 4 2HB PHE 4 -5.428 10.663 -1.809 28 HD1 PHE 4 HD1 PHE 4 -7.570 13.293 -2.414 29 HD2 PHE 4 HD2 PHE 4 -4.539 10.996 -4.415 30 HE1 PHE 4 HE1 PHE 4 -7.160 15.184 -3.964 31 HE2 PHE 4 HE2 PHE 4 -4.130 12.889 -5.964 32 HZ PHE 4 HZ PHE 4 -5.440 14.983 -5.739 33 H ASN 5 H ASN 5 -9.146 10.331 -2.975 34 HA ASN 5 HA ASN 5 -9.997 8.756 -0.801 35 1HB ASN 5 1HB ASN 5 -11.147 10.806 -1.755 36 2HB ASN 5 2HB ASN 5 -11.769 9.761 -3.032 37 1HD2 ASN 5 1HD2 ASN 5 -11.476 9.558 0.572 38 2HD2 ASN 5 2HD2 ASN 5 -13.061 8.995 0.805 39 H ALA 6 H ALA 6 -9.692 8.063 -4.207 40 HA ALA 6 HA ALA 6 -11.340 5.678 -4.084 41 1HB ALA 6 1HB ALA 6 -10.886 7.253 -6.123 42 2HB ALA 6 2HB ALA 6 -11.014 5.515 -6.385 43 3HB ALA 6 3HB ALA 6 -9.427 6.282 -6.319 44 H PHE 7 H PHE 7 -7.889 6.195 -4.899 45 HA PHE 7 HA PHE 7 -7.118 3.515 -4.688 46 1HB PHE 7 1HB PHE 7 -5.274 4.515 -5.509 47 2HB PHE 7 2HB PHE 7 -5.800 6.090 -4.933 48 HD1 PHE 7 HD1 PHE 7 -3.633 3.238 -4.328 49 HD2 PHE 7 HD2 PHE 7 -5.307 6.777 -2.561 50 HE1 PHE 7 HE1 PHE 7 -1.917 3.157 -2.540 51 HE2 PHE 7 HE2 PHE 7 -3.591 6.697 -0.774 52 HZ PHE 7 HZ PHE 7 -1.895 4.886 -0.763 53 H LYS 8 H LYS 8 -7.169 6.077 -2.239 54 HA LYS 8 HA LYS 8 -6.064 4.555 -0.120 55 1HB LYS 8 1HB LYS 8 -6.327 7.072 -0.231 56 2HB LYS 8 2HB LYS 8 -8.024 6.823 0.185 57 1HG LYS 8 1HG LYS 8 -7.153 5.424 2.164 58 2HG LYS 8 2HG LYS 8 -5.578 6.141 1.824 59 1HD LYS 8 1HD LYS 8 -8.132 7.554 2.622 60 2HD LYS 8 2HD LYS 8 -6.586 7.550 3.469 61 1HE LYS 8 1HE LYS 8 -5.629 8.639 1.325 62 2HE LYS 8 2HE LYS 8 -7.312 8.958 0.900 63 1HZ LYS 8 1HZ LYS 8 -6.671 9.651 3.612 64 2HZ LYS 8 2HZ LYS 8 -7.456 10.566 2.414 65 3HZ LYS 8 3HZ LYS 8 -5.759 10.523 2.478 66 H SER 9 H SER 9 -9.448 5.189 -1.086 67 HA SER 9 HA SER 9 -10.603 3.925 1.094 68 1HB SER 9 1HB SER 9 -12.572 3.495 -0.549 69 2HB SER 9 2HB SER 9 -12.094 5.167 -0.273 70 HG SER 9 HG SER 9 -11.512 3.477 -2.464 71 H LEU 10 H LEU 10 -8.988 2.647 -1.663 72 HA LEU 10 HA LEU 10 -10.035 0.010 -1.651 73 1HB LEU 10 1HB LEU 10 -8.397 1.289 -3.336 74 2HB LEU 10 2HB LEU 10 -7.167 0.483 -2.366 75 HG LEU 10 HG LEU 10 -9.435 -0.819 -3.901 76 1HD1 LEU 10 1HD1 LEU 10 -7.568 -0.320 -5.324 77 2HD1 LEU 10 2HD1 LEU 10 -7.453 -2.036 -4.933 78 3HD1 LEU 10 3HD1 LEU 10 -6.414 -0.874 -4.110 79 1HD2 LEU 10 1HD2 LEU 10 -7.552 -1.918 -1.807 80 2HD2 LEU 10 2HD2 LEU 10 -8.260 -2.958 -3.042 81 3HD2 LEU 10 3HD2 LEU 10 -9.303 -2.103 -1.910 82 H LEU 11 H LEU 11 -7.358 1.592 0.051 83 HA LEU 11 HA LEU 11 -6.280 -0.690 1.295 84 1HB LEU 11 1HB LEU 11 -6.333 2.229 2.051 85 2HB LEU 11 2HB LEU 11 -5.603 1.032 3.115 86 HG LEU 11 HG LEU 11 -4.845 1.164 0.196 87 1HD1 LEU 11 1HD1 LEU 11 -3.688 2.787 2.483 88 2HD1 LEU 11 2HD1 LEU 11 -4.480 3.417 1.042 89 3HD1 LEU 11 3HD1 LEU 11 -2.924 2.604 0.906 90 1HD2 LEU 11 1HD2 LEU 11 -3.588 0.107 2.744 91 2HD2 LEU 11 2HD2 LEU 11 -2.662 0.318 1.260 92 3HD2 LEU 11 3HD2 LEU 11 -4.027 -0.796 1.295 93 H LYS 12 H LYS 12 -8.804 1.583 2.408 94 HA LYS 12 HA LYS 12 -9.414 0.688 4.897 95 1HB LYS 12 1HB LYS 12 -10.754 2.346 3.534 96 2HB LYS 12 2HB LYS 12 -11.550 0.967 2.772 97 1HG LYS 12 1HG LYS 12 -12.338 0.176 4.948 98 2HG LYS 12 2HG LYS 12 -11.481 1.487 5.758 99 1HD LYS 12 1HD LYS 12 -12.880 3.149 4.689 100 2HD LYS 12 2HD LYS 12 -13.643 1.920 3.679 101 1HE LYS 12 1HE LYS 12 -13.758 1.870 6.703 102 2HE LYS 12 2HE LYS 12 -14.998 2.630 5.705 103 1HZ LYS 12 1HZ LYS 12 -15.706 0.433 6.134 104 2HZ LYS 12 2HZ LYS 12 -14.190 -0.223 5.733 105 3HZ LYS 12 3HZ LYS 12 -15.176 0.450 4.522 106 H LYS 13 H LYS 13 -10.698 -0.863 1.955 107 HA LYS 13 HA LYS 13 -11.905 -3.106 3.086 108 1HB LYS 13 1HB LYS 13 -10.557 -2.587 0.453 109 2HB LYS 13 2HB LYS 13 -11.167 -4.194 0.839 110 1HG LYS 13 1HG LYS 13 -12.924 -1.776 1.222 111 2HG LYS 13 2HG LYS 13 -12.747 -2.497 -0.378 112 1HD LYS 13 1HD LYS 13 -13.951 -4.358 0.181 113 2HD LYS 13 2HD LYS 13 -13.275 -4.433 1.807 114 1HE LYS 13 1HE LYS 13 -15.780 -3.862 1.605 115 2HE LYS 13 2HE LYS 13 -14.802 -2.823 2.640 116 1HZ LYS 13 1HZ LYS 13 -14.826 -1.127 1.118 117 2HZ LYS 13 2HZ LYS 13 -16.372 -1.789 0.873 118 3HZ LYS 13 3HZ LYS 13 -15.108 -2.152 -0.204 119 H HIS 14 H HIS 14 -8.546 -2.601 2.125 120 HA HIS 14 HA HIS 14 -7.582 -5.210 2.762 121 1HB HIS 14 1HB HIS 14 -6.473 -3.564 1.249 122 2HB HIS 14 2HB HIS 14 -6.030 -2.628 2.673 123 HD1 HIS 14 HD1 HIS 14 -6.060 -6.284 3.157 124 HD2 HIS 14 HD2 HIS 14 -3.262 -3.391 2.069 125 HE1 HIS 14 HE1 HIS 14 -3.782 -7.369 3.384 126 HE2 HIS 14 HE2 HIS 14 -2.066 -5.618 2.722 127 H TYR 15 H TYR 15 -6.872 -2.123 4.417 128 HA TYR 15 HA TYR 15 -6.023 -3.478 6.804 129 1HB TYR 15 1HB TYR 15 -6.248 -0.628 5.897 130 2HB TYR 15 2HB TYR 15 -6.046 -0.966 7.614 131 HD1 TYR 15 HD1 TYR 15 -3.831 -0.772 8.318 132 HD2 TYR 15 HD2 TYR 15 -4.650 -2.404 4.432 133 HE1 TYR 15 HE1 TYR 15 -1.404 -1.125 7.950 134 HE2 TYR 15 HE2 TYR 15 -2.226 -2.757 4.067 135 HH TYR 15 HH TYR 15 -0.194 -2.611 4.945 136 H GLU 16 H GLU 16 -8.906 -3.711 5.864 137 HA GLU 16 HA GLU 16 -10.715 -2.295 7.362 138 1HB GLU 16 1HB GLU 16 -11.167 -4.172 5.700 139 2HB GLU 16 2HB GLU 16 -10.869 -5.294 7.028 140 1HG GLU 16 1HG GLU 16 -13.198 -4.986 7.111 141 2HG GLU 16 2HG GLU 16 -12.605 -3.864 8.334 142 H LYS 17 H LYS 17 -9.370 -5.443 8.393 143 HA LYS 17 HA LYS 17 -10.142 -4.964 11.138 144 1HB LYS 17 1HB LYS 17 -8.423 -7.174 9.981 145 2HB LYS 17 2HB LYS 17 -9.186 -7.159 11.572 146 1HG LYS 17 1HG LYS 17 -11.384 -7.239 10.617 147 2HG LYS 17 2HG LYS 17 -10.761 -6.920 8.998 148 1HD LYS 17 1HD LYS 17 -11.296 -9.318 9.296 149 2HD LYS 17 2HD LYS 17 -9.572 -9.075 9.014 150 1HE LYS 17 1HE LYS 17 -10.283 -10.661 10.946 151 2HE LYS 17 2HE LYS 17 -9.020 -9.473 11.268 152 1HZ LYS 17 1HZ LYS 17 -10.994 -9.701 12.895 153 2HZ LYS 17 2HZ LYS 17 -11.841 -8.781 11.744 154 3HZ LYS 17 3HZ LYS 17 -10.441 -8.153 12.476 155 H THR 18 H THR 18 -7.701 -3.791 9.297 156 HA THR 18 HA THR 18 -5.745 -3.768 11.517 157 HB THR 18 HB THR 18 -4.966 -2.840 8.796 158 HG1 THR 18 HG1 THR 18 -4.579 -5.200 8.405 159 1HG2 THR 18 1HG2 THR 18 -2.905 -4.052 9.394 160 2HG2 THR 18 2HG2 THR 18 -3.679 -4.651 10.861 161 3HG2 THR 18 3HG2 THR 18 -3.365 -2.927 10.671 162 H ILE 19 H ILE 19 -7.986 -2.082 11.664 163 HA ILE 19 HA ILE 19 -7.318 0.530 10.647 164 HB ILE 19 HB ILE 19 -9.653 -0.050 10.932 165 1HG1 ILE 19 1HG1 ILE 19 -8.875 1.973 13.055 166 2HG1 ILE 19 2HG1 ILE 19 -8.893 2.317 11.325 167 1HG2 ILE 19 1HG2 ILE 19 -9.451 -0.044 13.916 168 2HG2 ILE 19 2HG2 ILE 19 -8.965 -1.512 13.068 169 3HG2 ILE 19 3HG2 ILE 19 -10.598 -0.878 12.870 170 1HD1 ILE 19 1HD1 ILE 19 -11.300 1.652 11.262 171 2HD1 ILE 19 2HD1 ILE 19 -11.004 3.046 12.302 172 3HD1 ILE 19 3HD1 ILE 19 -11.257 1.452 13.014 173 H GLY 20 H GLY 20 -7.808 -0.536 14.034 174 1HA GLY 20 1HA GLY 20 -6.864 1.429 15.520 175 2HA GLY 20 2HA GLY 20 -6.342 -0.217 15.848 176 H PHE 21 H PHE 21 -4.791 -0.554 13.468 177 HA PHE 21 HA PHE 21 -2.343 0.712 14.318 178 1HB PHE 21 1HB PHE 21 -2.281 -1.572 13.506 179 2HB PHE 21 2HB PHE 21 -3.013 -1.086 11.979 180 HD1 PHE 21 HD1 PHE 21 -1.635 -0.565 10.169 181 HD2 PHE 21 HD2 PHE 21 -0.049 -0.329 14.152 182 HE1 PHE 21 HE1 PHE 21 0.617 -0.096 9.244 183 HE2 PHE 21 HE2 PHE 21 2.205 0.146 13.224 184 HZ PHE 21 HZ PHE 21 2.533 0.260 10.770 185 H HIS 22 H HIS 22 -4.379 0.821 11.400 186 HA HIS 22 HA HIS 22 -2.891 2.809 10.040 187 1HB HIS 22 1HB HIS 22 -4.566 1.347 8.931 188 2HB HIS 22 2HB HIS 22 -5.845 2.150 9.835 189 HD1 HIS 22 HD1 HIS 22 -6.315 4.677 9.260 190 HD2 HIS 22 HD2 HIS 22 -3.619 2.790 6.704 191 HE1 HIS 22 HE1 HIS 22 -6.101 6.164 7.222 192 HE2 HIS 22 HE2 HIS 22 -4.450 5.033 5.657 193 H ASP 23 H ASP 23 -5.209 3.008 12.622 194 HA ASP 23 HA ASP 23 -5.616 5.876 12.261 195 1HB ASP 23 1HB ASP 23 -7.248 4.022 13.290 196 2HB ASP 23 2HB ASP 23 -6.401 4.457 14.773 197 H LYS 24 H LYS 24 -3.245 3.921 13.435 198 HA LYS 24 HA LYS 24 -2.362 5.666 15.633 199 1HB LYS 24 1HB LYS 24 -2.227 2.921 15.212 200 2HB LYS 24 2HB LYS 24 -0.598 3.471 14.835 201 1HG LYS 24 1HG LYS 24 -0.499 3.092 17.153 202 2HG LYS 24 2HG LYS 24 -0.788 4.828 17.054 203 1HD LYS 24 1HD LYS 24 -3.304 4.215 17.174 204 2HD LYS 24 2HD LYS 24 -2.749 2.636 17.729 205 1HE LYS 24 1HE LYS 24 -3.054 3.831 19.735 206 2HE LYS 24 2HE LYS 24 -1.322 3.983 19.437 207 1HZ LYS 24 1HZ LYS 24 -2.515 6.095 20.013 208 2HZ LYS 24 2HZ LYS 24 -3.300 5.986 18.510 209 3HZ LYS 24 3HZ LYS 24 -1.609 6.145 18.578 210 H TYR 25 H TYR 25 -0.943 4.448 12.549 211 HA TYR 25 HA TYR 25 0.716 6.894 12.682 212 1HB TYR 25 1HB TYR 25 1.553 4.309 11.360 213 2HB TYR 25 2HB TYR 25 2.556 5.721 11.701 214 HD1 TYR 25 HD1 TYR 25 1.705 2.522 12.849 215 HD2 TYR 25 HD2 TYR 25 2.453 6.502 14.278 216 HE1 TYR 25 HE1 TYR 25 2.222 1.616 15.099 217 HE2 TYR 25 HE2 TYR 25 2.971 5.596 16.528 218 HH TYR 25 HH TYR 25 3.202 3.774 17.767 219 H ILE 26 H ILE 26 0.021 4.486 10.123 220 HA ILE 26 HA ILE 26 0.278 6.071 7.937 221 HB ILE 26 HB ILE 26 -2.039 4.155 8.242 222 1HG1 ILE 26 1HG1 ILE 26 0.904 3.647 7.697 223 2HG1 ILE 26 2HG1 ILE 26 -0.046 3.028 9.048 224 1HG2 ILE 26 1HG2 ILE 26 -0.305 4.840 5.850 225 2HG2 ILE 26 2HG2 ILE 26 -1.859 5.606 6.177 226 3HG2 ILE 26 3HG2 ILE 26 -1.780 3.876 5.851 227 1HD1 ILE 26 1HD1 ILE 26 0.127 1.245 7.444 228 2HD1 ILE 26 2HD1 ILE 26 -0.333 2.312 6.120 229 3HD1 ILE 26 3HD1 ILE 26 -1.520 1.863 7.345 230 H LYS 27 H LYS 27 -2.552 5.918 10.053 231 HA LYS 27 HA LYS 27 -4.597 7.107 9.808 232 1HB LYS 27 1HB LYS 27 -3.068 8.127 11.522 233 2HB LYS 27 2HB LYS 27 -2.577 9.297 10.299 234 1HG LYS 27 1HG LYS 27 -4.913 10.031 10.040 235 2HG LYS 27 2HG LYS 27 -5.429 8.832 11.224 236 1HD LYS 27 1HD LYS 27 -5.254 10.744 12.551 237 2HD LYS 27 2HD LYS 27 -3.666 10.013 12.781 238 1HE LYS 27 1HE LYS 27 -3.476 12.431 12.301 239 2HE LYS 27 2HE LYS 27 -2.733 11.470 11.025 240 1HZ LYS 27 1HZ LYS 27 -4.924 13.271 10.870 241 2HZ LYS 27 2HZ LYS 27 -5.373 11.733 10.306 242 3HZ LYS 27 3HZ LYS 27 -4.046 12.539 9.616 243 H ASP 28 H ASP 28 -3.157 10.047 8.940 244 HA ASP 28 HA ASP 28 -3.548 9.801 6.081 245 1HB ASP 28 1HB ASP 28 -5.862 10.142 7.077 246 2HB ASP 28 2HB ASP 28 -5.309 11.736 7.589 247 H ILE 29 H ILE 29 -1.233 10.361 6.582 248 HA ILE 29 HA ILE 29 -0.436 12.822 7.649 249 HB ILE 29 HB ILE 29 1.070 11.647 5.340 250 1HG1 ILE 29 1HG1 ILE 29 0.652 10.340 8.046 251 2HG1 ILE 29 2HG1 ILE 29 0.303 9.647 6.462 252 1HG2 ILE 29 1HG2 ILE 29 1.753 13.619 6.933 253 2HG2 ILE 29 2HG2 ILE 29 2.948 12.385 6.533 254 3HG2 ILE 29 3HG2 ILE 29 2.109 12.330 8.083 255 1HD1 ILE 29 1HD1 ILE 29 3.013 10.263 7.656 256 2HD1 ILE 29 2HD1 ILE 29 2.785 9.929 5.937 257 3HD1 ILE 29 3HD1 ILE 29 2.386 8.695 7.137 258 H ASN 30 H ASN 30 1.161 13.717 5.308 259 HA ASN 30 HA ASN 30 -0.796 14.715 3.405 260 1HB ASN 30 1HB ASN 30 0.410 16.416 5.557 261 2HB ASN 30 2HB ASN 30 0.154 17.126 3.966 262 1HD2 ASN 30 1HD2 ASN 30 -1.340 18.190 6.041 263 2HD2 ASN 30 2HD2 ASN 30 -2.960 17.696 5.916 264 H ARG 31 H ARG 31 1.790 13.151 3.546 265 HA ARG 31 HA ARG 31 3.182 14.692 1.456 266 1HB ARG 31 1HB ARG 31 4.504 13.308 3.797 267 2HB ARG 31 2HB ARG 31 5.364 13.929 2.392 268 1HG ARG 31 1HG ARG 31 3.577 15.647 4.128 269 2HG ARG 31 2HG ARG 31 5.308 15.478 4.405 270 1HD ARG 31 1HD ARG 31 5.661 17.107 2.887 271 2HD ARG 31 2HD ARG 31 5.008 16.049 1.642 272 HE ARG 31 HE ARG 31 2.807 17.159 2.900 273 1HH1 ARG 31 1HH1 ARG 31 5.630 18.258 1.226 274 2HH1 ARG 31 2HH1 ARG 31 4.881 19.699 0.626 275 1HH2 ARG 31 1HH2 ARG 31 1.819 19.047 2.116 276 2HH2 ARG 31 2HH2 ARG 31 2.723 20.147 1.130 277 H PHE 32 H PHE 32 2.288 13.406 -0.091 278 HA PHE 32 HA PHE 32 3.562 10.793 -0.463 279 1HB PHE 32 1HB PHE 32 1.487 9.660 -0.967 280 2HB PHE 32 2HB PHE 32 1.340 10.357 0.647 281 HD1 PHE 32 HD1 PHE 32 0.308 10.645 -2.883 282 HD2 PHE 32 HD2 PHE 32 -0.137 12.244 1.079 283 HE1 PHE 32 HE1 PHE 32 -1.686 11.920 -3.622 284 HE2 PHE 32 HE2 PHE 32 -2.131 13.519 0.339 285 HZ PHE 32 HZ PHE 32 -2.905 13.357 -2.012 286 H VAL 33 H VAL 33 4.294 10.689 -2.508 287 HA VAL 33 HA VAL 33 2.934 12.355 -4.549 288 HB VAL 33 HB VAL 33 5.047 13.064 -5.437 289 1HG1 VAL 33 1HG1 VAL 33 4.211 14.395 -3.568 290 2HG1 VAL 33 2HG1 VAL 33 5.970 14.300 -3.477 291 3HG1 VAL 33 3HG1 VAL 33 4.977 13.303 -2.414 292 1HG2 VAL 33 1HG2 VAL 33 7.160 12.389 -4.151 293 2HG2 VAL 33 2HG2 VAL 33 6.425 11.136 -5.151 294 3HG2 VAL 33 3HG2 VAL 33 6.177 11.128 -3.405 295 H PHE 34 H PHE 34 2.695 11.521 -6.527 296 HA PHE 34 HA PHE 34 3.987 8.947 -7.169 297 1HB PHE 34 1HB PHE 34 1.993 7.900 -7.738 298 2HB PHE 34 2HB PHE 34 1.477 8.856 -6.349 299 HD1 PHE 34 HD1 PHE 34 0.916 8.150 -9.802 300 HD2 PHE 34 HD2 PHE 34 0.578 11.235 -6.834 301 HE1 PHE 34 HE1 PHE 34 -0.734 9.340 -11.227 302 HE2 PHE 34 HE2 PHE 34 -1.073 12.427 -8.255 303 HZ PHE 34 HZ PHE 34 -1.728 11.478 -10.452 304 H LYS 35 H LYS 35 4.559 8.711 -9.302 305 HA LYS 35 HA LYS 35 3.953 10.991 -11.099 306 1HB LYS 35 1HB LYS 35 6.489 9.345 -10.902 307 2HB LYS 35 2HB LYS 35 6.163 10.542 -12.156 308 1HG LYS 35 1HG LYS 35 5.695 12.144 -10.120 309 2HG LYS 35 2HG LYS 35 6.648 10.965 -9.218 310 1HD LYS 35 1HD LYS 35 7.534 12.454 -11.707 311 2HD LYS 35 2HD LYS 35 8.116 12.729 -10.065 312 1HE LYS 35 1HE LYS 35 8.498 10.247 -11.754 313 2HE LYS 35 2HE LYS 35 9.747 11.341 -11.163 314 1HZ LYS 35 1HZ LYS 35 8.568 10.659 -8.882 315 2HZ LYS 35 2HZ LYS 35 9.892 9.819 -9.536 316 3HZ LYS 35 3HZ LYS 35 8.313 9.237 -9.769 317 H ASN 36 H ASN 36 4.438 7.547 -10.737 318 HA ASN 36 HA ASN 36 2.653 6.317 -12.141 319 1HB ASN 36 1HB ASN 36 2.640 7.747 -14.051 320 2HB ASN 36 2HB ASN 36 4.394 7.662 -14.215 321 1HD2 ASN 36 1HD2 ASN 36 4.322 6.749 -16.372 322 2HD2 ASN 36 2HD2 ASN 36 3.765 5.171 -16.657 323 H ASN 37 H ASN 37 5.999 6.736 -11.619 324 HA ASN 37 HA ASN 37 6.622 3.988 -12.413 325 1HB ASN 37 1HB ASN 37 8.084 5.974 -13.076 326 2HB ASN 37 2HB ASN 37 8.572 6.030 -11.382 327 1HD2 ASN 37 1HD2 ASN 37 8.147 3.455 -13.891 328 2HD2 ASN 37 2HD2 ASN 37 9.605 2.666 -13.523 329 H VAL 38 H VAL 38 6.725 6.127 -9.623 330 HA VAL 38 HA VAL 38 6.573 3.782 -7.868 331 HB VAL 38 HB VAL 38 8.719 5.887 -7.525 332 1HG1 VAL 38 1HG1 VAL 38 9.521 4.160 -5.828 333 2HG1 VAL 38 2HG1 VAL 38 7.950 3.380 -6.014 334 3HG1 VAL 38 3HG1 VAL 38 8.048 5.029 -5.393 335 1HG2 VAL 38 1HG2 VAL 38 8.818 3.037 -8.549 336 2HG2 VAL 38 2HG2 VAL 38 10.244 3.919 -8.005 337 3HG2 VAL 38 3HG2 VAL 38 9.330 4.496 -9.397 338 H LEU 39 H LEU 39 6.002 4.293 -5.681 339 HA LEU 39 HA LEU 39 4.816 6.979 -5.318 340 1HB LEU 39 1HB LEU 39 3.571 4.279 -5.048 341 2HB LEU 39 2HB LEU 39 3.139 5.485 -3.839 342 HG LEU 39 HG LEU 39 2.692 7.066 -5.805 343 1HD1 LEU 39 1HD1 LEU 39 3.139 4.460 -7.226 344 2HD1 LEU 39 2HD1 LEU 39 3.595 6.091 -7.714 345 3HD1 LEU 39 3HD1 LEU 39 1.919 5.569 -7.850 346 1HD2 LEU 39 1HD2 LEU 39 0.432 6.091 -6.184 347 2HD2 LEU 39 2HD2 LEU 39 0.889 6.092 -4.480 348 3HD2 LEU 39 3HD2 LEU 39 0.976 4.600 -5.415 349 H LEU 40 H LEU 40 5.476 7.975 -3.513 350 HA LEU 40 HA LEU 40 6.652 6.310 -1.365 351 1HB LEU 40 1HB LEU 40 7.781 8.498 -2.866 352 2HB LEU 40 2HB LEU 40 7.637 8.980 -1.178 353 HG LEU 40 HG LEU 40 8.800 6.289 -1.894 354 1HD1 LEU 40 1HD1 LEU 40 11.051 7.400 -1.777 355 2HD1 LEU 40 2HD1 LEU 40 10.231 8.960 -1.833 356 3HD1 LEU 40 3HD1 LEU 40 10.112 7.852 -3.200 357 1HD2 LEU 40 1HD2 LEU 40 9.257 8.229 0.399 358 2HD2 LEU 40 2HD2 LEU 40 9.940 6.609 0.263 359 3HD2 LEU 40 3HD2 LEU 40 8.200 6.818 0.463 360 H ILE 41 H ILE 41 6.147 6.791 0.734 361 HA ILE 41 HA ILE 41 4.252 8.995 1.243 362 HB ILE 41 HB ILE 41 3.811 6.077 1.912 363 1HG1 ILE 41 1HG1 ILE 41 1.953 8.060 0.586 364 2HG1 ILE 41 2HG1 ILE 41 3.087 7.075 -0.338 365 1HG2 ILE 41 1HG2 ILE 41 3.222 7.218 3.914 366 2HG2 ILE 41 2HG2 ILE 41 1.702 7.034 3.039 367 3HG2 ILE 41 3HG2 ILE 41 2.544 8.584 3.029 368 1HD1 ILE 41 1HD1 ILE 41 0.744 6.106 -0.089 369 2HD1 ILE 41 2HD1 ILE 41 1.113 5.886 1.620 370 3HD1 ILE 41 3HD1 ILE 41 2.062 5.043 0.399 371 H LEU 42 H LEU 42 4.563 9.991 3.160 372 HA LEU 42 HA LEU 42 6.919 9.627 4.623 373 1HB LEU 42 1HB LEU 42 4.521 11.294 4.796 374 2HB LEU 42 2HB LEU 42 5.194 10.917 6.378 375 HG LEU 42 HG LEU 42 6.148 13.003 5.400 376 1HD1 LEU 42 1HD1 LEU 42 8.211 12.601 6.302 377 2HD1 LEU 42 2HD1 LEU 42 8.458 11.128 5.369 378 3HD1 LEU 42 3HD1 LEU 42 7.446 11.097 6.813 379 1HD2 LEU 42 1HD2 LEU 42 7.242 13.068 3.365 380 2HD2 LEU 42 2HD2 LEU 42 6.061 11.808 3.010 381 3HD2 LEU 42 3HD2 LEU 42 7.714 11.372 3.437 382 H LEU 43 H LEU 43 7.480 8.466 6.333 383 HA LEU 43 HA LEU 43 5.566 7.304 8.151 384 1HB LEU 43 1HB LEU 43 5.652 5.719 6.148 385 2HB LEU 43 2HB LEU 43 7.320 5.388 6.612 386 HG LEU 43 HG LEU 43 6.395 4.889 8.962 387 1HD1 LEU 43 1HD1 LEU 43 4.198 5.687 8.986 388 2HD1 LEU 43 2HD1 LEU 43 3.945 3.970 8.678 389 3HD1 LEU 43 3HD1 LEU 43 3.866 5.124 7.348 390 1HD2 LEU 43 1HD2 LEU 43 5.497 3.041 6.732 391 2HD2 LEU 43 2HD2 LEU 43 5.938 2.588 8.378 392 3HD2 LEU 43 3HD2 LEU 43 7.169 3.184 7.269 393 H GLU 44 H GLU 44 6.611 8.203 9.863 394 HA GLU 44 HA GLU 44 9.508 8.026 10.101 395 1HB GLU 44 1HB GLU 44 7.495 9.133 12.070 396 2HB GLU 44 2HB GLU 44 9.238 9.401 12.073 397 1HG GLU 44 1HG GLU 44 9.141 10.658 10.037 398 2HG GLU 44 2HG GLU 44 7.472 10.175 9.741 399 H ASN 45 H ASN 45 6.732 7.038 12.128 400 HA ASN 45 HA ASN 45 7.844 5.709 14.166 401 1HB ASN 45 1HB ASN 45 5.575 4.745 12.422 402 2HB ASN 45 2HB ASN 45 5.997 4.000 13.962 403 1HD2 ASN 45 1HD2 ASN 45 5.615 5.253 15.930 404 2HD2 ASN 45 2HD2 ASN 45 4.650 6.649 15.911 405 H GLU 46 H GLU 46 9.918 4.942 13.681 406 HA GLU 46 HA GLU 46 10.864 3.309 11.737 407 1HB GLU 46 1HB GLU 46 12.341 4.032 13.468 408 2HB GLU 46 2HB GLU 46 11.401 3.203 14.709 409 1HG GLU 46 1HG GLU 46 12.072 1.054 13.930 410 2HG GLU 46 2HG GLU 46 12.700 1.716 12.421 411 H PHE 47 H PHE 47 8.647 2.413 14.289 412 HA PHE 47 HA PHE 47 8.884 -0.406 13.998 413 1HB PHE 47 1HB PHE 47 7.892 0.724 15.984 414 2HB PHE 47 2HB PHE 47 6.516 1.198 14.988 415 HD1 PHE 47 HD1 PHE 47 8.466 -1.790 16.104 416 HD2 PHE 47 HD2 PHE 47 4.709 -0.274 14.677 417 HE1 PHE 47 HE1 PHE 47 7.423 -4.007 16.494 418 HE2 PHE 47 HE2 PHE 47 3.665 -2.491 15.067 419 HZ PHE 47 HZ PHE 47 5.022 -4.357 15.975 420 H ALA 48 H ALA 48 6.076 1.612 13.153 421 HA ALA 48 HA ALA 48 4.661 -0.062 11.565 422 1HB ALA 48 1HB ALA 48 3.983 1.965 10.233 423 2HB ALA 48 2HB ALA 48 5.209 2.875 11.116 424 3HB ALA 48 3HB ALA 48 3.849 2.160 11.983 425 H ARG 49 H ARG 49 7.728 1.406 10.718 426 HA ARG 49 HA ARG 49 7.489 0.607 7.925 427 1HB ARG 49 1HB ARG 49 10.176 1.345 8.817 428 2HB ARG 49 2HB ARG 49 9.173 2.069 7.561 429 1HG ARG 49 1HG ARG 49 7.834 3.119 9.501 430 2HG ARG 49 2HG ARG 49 9.200 2.662 10.509 431 1HD ARG 49 1HD ARG 49 9.361 4.381 8.024 432 2HD ARG 49 2HD ARG 49 9.431 4.977 9.681 433 HE ARG 49 HE ARG 49 11.453 3.222 9.691 434 1HH1 ARG 49 1HH1 ARG 49 10.482 5.608 7.382 435 2HH1 ARG 49 2HH1 ARG 49 12.089 5.910 6.810 436 1HH2 ARG 49 1HH2 ARG 49 13.565 3.614 8.949 437 2HH2 ARG 49 2HH2 ARG 49 13.835 4.781 7.700 438 H ASN 50 H ASN 50 9.018 -0.482 10.878 439 HA ASN 50 HA ASN 50 10.853 -2.322 9.931 440 1HB ASN 50 1HB ASN 50 10.546 -1.663 12.301 441 2HB ASN 50 2HB ASN 50 9.083 -2.646 12.357 442 1HD2 ASN 50 1HD2 ASN 50 12.616 -2.787 12.164 443 2HD2 ASN 50 2HD2 ASN 50 12.736 -4.455 12.454 444 H SER 51 H SER 51 7.396 -2.651 10.531 445 HA SER 51 HA SER 51 7.285 -5.439 9.666 446 1HB SER 51 1HB SER 51 5.929 -4.006 11.539 447 2HB SER 51 2HB SER 51 4.783 -4.000 10.203 448 HG SER 51 HG SER 51 5.358 -5.972 11.877 449 H LEU 52 H LEU 52 5.797 -2.339 8.667 450 HA LEU 52 HA LEU 52 4.244 -3.220 6.594 451 1HB LEU 52 1HB LEU 52 5.788 -0.683 6.993 452 2HB LEU 52 2HB LEU 52 4.938 -0.951 5.473 453 HG LEU 52 HG LEU 52 3.643 -1.170 8.209 454 1HD1 LEU 52 1HD1 LEU 52 4.242 1.141 7.840 455 2HD1 LEU 52 2HD1 LEU 52 2.515 0.977 7.521 456 3HD1 LEU 52 3HD1 LEU 52 3.654 1.079 6.177 457 1HD2 LEU 52 1HD2 LEU 52 2.168 -2.357 6.913 458 2HD2 LEU 52 2HD2 LEU 52 2.758 -1.654 5.408 459 3HD2 LEU 52 3HD2 LEU 52 1.632 -0.752 6.420 460 H ASN 53 H ASN 53 7.625 -2.105 6.202 461 HA ASN 53 HA ASN 53 7.799 -3.012 3.519 462 1HB ASN 53 1HB ASN 53 9.283 -1.292 4.806 463 2HB ASN 53 2HB ASN 53 10.207 -2.710 5.297 464 1HD2 ASN 53 1HD2 ASN 53 10.882 -4.190 3.368 465 2HD2 ASN 53 2HD2 ASN 53 11.327 -3.406 1.929 466 H ASP 54 H ASP 54 7.748 -4.723 6.428 467 HA ASP 54 HA ASP 54 9.524 -6.858 5.657 468 1HB ASP 54 1HB ASP 54 8.777 -6.165 8.045 469 2HB ASP 54 2HB ASP 54 7.341 -7.129 7.709 470 H ASN 55 H ASN 55 6.144 -6.087 5.285 471 HA ASN 55 HA ASN 55 5.784 -8.150 3.317 472 1HB ASN 55 1HB ASN 55 5.555 -9.331 5.586 473 2HB ASN 55 2HB ASN 55 4.060 -8.415 5.777 474 1HD2 ASN 55 1HD2 ASN 55 3.885 -11.208 5.628 475 2HD2 ASN 55 2HD2 ASN 55 3.201 -11.658 4.141 476 H SER 56 H SER 56 5.521 -5.521 2.921 477 HA SER 56 HA SER 56 2.810 -4.612 3.375 478 1HB SER 56 1HB SER 56 3.686 -2.793 1.674 479 2HB SER 56 2HB SER 56 4.263 -2.809 3.336 480 HG SER 56 HG SER 56 6.169 -3.111 2.532 481 H GLU 57 H GLU 57 4.358 -4.284 0.251 482 HA GLU 57 HA GLU 57 3.760 -4.968 -1.865 483 1HB GLU 57 1HB GLU 57 1.934 -6.988 -0.554 484 2HB GLU 57 2HB GLU 57 2.595 -7.032 -2.185 485 1HG GLU 57 1HG GLU 57 4.881 -7.194 -1.244 486 2HG GLU 57 2HG GLU 57 4.201 -7.206 0.381 487 H ILE 58 H ILE 58 2.589 -2.725 -0.953 488 HA ILE 58 HA ILE 58 -0.248 -2.744 -0.974 489 HB ILE 58 HB ILE 58 1.610 -0.463 -1.673 490 1HG1 ILE 58 1HG1 ILE 58 2.292 -1.379 0.464 491 2HG1 ILE 58 2HG1 ILE 58 1.390 0.106 0.766 492 1HG2 ILE 58 1HG2 ILE 58 -1.276 -0.657 -0.838 493 2HG2 ILE 58 2HG2 ILE 58 -0.577 0.211 -2.205 494 3HG2 ILE 58 3HG2 ILE 58 -0.344 0.815 -0.566 495 1HD1 ILE 58 1HD1 ILE 58 -0.679 -1.494 0.947 496 2HD1 ILE 58 2HD1 ILE 58 0.435 -1.375 2.308 497 3HD1 ILE 58 3HD1 ILE 58 0.537 -2.746 1.205 498 H ILE 59 H ILE 59 1.887 -3.386 -3.453 499 HA ILE 59 HA ILE 59 0.429 -2.079 -5.592 500 HB ILE 59 HB ILE 59 2.794 -2.453 -5.920 501 1HG1 ILE 59 1HG1 ILE 59 1.451 -4.570 -7.609 502 2HG1 ILE 59 2HG1 ILE 59 1.106 -2.855 -7.840 503 1HG2 ILE 59 1HG2 ILE 59 2.147 -5.378 -5.442 504 2HG2 ILE 59 2HG2 ILE 59 3.091 -4.331 -4.382 505 3HG2 ILE 59 3HG2 ILE 59 3.714 -4.766 -5.974 506 1HD1 ILE 59 1HD1 ILE 59 3.934 -3.918 -7.802 507 2HD1 ILE 59 2HD1 ILE 59 3.357 -2.369 -8.420 508 3HD1 ILE 59 3HD1 ILE 59 2.981 -3.859 -9.285 509 H HIS 60 H HIS 60 -0.100 -4.692 -3.641 510 HA HIS 60 HA HIS 60 -1.307 -6.593 -5.462 511 1HB HIS 60 1HB HIS 60 -0.972 -6.263 -2.531 512 2HB HIS 60 2HB HIS 60 -2.364 -7.199 -3.063 513 HD1 HIS 60 HD1 HIS 60 0.809 -7.915 -1.944 514 HD2 HIS 60 HD2 HIS 60 -1.149 -8.949 -5.477 515 HE1 HIS 60 HE1 HIS 60 2.008 -9.951 -2.861 516 HE2 HIS 60 HE2 HIS 60 0.826 -10.592 -5.014 517 H LEU 61 H LEU 61 -2.347 -3.592 -4.131 518 HA LEU 61 HA LEU 61 -5.092 -4.210 -5.048 519 1HB LEU 61 1HB LEU 61 -4.915 -2.188 -2.922 520 2HB LEU 61 2HB LEU 61 -6.016 -3.555 -3.089 521 HG LEU 61 HG LEU 61 -4.058 -5.049 -2.414 522 1HD1 LEU 61 1HD1 LEU 61 -2.581 -3.276 -0.841 523 2HD1 LEU 61 2HD1 LEU 61 -2.763 -2.421 -2.370 524 3HD1 LEU 61 3HD1 LEU 61 -2.039 -4.027 -2.340 525 1HD2 LEU 61 1HD2 LEU 61 -4.885 -3.016 -0.328 526 2HD2 LEU 61 2HD2 LEU 61 -4.478 -4.713 -0.071 527 3HD2 LEU 61 3HD2 LEU 61 -5.964 -4.282 -0.917 528 H ALA 62 H ALA 62 -2.719 -1.703 -4.291 529 HA ALA 62 HA ALA 62 -3.943 0.497 -5.468 530 1HB ALA 62 1HB ALA 62 -0.979 -0.077 -5.546 531 2HB ALA 62 2HB ALA 62 -1.822 0.447 -4.091 532 3HB ALA 62 3HB ALA 62 -1.772 1.497 -5.503 533 H GLU 63 H GLU 63 -2.417 -2.246 -6.977 534 HA GLU 63 HA GLU 63 -1.768 -1.103 -9.451 535 1HB GLU 63 1HB GLU 63 -1.896 -3.441 -10.324 536 2HB GLU 63 2HB GLU 63 -0.952 -3.305 -8.840 537 1HG GLU 63 1HG GLU 63 -2.738 -4.172 -7.510 538 2HG GLU 63 2HG GLU 63 -3.893 -4.001 -8.825 539 H SER 64 H SER 64 -4.735 -1.114 -8.099 540 HA SER 64 HA SER 64 -6.214 -1.686 -10.571 541 1HB SER 64 1HB SER 64 -8.167 -1.759 -9.251 542 2HB SER 64 2HB SER 64 -6.934 -2.510 -8.243 543 HG SER 64 HG SER 64 -8.236 -0.070 -7.985 544 H LEU 65 H LEU 65 -6.507 0.864 -8.084 545 HA LEU 65 HA LEU 65 -7.861 2.760 -9.432 546 1HB LEU 65 1HB LEU 65 -6.315 2.730 -7.128 547 2HB LEU 65 2HB LEU 65 -5.546 3.972 -8.107 548 HG LEU 65 HG LEU 65 -7.308 4.945 -6.701 549 1HD1 LEU 65 1HD1 LEU 65 -8.217 6.305 -8.355 550 2HD1 LEU 65 2HD1 LEU 65 -8.469 4.963 -9.471 551 3HD1 LEU 65 3HD1 LEU 65 -6.845 5.602 -9.214 552 1HD2 LEU 65 1HD2 LEU 65 -8.669 2.565 -7.244 553 2HD2 LEU 65 2HD2 LEU 65 -9.581 3.782 -8.133 554 3HD2 LEU 65 3HD2 LEU 65 -9.324 3.964 -6.401 555 H TYR 66 H TYR 66 -4.650 1.690 -10.173 556 HA TYR 66 HA TYR 66 -4.461 3.750 -12.300 557 1HB TYR 66 1HB TYR 66 -2.199 2.287 -10.917 558 2HB TYR 66 2HB TYR 66 -2.028 3.502 -12.180 559 HD1 TYR 66 HD1 TYR 66 -1.809 5.763 -11.595 560 HD2 TYR 66 HD2 TYR 66 -3.528 3.012 -8.779 561 HE1 TYR 66 HE1 TYR 66 -1.850 7.550 -9.874 562 HE2 TYR 66 HE2 TYR 66 -3.575 4.803 -7.060 563 HH TYR 66 HH TYR 66 -1.837 7.559 -7.232 564 H GLU 67 H GLU 67 -2.904 2.880 -14.103 565 HA GLU 67 HA GLU 67 -4.186 0.676 -15.324 566 1HB GLU 67 1HB GLU 67 -2.534 0.895 -17.071 567 2HB GLU 67 2HB GLU 67 -2.988 2.514 -16.535 568 1HG GLU 67 1HG GLU 67 -0.988 2.417 -14.960 569 2HG GLU 67 2HG GLU 67 -0.487 0.965 -15.826 570 H GLY 68 H GLY 68 -1.424 0.932 -13.219 571 1HA GLY 68 1HA GLY 68 -1.336 -1.649 -12.336 572 2HA GLY 68 2HA GLY 68 -0.362 -1.683 -13.803 573 H ILE 69 H ILE 69 -0.663 -0.280 -10.589 574 HA ILE 69 HA ILE 69 1.479 1.408 -10.421 575 HB ILE 69 HB ILE 69 0.546 -0.635 -8.397 576 1HG1 ILE 69 1HG1 ILE 69 -0.937 1.335 -9.314 577 2HG1 ILE 69 2HG1 ILE 69 -0.872 1.031 -7.583 578 1HG2 ILE 69 1HG2 ILE 69 2.731 -0.071 -7.682 579 2HG2 ILE 69 2HG2 ILE 69 1.682 1.024 -6.781 580 3HG2 ILE 69 3HG2 ILE 69 2.558 1.608 -8.197 581 1HD1 ILE 69 1HD1 ILE 69 0.498 2.880 -7.170 582 2HD1 ILE 69 2HD1 ILE 69 -0.544 3.479 -8.461 583 3HD1 ILE 69 3HD1 ILE 69 1.093 2.938 -8.828 584 H LYS 70 H LYS 70 3.679 1.242 -10.044 585 HA LYS 70 HA LYS 70 4.931 -1.214 -11.014 586 1HB LYS 70 1HB LYS 70 5.587 1.634 -10.882 587 2HB LYS 70 2HB LYS 70 6.940 0.600 -10.426 588 1HG LYS 70 1HG LYS 70 5.312 0.036 -12.908 589 2HG LYS 70 2HG LYS 70 6.646 1.189 -12.939 590 1HD LYS 70 1HD LYS 70 8.097 -0.651 -11.930 591 2HD LYS 70 2HD LYS 70 6.772 -1.761 -12.274 592 1HE LYS 70 1HE LYS 70 8.208 -1.900 -14.168 593 2HE LYS 70 2HE LYS 70 6.862 -0.882 -14.681 594 1HZ LYS 70 1HZ LYS 70 8.932 0.635 -13.439 595 2HZ LYS 70 2HZ LYS 70 8.212 0.838 -14.965 596 3HZ LYS 70 3HZ LYS 70 9.518 -0.232 -14.773 597 H SER 71 H SER 71 4.954 0.881 -8.136 598 HA SER 71 HA SER 71 5.454 -1.310 -6.378 599 1HB SER 71 1HB SER 71 7.751 0.623 -6.452 600 2HB SER 71 2HB SER 71 7.687 -1.004 -5.779 601 HG SER 71 HG SER 71 8.572 -1.493 -7.633 602 H VAL 72 H VAL 72 5.980 -0.471 -4.114 603 HA VAL 72 HA VAL 72 5.102 2.276 -3.601 604 HB VAL 72 HB VAL 72 3.709 -0.099 -2.341 605 1HG1 VAL 72 1HG1 VAL 72 3.428 2.901 -2.117 606 2HG1 VAL 72 2HG1 VAL 72 3.653 1.724 -0.824 607 3HG1 VAL 72 3HG1 VAL 72 2.112 1.815 -1.674 608 1HG2 VAL 72 1HG2 VAL 72 2.867 1.769 -4.573 609 2HG2 VAL 72 2HG2 VAL 72 1.723 0.780 -3.664 610 3HG2 VAL 72 3HG2 VAL 72 2.981 0.010 -4.631 611 H ASN 73 H ASN 73 5.818 3.086 -1.637 612 HA ASN 73 HA ASN 73 7.000 1.403 0.387 613 1HB ASN 73 1HB ASN 73 8.700 1.481 -1.539 614 2HB ASN 73 2HB ASN 73 8.928 3.172 -1.100 615 1HD2 ASN 73 1HD2 ASN 73 9.318 3.469 1.417 616 2HD2 ASN 73 2HD2 ASN 73 10.357 2.333 2.132 617 H PHE 74 H PHE 74 7.726 2.516 2.203 618 HA PHE 74 HA PHE 74 7.064 5.396 2.334 619 1HB PHE 74 1HB PHE 74 6.543 4.011 4.841 620 2HB PHE 74 2HB PHE 74 5.480 5.064 3.909 621 HD1 PHE 74 HD1 PHE 74 6.973 1.624 3.646 622 HD2 PHE 74 HD2 PHE 74 3.515 4.113 3.092 623 HE1 PHE 74 HE1 PHE 74 5.665 -0.353 2.919 624 HE2 PHE 74 HE2 PHE 74 2.209 2.136 2.364 625 HZ PHE 74 HZ PHE 74 3.284 -0.097 2.278 626 H VAL 75 H VAL 75 8.372 6.608 3.732 627 HA VAL 75 HA VAL 75 10.442 5.211 5.266 628 HB VAL 75 HB VAL 75 12.268 6.455 4.210 629 1HG1 VAL 75 1HG1 VAL 75 10.639 5.062 2.074 630 2HG1 VAL 75 2HG1 VAL 75 11.487 4.193 3.353 631 3HG1 VAL 75 3HG1 VAL 75 12.394 5.164 2.195 632 1HG2 VAL 75 1HG2 VAL 75 11.693 7.575 1.971 633 2HG2 VAL 75 2HG2 VAL 75 11.195 8.439 3.426 634 3HG2 VAL 75 3HG2 VAL 75 10.011 7.518 2.499 635 H ASN 76 H ASN 76 12.090 7.471 5.681 636 HA ASN 76 HA ASN 76 10.301 9.057 7.397 637 1HB ASN 76 1HB ASN 76 12.736 9.847 8.190 638 2HB ASN 76 2HB ASN 76 11.970 8.387 8.807 639 1HD2 ASN 76 1HD2 ASN 76 14.729 9.581 7.139 640 2HD2 ASN 76 2HD2 ASN 76 15.368 8.082 6.665 641 H GLU 77 H GLU 77 10.824 11.351 7.677 642 HA GLU 77 HA GLU 77 10.382 12.919 5.550 643 1HB GLU 77 1HB GLU 77 10.638 13.621 7.983 644 2HB GLU 77 2HB GLU 77 12.364 13.777 7.655 645 1HG GLU 77 1HG GLU 77 11.929 15.402 5.893 646 2HG GLU 77 2HG GLU 77 10.190 15.183 6.079 647 H GLN 78 H GLN 78 13.738 12.771 6.783 648 HA GLN 78 HA GLN 78 14.978 13.899 4.608 649 1HB GLN 78 1HB GLN 78 15.932 11.787 6.540 650 2HB GLN 78 2HB GLN 78 16.989 12.491 5.315 651 1HG GLN 78 1HG GLN 78 16.502 14.749 6.204 652 2HG GLN 78 2HG GLN 78 15.478 14.030 7.447 653 1HE2 GLN 78 1HE2 GLN 78 18.833 13.559 6.173 654 2HE2 GLN 78 2HE2 GLN 78 19.535 13.369 7.708 655 H ASP 79 H ASP 79 14.480 10.410 5.157 656 HA ASP 79 HA ASP 79 15.628 9.440 2.834 657 1HB ASP 79 1HB ASP 79 13.290 8.493 4.469 658 2HB ASP 79 2HB ASP 79 13.786 7.629 3.014 659 H PHE 80 H PHE 80 12.120 10.077 3.234 660 HA PHE 80 HA PHE 80 11.259 9.757 0.669 661 1HB PHE 80 1HB PHE 80 9.533 10.331 2.095 662 2HB PHE 80 2HB PHE 80 10.462 11.610 2.876 663 HD1 PHE 80 HD1 PHE 80 8.997 10.729 -0.467 664 HD2 PHE 80 HD2 PHE 80 10.001 13.837 2.323 665 HE1 PHE 80 HE1 PHE 80 7.931 12.405 -1.950 666 HE2 PHE 80 HE2 PHE 80 8.934 15.513 0.840 667 HZ PHE 80 HZ PHE 80 7.899 14.797 -1.297 668 H PHE 81 H PHE 81 12.855 12.627 2.018 669 HA PHE 81 HA PHE 81 12.701 14.278 -0.243 670 1HB PHE 81 1HB PHE 81 13.611 14.664 2.237 671 2HB PHE 81 2HB PHE 81 15.160 14.399 1.435 672 HD1 PHE 81 HD1 PHE 81 16.186 16.178 0.294 673 HD2 PHE 81 HD2 PHE 81 11.956 16.303 1.034 674 HE1 PHE 81 HE1 PHE 81 16.087 18.470 -0.649 675 HE2 PHE 81 HE2 PHE 81 11.857 18.594 0.094 676 HZ PHE 81 HZ PHE 81 13.924 19.680 -0.746 677 H PHE 82 H PHE 82 15.645 12.588 0.868 678 HA PHE 82 HA PHE 82 17.360 12.797 -1.132 679 1HB PHE 82 1HB PHE 82 17.492 11.216 0.870 680 2HB PHE 82 2HB PHE 82 16.679 10.027 -0.149 681 HD1 PHE 82 HD1 PHE 82 19.689 12.208 0.096 682 HD2 PHE 82 HD2 PHE 82 17.858 8.841 -1.843 683 HE1 PHE 82 HE1 PHE 82 21.854 11.648 -0.975 684 HE2 PHE 82 HE2 PHE 82 20.024 8.281 -2.915 685 HZ PHE 82 HZ PHE 82 22.022 9.684 -2.482 686 H ASN 83 H ASN 83 14.439 10.806 -1.326 687 HA ASN 83 HA ASN 83 15.031 9.787 -3.947 688 1HB ASN 83 1HB ASN 83 13.555 8.515 -2.527 689 2HB ASN 83 2HB ASN 83 12.473 9.893 -2.334 690 1HD2 ASN 83 1HD2 ASN 83 13.141 7.132 -4.283 691 2HD2 ASN 83 2HD2 ASN 83 12.048 7.481 -5.535 692 H LEU 84 H LEU 84 12.831 12.279 -2.678 693 HA LEU 84 HA LEU 84 11.998 13.169 -5.276 694 1HB LEU 84 1HB LEU 84 10.488 13.476 -3.426 695 2HB LEU 84 2HB LEU 84 11.716 14.323 -2.491 696 HG LEU 84 HG LEU 84 11.703 16.173 -4.114 697 1HD1 LEU 84 1HD1 LEU 84 11.181 15.140 -6.189 698 2HD1 LEU 84 2HD1 LEU 84 9.750 16.098 -5.815 699 3HD1 LEU 84 3HD1 LEU 84 9.745 14.357 -5.531 700 1HD2 LEU 84 1HD2 LEU 84 10.023 15.991 -2.184 701 2HD2 LEU 84 2HD2 LEU 84 8.839 15.514 -3.400 702 3HD2 LEU 84 3HD2 LEU 84 9.600 17.103 -3.487 703 H ALA 85 H ALA 85 14.711 13.751 -3.251 704 HA ALA 85 HA ALA 85 15.314 16.325 -4.449 705 1HB ALA 85 1HB ALA 85 17.073 16.490 -2.904 706 2HB ALA 85 2HB ALA 85 17.216 14.740 -2.738 707 3HB ALA 85 3HB ALA 85 15.844 15.585 -2.021 708 H LYS 86 H LYS 86 16.317 12.969 -4.723 709 HA LYS 86 HA LYS 86 18.688 13.115 -6.087 710 1HB LYS 86 1HB LYS 86 17.396 11.033 -5.422 711 2HB LYS 86 2HB LYS 86 16.449 11.255 -6.891 712 1HG LYS 86 1HG LYS 86 18.135 9.823 -7.638 713 2HG LYS 86 2HG LYS 86 18.797 11.399 -8.064 714 1HD LYS 86 1HD LYS 86 20.216 11.417 -6.118 715 2HD LYS 86 2HD LYS 86 19.413 9.996 -5.449 716 1HE LYS 86 1HE LYS 86 20.221 8.639 -7.340 717 2HE LYS 86 2HE LYS 86 21.020 10.057 -8.019 718 1HZ LYS 86 1HZ LYS 86 22.430 8.510 -6.629 719 2HZ LYS 86 2HZ LYS 86 21.584 9.097 -5.278 720 3HZ LYS 86 3HZ LYS 86 22.506 10.157 -6.234 721 H LEU 87 H LEU 87 15.443 13.237 -7.561 722 HA LEU 87 HA LEU 87 16.013 13.429 -10.208 723 1HB LEU 87 1HB LEU 87 14.032 15.131 -8.672 724 2HB LEU 87 2HB LEU 87 14.056 14.968 -10.424 725 HG LEU 87 HG LEU 87 12.399 13.441 -9.528 726 1HD1 LEU 87 1HD1 LEU 87 13.028 11.534 -10.692 727 2HD1 LEU 87 2HD1 LEU 87 14.693 11.598 -10.117 728 3HD1 LEU 87 3HD1 LEU 87 14.145 12.720 -11.364 729 1HD2 LEU 87 1HD2 LEU 87 12.738 11.975 -7.756 730 2HD2 LEU 87 2HD2 LEU 87 13.752 13.327 -7.259 731 3HD2 LEU 87 3HD2 LEU 87 14.481 11.903 -8.006 732 H GLU 88 H GLU 88 18.037 14.363 -10.589 733 HA GLU 88 HA GLU 88 18.476 17.160 -9.900 734 1HB GLU 88 1HB GLU 88 20.122 14.960 -11.098 735 2HB GLU 88 2HB GLU 88 20.611 16.633 -11.377 736 1HG GLU 88 1HG GLU 88 19.999 15.566 -8.614 737 2HG GLU 88 2HG GLU 88 21.614 15.503 -9.314 738 H GLU 89 H GLU 89 19.291 15.655 -12.987 739 HA GLU 89 HA GLU 89 17.328 17.176 -14.466 740 1HB GLU 89 1HB GLU 89 18.899 18.560 -15.695 741 2HB GLU 89 2HB GLU 89 19.076 18.883 -13.971 742 1HG GLU 89 1HG GLU 89 20.945 17.155 -13.963 743 2HG GLU 89 2HG GLU 89 20.864 17.186 -15.723 744 H ASN 90 H ASN 90 20.312 15.273 -14.514 745 HA ASN 90 HA ASN 90 19.459 14.072 -17.083 746 1HB ASN 90 1HB ASN 90 22.195 14.285 -15.807 747 2HB ASN 90 2HB ASN 90 21.854 13.358 -17.267 748 1HD2 ASN 90 1HD2 ASN 90 19.936 15.230 -18.421 749 2HD2 ASN 90 2HD2 ASN 90 20.804 16.615 -18.880 750 H SER 91 H SER 91 18.266 12.311 -16.583 751 HA SER 91 HA SER 91 19.550 10.051 -15.386 752 1HB SER 91 1HB SER 91 17.171 11.076 -13.851 753 2HB SER 91 2HB SER 91 18.306 9.809 -13.395 754 HG SER 91 HG SER 91 18.581 11.985 -12.426 755 H ARG 92 H ARG 92 17.316 11.471 -17.348 756 HA ARG 92 HA ARG 92 15.649 9.030 -17.535 757 1HB ARG 92 1HB ARG 92 14.349 11.040 -17.067 758 2HB ARG 92 2HB ARG 92 15.076 11.860 -18.449 759 1HG ARG 92 1HG ARG 92 14.016 10.400 -20.005 760 2HG ARG 92 2HG ARG 92 13.564 9.259 -18.738 761 1HD ARG 92 1HD ARG 92 11.760 10.919 -19.657 762 2HD ARG 92 2HD ARG 92 11.858 10.631 -17.923 763 HE ARG 92 HE ARG 92 13.508 12.762 -18.276 764 1HH1 ARG 92 1HH1 ARG 92 10.281 12.011 -19.274 765 2HH1 ARG 92 2HH1 ARG 92 9.743 13.658 -19.254 766 1HH2 ARG 92 1HH2 ARG 92 12.812 14.923 -18.249 767 2HH2 ARG 92 2HH2 ARG 92 11.178 15.307 -18.675 768 H ASP 93 H ASP 93 16.532 11.649 -19.785 769 HA ASP 93 HA ASP 93 17.328 11.608 -21.937 770 1HB ASP 93 1HB ASP 93 19.179 10.323 -20.747 771 2HB ASP 93 2HB ASP 93 18.400 8.854 -21.330 772 H THR 94 H THR 94 16.408 11.173 -23.854 773 HA THR 94 HA THR 94 14.597 8.834 -24.017 774 HB THR 94 HB THR 94 13.505 11.117 -23.970 775 HG1 THR 94 HG1 THR 94 12.193 10.593 -25.791 776 1HG2 THR 94 1HG2 THR 94 15.396 12.119 -25.399 777 2HG2 THR 94 2HG2 THR 94 13.746 12.594 -25.807 778 3HG2 THR 94 3HG2 THR 94 14.580 11.380 -26.777 779 H LEU 95 H LEU 95 14.090 8.377 -26.449 780 HA LEU 95 HA LEU 95 16.691 8.155 -27.834 781 1HB LEU 95 1HB LEU 95 14.210 6.537 -28.414 782 2HB LEU 95 2HB LEU 95 15.876 6.182 -28.871 783 HG LEU 95 HG LEU 95 16.193 6.307 -26.191 784 1HD1 LEU 95 1HD1 LEU 95 13.483 5.005 -26.426 785 2HD1 LEU 95 2HD1 LEU 95 13.624 6.727 -26.081 786 3HD1 LEU 95 3HD1 LEU 95 14.325 5.547 -24.975 787 1HD2 LEU 95 1HD2 LEU 95 16.938 4.393 -27.376 788 2HD2 LEU 95 2HD2 LEU 95 15.315 4.006 -27.942 789 3HD2 LEU 95 3HD2 LEU 95 15.739 3.761 -26.249 790 H TYR 96 H TYR 96 13.828 9.870 -27.891 791 HA TYR 96 HA TYR 96 13.422 10.023 -30.730 792 1HB TYR 96 1HB TYR 96 11.897 10.659 -28.557 793 2HB TYR 96 2HB TYR 96 12.448 12.258 -29.046 794 HD1 TYR 96 HD1 TYR 96 11.381 13.369 -30.827 795 HD2 TYR 96 HD2 TYR 96 10.958 9.113 -30.426 796 HE1 TYR 96 HE1 TYR 96 9.727 13.360 -32.674 797 HE2 TYR 96 HE2 TYR 96 9.304 9.104 -32.274 798 HH TYR 96 HH TYR 96 8.353 10.316 -33.893 799 H GLN 97 H GLN 97 13.093 12.974 -30.694 800 HA GLN 97 HA GLN 97 15.947 13.745 -30.894 801 1HB GLN 97 1HB GLN 97 14.533 13.460 -33.064 802 2HB GLN 97 2HB GLN 97 13.784 14.982 -32.580 803 1HG GLN 97 1HG GLN 97 16.769 14.553 -32.904 804 2HG GLN 97 2HG GLN 97 15.729 15.325 -34.099 805 1HE2 GLN 97 1HE2 GLN 97 17.840 16.065 -31.637 806 2HE2 GLN 97 2HE2 GLN 97 17.217 17.579 -31.185 807 H ASN 98 H ASN 98 16.438 15.157 -29.348 808 HA ASN 98 HA ASN 98 14.428 16.732 -28.013 809 1HB ASN 98 1HB ASN 98 17.447 16.717 -27.800 810 2HB ASN 98 2HB ASN 98 16.376 17.651 -26.757 811 1HD2 ASN 98 1HD2 ASN 98 17.990 15.743 -25.526 812 2HD2 ASN 98 2HD2 ASN 98 17.049 14.420 -25.030 813 H SER 99 H SER 99 16.999 18.722 -28.056 814 HA SER 99 HA SER 99 16.598 20.074 -30.569 815 1HB SER 99 1HB SER 99 15.612 21.420 -28.045 816 2HB SER 99 2HB SER 99 15.650 22.124 -29.659 817 HG SER 99 HG SER 99 14.415 19.840 -29.909 818 H GLY 100 H GLY 100 18.248 19.455 -27.696 819 1HA GLY 100 1HA GLY 100 19.982 21.778 -27.755 820 2HA GLY 100 2HA GLY 100 20.140 20.377 -26.699 Start of MODEL 9 1 H MET 1 H MET 1 -8.800 15.446 -5.655 2 HA MET 1 HA MET 1 -11.607 15.156 -6.357 3 1HB MET 1 1HB MET 1 -9.334 13.870 -7.888 4 2HB MET 1 2HB MET 1 -10.962 13.195 -7.847 5 1HG MET 1 1HG MET 1 -11.887 15.230 -8.803 6 2HG MET 1 2HG MET 1 -10.314 16.022 -8.725 7 1HE MET 1 1HE MET 1 -9.936 16.634 -11.201 8 2HE MET 1 2HE MET 1 -8.862 15.474 -11.978 9 3HE MET 1 3HE MET 1 -8.578 15.943 -10.304 10 H GLU 2 H GLU 2 -11.930 12.591 -6.104 11 HA GLU 2 HA GLU 2 -11.018 12.005 -3.413 12 1HB GLU 2 1HB GLU 2 -12.778 10.379 -5.258 13 2HB GLU 2 2HB GLU 2 -12.569 10.135 -3.522 14 1HG GLU 2 1HG GLU 2 -13.411 12.485 -3.173 15 2HG GLU 2 2HG GLU 2 -13.795 12.543 -4.892 16 H GLN 3 H GLN 3 -9.321 11.856 -5.997 17 HA GLN 3 HA GLN 3 -8.526 9.389 -6.776 18 1HB GLN 3 1HB GLN 3 -7.490 11.543 -7.480 19 2HB GLN 3 2HB GLN 3 -6.608 11.573 -5.953 20 1HG GLN 3 1HG GLN 3 -5.473 9.506 -6.495 21 2HG GLN 3 2HG GLN 3 -6.463 9.291 -7.939 22 1HE2 GLN 3 1HE2 GLN 3 -3.403 10.076 -7.187 23 2HE2 GLN 3 2HE2 GLN 3 -3.067 11.228 -8.387 24 H PHE 4 H PHE 4 -6.481 10.901 -4.330 25 HA PHE 4 HA PHE 4 -5.440 8.529 -3.318 26 1HB PHE 4 1HB PHE 4 -4.994 9.840 -1.206 27 2HB PHE 4 2HB PHE 4 -4.429 10.634 -2.677 28 HD1 PHE 4 HD1 PHE 4 -6.721 10.801 0.140 29 HD2 PHE 4 HD2 PHE 4 -5.799 12.470 -3.708 30 HE1 PHE 4 HE1 PHE 4 -8.146 12.766 0.651 31 HE2 PHE 4 HE2 PHE 4 -7.223 14.434 -3.198 32 HZ PHE 4 HZ PHE 4 -8.397 14.582 -1.018 33 H ASN 5 H ASN 5 -8.385 10.230 -2.361 34 HA ASN 5 HA ASN 5 -9.053 8.551 -0.199 35 1HB ASN 5 1HB ASN 5 -10.304 10.654 -1.699 36 2HB ASN 5 2HB ASN 5 -11.453 9.328 -1.538 37 1HD2 ASN 5 1HD2 ASN 5 -10.829 8.317 1.000 38 2HD2 ASN 5 2HD2 ASN 5 -11.091 9.516 2.173 39 H ALA 6 H ALA 6 -9.164 8.104 -3.640 40 HA ALA 6 HA ALA 6 -11.027 5.922 -3.664 41 1HB ALA 6 1HB ALA 6 -10.576 5.776 -5.954 42 2HB ALA 6 2HB ALA 6 -8.922 6.354 -5.765 43 3HB ALA 6 3HB ALA 6 -10.271 7.478 -5.609 44 H PHE 7 H PHE 7 -7.495 6.005 -4.206 45 HA PHE 7 HA PHE 7 -7.165 3.193 -4.058 46 1HB PHE 7 1HB PHE 7 -5.241 3.973 -4.968 47 2HB PHE 7 2HB PHE 7 -5.432 5.559 -4.227 48 HD1 PHE 7 HD1 PHE 7 -3.883 6.184 -2.592 49 HD2 PHE 7 HD2 PHE 7 -4.697 2.015 -3.224 50 HE1 PHE 7 HE1 PHE 7 -2.158 5.593 -0.912 51 HE2 PHE 7 HE2 PHE 7 -2.973 1.424 -1.544 52 HZ PHE 7 HZ PHE 7 -1.702 3.213 -0.388 53 H LYS 8 H LYS 8 -6.880 5.780 -1.669 54 HA LYS 8 HA LYS 8 -5.963 4.277 0.517 55 1HB LYS 8 1HB LYS 8 -6.171 6.800 0.330 56 2HB LYS 8 2HB LYS 8 -7.880 6.591 0.720 57 1HG LYS 8 1HG LYS 8 -7.219 5.352 2.783 58 2HG LYS 8 2HG LYS 8 -5.528 5.689 2.411 59 1HD LYS 8 1HD LYS 8 -7.688 7.765 2.903 60 2HD LYS 8 2HD LYS 8 -6.396 7.335 4.023 61 1HE LYS 8 1HE LYS 8 -4.831 7.924 1.982 62 2HE LYS 8 2HE LYS 8 -6.233 8.844 1.432 63 1HZ LYS 8 1HZ LYS 8 -4.367 9.536 3.401 64 2HZ LYS 8 2HZ LYS 8 -5.876 9.344 4.158 65 3HZ LYS 8 3HZ LYS 8 -5.705 10.428 2.861 66 H SER 9 H SER 9 -9.333 5.165 -0.359 67 HA SER 9 HA SER 9 -10.534 3.808 1.730 68 1HB SER 9 1HB SER 9 -11.788 5.304 0.195 69 2HB SER 9 2HB SER 9 -11.632 4.108 -1.087 70 HG SER 9 HG SER 9 -12.626 3.191 1.330 71 H LEU 10 H LEU 10 -9.073 2.640 -1.191 72 HA LEU 10 HA LEU 10 -10.195 0.051 -1.290 73 1HB LEU 10 1HB LEU 10 -8.494 1.385 -2.892 74 2HB LEU 10 2HB LEU 10 -7.319 0.420 -2.002 75 HG LEU 10 HG LEU 10 -9.685 -0.605 -3.598 76 1HD1 LEU 10 1HD1 LEU 10 -7.632 -1.907 -4.637 77 2HD1 LEU 10 2HD1 LEU 10 -6.698 -0.572 -3.963 78 3HD1 LEU 10 3HD1 LEU 10 -7.969 -0.251 -5.141 79 1HD2 LEU 10 1HD2 LEU 10 -7.811 -1.987 -1.669 80 2HD2 LEU 10 2HD2 LEU 10 -8.643 -2.873 -2.948 81 3HD2 LEU 10 3HD2 LEU 10 -9.573 -2.042 -1.706 82 H LEU 11 H LEU 11 -7.413 1.406 0.456 83 HA LEU 11 HA LEU 11 -6.424 -0.984 1.551 84 1HB LEU 11 1HB LEU 11 -6.320 1.896 2.402 85 2HB LEU 11 2HB LEU 11 -5.761 0.654 3.517 86 HG LEU 11 HG LEU 11 -4.784 0.584 0.678 87 1HD1 LEU 11 1HD1 LEU 11 -2.811 2.011 1.625 88 2HD1 LEU 11 2HD1 LEU 11 -3.994 2.566 2.810 89 3HD1 LEU 11 3HD1 LEU 11 -4.272 2.842 1.091 90 1HD2 LEU 11 1HD2 LEU 11 -2.858 -0.455 1.710 91 2HD2 LEU 11 2HD2 LEU 11 -4.293 -1.204 2.408 92 3HD2 LEU 11 3HD2 LEU 11 -3.401 0.014 3.320 93 H LYS 12 H LYS 12 -8.926 1.256 2.733 94 HA LYS 12 HA LYS 12 -9.552 0.273 5.193 95 1HB LYS 12 1HB LYS 12 -10.848 2.016 3.878 96 2HB LYS 12 2HB LYS 12 -11.680 0.680 3.082 97 1HG LYS 12 1HG LYS 12 -12.554 -0.128 5.178 98 2HG LYS 12 2HG LYS 12 -11.569 1.013 6.091 99 1HD LYS 12 1HD LYS 12 -13.386 2.174 4.028 100 2HD LYS 12 2HD LYS 12 -14.150 1.503 5.468 101 1HE LYS 12 1HE LYS 12 -13.425 4.006 5.500 102 2HE LYS 12 2HE LYS 12 -13.059 3.006 6.905 103 1HZ LYS 12 1HZ LYS 12 -11.197 3.608 4.671 104 2HZ LYS 12 2HZ LYS 12 -10.843 2.631 6.015 105 3HZ LYS 12 3HZ LYS 12 -11.138 4.291 6.223 106 H LYS 13 H LYS 13 -10.818 -1.108 2.164 107 HA LYS 13 HA LYS 13 -12.070 -3.386 3.183 108 1HB LYS 13 1HB LYS 13 -10.729 -2.738 0.577 109 2HB LYS 13 2HB LYS 13 -11.340 -4.357 0.872 110 1HG LYS 13 1HG LYS 13 -13.028 -1.868 1.239 111 2HG LYS 13 2HG LYS 13 -12.959 -2.752 -0.281 112 1HD LYS 13 1HD LYS 13 -13.897 -3.850 2.392 113 2HD LYS 13 2HD LYS 13 -14.904 -3.483 0.999 114 1HE LYS 13 1HE LYS 13 -14.621 -5.736 0.638 115 2HE LYS 13 2HE LYS 13 -13.182 -5.156 -0.199 116 1HZ LYS 13 1HZ LYS 13 -12.410 -5.342 2.407 117 2HZ LYS 13 2HZ LYS 13 -12.057 -6.465 1.181 118 3HZ LYS 13 3HZ LYS 13 -13.397 -6.706 2.197 119 H HIS 14 H HIS 14 -8.708 -2.845 2.278 120 HA HIS 14 HA HIS 14 -7.761 -5.491 2.726 121 1HB HIS 14 1HB HIS 14 -6.662 -3.537 1.447 122 2HB HIS 14 2HB HIS 14 -6.076 -3.022 3.027 123 HD1 HIS 14 HD1 HIS 14 -6.252 -6.358 1.161 124 HD2 HIS 14 HD2 HIS 14 -3.620 -4.161 3.532 125 HE1 HIS 14 HE1 HIS 14 -4.134 -7.735 1.344 126 HE2 HIS 14 HE2 HIS 14 -2.520 -6.409 2.788 127 H TYR 15 H TYR 15 -6.983 -2.581 4.625 128 HA TYR 15 HA TYR 15 -6.196 -4.106 6.906 129 1HB TYR 15 1HB TYR 15 -6.259 -1.271 6.082 130 2HB TYR 15 2HB TYR 15 -6.458 -1.530 7.813 131 HD1 TYR 15 HD1 TYR 15 -4.829 -3.484 8.751 132 HD2 TYR 15 HD2 TYR 15 -4.062 -1.004 5.330 133 HE1 TYR 15 HE1 TYR 15 -2.399 -3.912 8.992 134 HE2 TYR 15 HE2 TYR 15 -1.631 -1.432 5.569 135 HH TYR 15 HH TYR 15 -0.232 -2.632 8.295 136 H GLU 16 H GLU 16 -9.103 -4.202 5.886 137 HA GLU 16 HA GLU 16 -10.803 -2.965 7.728 138 1HB GLU 16 1HB GLU 16 -12.450 -4.646 7.092 139 2HB GLU 16 2HB GLU 16 -11.566 -4.105 5.666 140 1HG GLU 16 1HG GLU 16 -11.377 -6.369 5.316 141 2HG GLU 16 2HG GLU 16 -9.982 -6.168 6.374 142 H LYS 17 H LYS 17 -8.654 -5.644 8.092 143 HA LYS 17 HA LYS 17 -9.933 -6.622 10.525 144 1HB LYS 17 1HB LYS 17 -7.615 -7.468 8.828 145 2HB LYS 17 2HB LYS 17 -7.656 -7.991 10.511 146 1HG LYS 17 1HG LYS 17 -9.914 -8.933 10.166 147 2HG LYS 17 2HG LYS 17 -9.866 -8.424 8.479 148 1HD LYS 17 1HD LYS 17 -7.642 -10.137 9.551 149 2HD LYS 17 2HD LYS 17 -9.180 -10.889 9.128 150 1HE LYS 17 1HE LYS 17 -9.034 -9.889 6.863 151 2HE LYS 17 2HE LYS 17 -7.470 -9.189 7.286 152 1HZ LYS 17 1HZ LYS 17 -6.527 -11.323 7.527 153 2HZ LYS 17 2HZ LYS 17 -7.392 -11.358 6.065 154 3HZ LYS 17 3HZ LYS 17 -8.036 -12.092 7.455 155 H THR 18 H THR 18 -6.595 -5.588 9.784 156 HA THR 18 HA THR 18 -6.142 -4.847 12.538 157 HB THR 18 HB THR 18 -4.047 -3.859 10.888 158 HG1 THR 18 HG1 THR 18 -5.143 -6.335 10.080 159 1HG2 THR 18 1HG2 THR 18 -3.777 -4.879 13.103 160 2HG2 THR 18 2HG2 THR 18 -2.793 -5.729 11.912 161 3HG2 THR 18 3HG2 THR 18 -4.313 -6.433 12.465 162 H ILE 19 H ILE 19 -8.285 -3.400 11.394 163 HA ILE 19 HA ILE 19 -7.876 -0.956 10.278 164 HB ILE 19 HB ILE 19 -10.095 -1.690 10.930 165 1HG1 ILE 19 1HG1 ILE 19 -9.480 0.807 12.524 166 2HG1 ILE 19 2HG1 ILE 19 -9.486 0.793 10.761 167 1HG2 ILE 19 1HG2 ILE 19 -9.065 -2.553 13.244 168 2HG2 ILE 19 2HG2 ILE 19 -10.769 -2.128 13.099 169 3HG2 ILE 19 3HG2 ILE 19 -9.631 -0.978 13.800 170 1HD1 ILE 19 1HD1 ILE 19 -11.682 1.451 11.975 171 2HD1 ILE 19 2HD1 ILE 19 -11.836 -0.271 12.324 172 3HD1 ILE 19 3HD1 ILE 19 -11.787 0.290 10.652 173 H GLY 20 H GLY 20 -7.918 -1.330 13.845 174 1HA GLY 20 1HA GLY 20 -7.117 0.971 14.828 175 2HA GLY 20 2HA GLY 20 -6.314 -0.501 15.362 176 H PHE 21 H PHE 21 -4.668 -1.247 13.443 177 HA PHE 21 HA PHE 21 -2.412 0.281 13.600 178 1HB PHE 21 1HB PHE 21 -2.489 -1.975 12.585 179 2HB PHE 21 2HB PHE 21 -3.276 -1.296 11.161 180 HD1 PHE 21 HD1 PHE 21 -1.943 -0.622 9.363 181 HD2 PHE 21 HD2 PHE 21 -0.245 -0.754 13.307 182 HE1 PHE 21 HE1 PHE 21 0.275 -0.024 8.430 183 HE2 PHE 21 HE2 PHE 21 1.973 -0.155 12.372 184 HZ PHE 21 HZ PHE 21 2.231 0.207 9.932 185 H HIS 22 H HIS 22 -4.903 0.487 11.074 186 HA HIS 22 HA HIS 22 -3.724 2.644 9.655 187 1HB HIS 22 1HB HIS 22 -5.618 1.055 8.883 188 2HB HIS 22 2HB HIS 22 -6.694 2.100 9.807 189 HD1 HIS 22 HD1 HIS 22 -5.981 4.854 9.189 190 HD2 HIS 22 HD2 HIS 22 -5.634 1.901 6.266 191 HE1 HIS 22 HE1 HIS 22 -6.004 6.049 6.956 192 HE2 HIS 22 HE2 HIS 22 -5.788 4.263 5.165 193 H ASP 23 H ASP 23 -6.239 2.653 12.206 194 HA ASP 23 HA ASP 23 -6.459 5.494 12.212 195 1HB ASP 23 1HB ASP 23 -8.037 3.711 13.265 196 2HB ASP 23 2HB ASP 23 -6.937 3.777 14.640 197 H LYS 24 H LYS 24 -3.872 3.655 12.779 198 HA LYS 24 HA LYS 24 -2.782 5.195 15.040 199 1HB LYS 24 1HB LYS 24 -2.627 2.519 14.400 200 2HB LYS 24 2HB LYS 24 -1.085 3.137 13.812 201 1HG LYS 24 1HG LYS 24 -0.637 2.593 16.063 202 2HG LYS 24 2HG LYS 24 -0.920 4.332 16.109 203 1HD LYS 24 1HD LYS 24 -2.290 3.640 17.854 204 2HD LYS 24 2HD LYS 24 -3.436 3.589 16.516 205 1HE LYS 24 1HE LYS 24 -2.599 1.120 16.234 206 2HE LYS 24 2HE LYS 24 -2.041 1.309 17.896 207 1HZ LYS 24 1HZ LYS 24 -4.757 1.222 16.846 208 2HZ LYS 24 2HZ LYS 24 -4.473 2.291 18.135 209 3HZ LYS 24 3HZ LYS 24 -4.141 0.635 18.314 210 H TYR 25 H TYR 25 -1.656 4.217 11.757 211 HA TYR 25 HA TYR 25 -0.186 6.788 11.722 212 1HB TYR 25 1HB TYR 25 0.818 4.207 10.509 213 2HB TYR 25 2HB TYR 25 1.688 5.736 10.644 214 HD1 TYR 25 HD1 TYR 25 1.132 2.589 12.172 215 HD2 TYR 25 HD2 TYR 25 1.869 6.721 13.092 216 HE1 TYR 25 HE1 TYR 25 1.936 1.944 14.428 217 HE2 TYR 25 HE2 TYR 25 2.675 6.075 15.346 218 HH TYR 25 HH TYR 25 2.910 2.655 16.303 219 H ILE 26 H ILE 26 -1.057 4.147 9.459 220 HA ILE 26 HA ILE 26 -0.944 5.408 7.077 221 HB ILE 26 HB ILE 26 -3.415 3.838 7.781 222 1HG1 ILE 26 1HG1 ILE 26 -1.603 2.588 8.776 223 2HG1 ILE 26 2HG1 ILE 26 -1.993 1.810 7.243 224 1HG2 ILE 26 1HG2 ILE 26 -3.229 4.782 5.507 225 2HG2 ILE 26 2HG2 ILE 26 -3.133 3.021 5.475 226 3HG2 ILE 26 3HG2 ILE 26 -1.666 3.988 5.309 227 1HD1 ILE 26 1HD1 ILE 26 0.350 1.954 7.178 228 2HD1 ILE 26 2HD1 ILE 26 0.366 3.553 7.924 229 3HD1 ILE 26 3HD1 ILE 26 -0.154 3.365 6.249 230 H LYS 27 H LYS 27 -3.095 6.213 9.660 231 HA LYS 27 HA LYS 27 -4.904 7.780 8.023 232 1HB LYS 27 1HB LYS 27 -5.593 6.624 10.150 233 2HB LYS 27 2HB LYS 27 -4.609 7.792 11.033 234 1HG LYS 27 1HG LYS 27 -5.940 9.619 9.853 235 2HG LYS 27 2HG LYS 27 -7.036 8.346 9.313 236 1HD LYS 27 1HD LYS 27 -7.487 7.713 11.638 237 2HD LYS 27 2HD LYS 27 -6.341 8.928 12.208 238 1HE LYS 27 1HE LYS 27 -8.926 9.431 10.709 239 2HE LYS 27 2HE LYS 27 -8.574 9.857 12.383 240 1HZ LYS 27 1HZ LYS 27 -6.801 11.314 11.578 241 2HZ LYS 27 2HZ LYS 27 -8.317 11.771 10.963 242 3HZ LYS 27 3HZ LYS 27 -7.213 10.940 9.976 243 H ASP 28 H ASP 28 -2.609 8.557 10.650 244 HA ASP 28 HA ASP 28 -2.659 11.363 10.106 245 1HB ASP 28 1HB ASP 28 -2.123 10.507 12.333 246 2HB ASP 28 2HB ASP 28 -0.689 9.704 11.695 247 H ILE 29 H ILE 29 -2.161 11.602 7.906 248 HA ILE 29 HA ILE 29 0.670 11.728 7.346 249 HB ILE 29 HB ILE 29 -0.290 9.324 6.768 250 1HG1 ILE 29 1HG1 ILE 29 1.262 9.405 4.672 251 2HG1 ILE 29 2HG1 ILE 29 1.549 11.080 5.140 252 1HG2 ILE 29 1HG2 ILE 29 -2.135 10.482 5.375 253 2HG2 ILE 29 2HG2 ILE 29 -1.295 9.118 4.638 254 3HG2 ILE 29 3HG2 ILE 29 -0.869 10.768 4.181 255 1HD1 ILE 29 1HD1 ILE 29 3.182 10.217 6.463 256 2HD1 ILE 29 2HD1 ILE 29 2.505 8.591 6.395 257 3HD1 ILE 29 3HD1 ILE 29 1.863 9.765 7.542 258 H ASN 30 H ASN 30 1.092 12.809 5.256 259 HA ASN 30 HA ASN 30 -1.085 14.011 3.822 260 1HB ASN 30 1HB ASN 30 -0.945 15.305 6.025 261 2HB ASN 30 2HB ASN 30 0.594 15.926 5.433 262 1HD2 ASN 30 1HD2 ASN 30 -2.828 16.329 5.264 263 2HD2 ASN 30 2HD2 ASN 30 -2.848 17.479 4.015 264 H ARG 31 H ARG 31 1.680 12.634 3.589 265 HA ARG 31 HA ARG 31 2.616 14.393 1.422 266 1HB ARG 31 1HB ARG 31 3.977 14.659 3.598 267 2HB ARG 31 2HB ARG 31 4.590 13.046 3.247 268 1HG ARG 31 1HG ARG 31 6.176 14.344 2.151 269 2HG ARG 31 2HG ARG 31 5.026 14.068 0.843 270 1HD ARG 31 1HD ARG 31 3.890 16.256 1.710 271 2HD ARG 31 2HD ARG 31 5.432 16.543 2.509 272 HE ARG 31 HE ARG 31 6.038 15.927 -0.131 273 1HH1 ARG 31 1HH1 ARG 31 4.196 18.277 1.618 274 2HH1 ARG 31 2HH1 ARG 31 4.440 19.537 0.455 275 1HH2 ARG 31 1HH2 ARG 31 6.360 17.573 -1.662 276 2HH2 ARG 31 2HH2 ARG 31 5.666 19.138 -1.401 277 H PHE 32 H PHE 32 2.284 13.237 -0.305 278 HA PHE 32 HA PHE 32 3.638 10.693 -0.694 279 1HB PHE 32 1HB PHE 32 1.587 9.523 -1.423 280 2HB PHE 32 2HB PHE 32 1.504 9.951 0.287 281 HD1 PHE 32 HD1 PHE 32 -0.173 10.136 -2.838 282 HD2 PHE 32 HD2 PHE 32 0.418 12.286 0.834 283 HE1 PHE 32 HE1 PHE 32 -2.247 11.428 -3.260 284 HE2 PHE 32 HE2 PHE 32 -1.654 13.579 0.411 285 HZ PHE 32 HZ PHE 32 -2.988 13.151 -1.636 286 H VAL 33 H VAL 33 4.203 10.458 -2.843 287 HA VAL 33 HA VAL 33 2.823 12.134 -4.822 288 HB VAL 33 HB VAL 33 4.984 13.010 -5.664 289 1HG1 VAL 33 1HG1 VAL 33 4.563 13.649 -2.733 290 2HG1 VAL 33 2HG1 VAL 33 3.509 14.244 -4.017 291 3HG1 VAL 33 3HG1 VAL 33 5.207 14.717 -3.980 292 1HG2 VAL 33 1HG2 VAL 33 6.471 11.281 -4.781 293 2HG2 VAL 33 2HG2 VAL 33 6.040 11.719 -3.129 294 3HG2 VAL 33 3HG2 VAL 33 6.950 12.849 -4.132 295 H PHE 34 H PHE 34 3.171 11.570 -6.975 296 HA PHE 34 HA PHE 34 4.631 9.076 -7.538 297 1HB PHE 34 1HB PHE 34 2.512 8.700 -9.150 298 2HB PHE 34 2HB PHE 34 2.568 8.062 -7.513 299 HD1 PHE 34 HD1 PHE 34 1.642 9.565 -5.611 300 HD2 PHE 34 HD2 PHE 34 0.807 10.187 -9.778 301 HE1 PHE 34 HE1 PHE 34 -0.341 10.929 -5.012 302 HE2 PHE 34 HE2 PHE 34 -1.175 11.551 -9.178 303 HZ PHE 34 HZ PHE 34 -1.748 11.922 -6.794 304 H LYS 35 H LYS 35 5.462 8.966 -9.642 305 HA LYS 35 HA LYS 35 4.764 10.727 -11.743 306 1HB LYS 35 1HB LYS 35 6.827 12.146 -11.714 307 2HB LYS 35 2HB LYS 35 5.708 12.491 -10.398 308 1HG LYS 35 1HG LYS 35 7.353 10.473 -9.363 309 2HG LYS 35 2HG LYS 35 8.461 11.494 -10.276 310 1HD LYS 35 1HD LYS 35 7.780 13.456 -9.043 311 2HD LYS 35 2HD LYS 35 6.472 12.571 -8.257 312 1HE LYS 35 1HE LYS 35 7.999 11.232 -7.002 313 2HE LYS 35 2HE LYS 35 9.372 11.762 -7.973 314 1HZ LYS 35 1HZ LYS 35 9.559 13.079 -6.119 315 2HZ LYS 35 2HZ LYS 35 7.879 13.230 -5.908 316 3HZ LYS 35 3HZ LYS 35 8.664 14.094 -7.143 317 H ASN 36 H ASN 36 6.893 8.469 -10.242 318 HA ASN 36 HA ASN 36 8.065 7.796 -12.880 319 1HB ASN 36 1HB ASN 36 9.241 7.657 -10.105 320 2HB ASN 36 2HB ASN 36 9.921 6.754 -11.459 321 1HD2 ASN 36 1HD2 ASN 36 9.931 9.804 -9.894 322 2HD2 ASN 36 2HD2 ASN 36 10.742 10.675 -11.103 323 H ASN 37 H ASN 37 5.577 6.810 -12.189 324 HA ASN 37 HA ASN 37 4.391 4.853 -12.023 325 1HB ASN 37 1HB ASN 37 7.039 3.490 -12.542 326 2HB ASN 37 2HB ASN 37 5.425 2.860 -12.871 327 1HD2 ASN 37 1HD2 ASN 37 4.633 3.229 -14.956 328 2HD2 ASN 37 2HD2 ASN 37 5.270 4.368 -16.041 329 H VAL 38 H VAL 38 6.531 5.845 -9.814 330 HA VAL 38 HA VAL 38 6.033 3.544 -8.013 331 HB VAL 38 HB VAL 38 8.379 5.454 -8.104 332 1HG1 VAL 38 1HG1 VAL 38 9.179 3.972 -6.170 333 2HG1 VAL 38 2HG1 VAL 38 7.505 3.436 -6.028 334 3HG1 VAL 38 3HG1 VAL 38 7.910 5.136 -5.788 335 1HG2 VAL 38 1HG2 VAL 38 9.589 3.191 -8.249 336 2HG2 VAL 38 2HG2 VAL 38 8.694 3.692 -9.681 337 3HG2 VAL 38 3HG2 VAL 38 8.008 2.490 -8.589 338 H LEU 39 H LEU 39 5.644 4.081 -5.781 339 HA LEU 39 HA LEU 39 4.660 6.846 -5.376 340 1HB LEU 39 1HB LEU 39 3.305 4.233 -4.977 341 2HB LEU 39 2HB LEU 39 3.085 5.414 -3.688 342 HG LEU 39 HG LEU 39 2.499 7.089 -5.557 343 1HD1 LEU 39 1HD1 LEU 39 3.264 5.895 -7.500 344 2HD1 LEU 39 2HD1 LEU 39 1.504 5.904 -7.580 345 3HD1 LEU 39 3HD1 LEU 39 2.356 4.455 -7.049 346 1HD2 LEU 39 1HD2 LEU 39 0.161 6.249 -5.668 347 2HD2 LEU 39 2HD2 LEU 39 0.821 6.174 -4.034 348 3HD2 LEU 39 3HD2 LEU 39 0.707 4.707 -5.007 349 H LEU 40 H LEU 40 5.650 7.871 -3.764 350 HA LEU 40 HA LEU 40 6.884 6.244 -1.623 351 1HB LEU 40 1HB LEU 40 8.127 7.993 -3.380 352 2HB LEU 40 2HB LEU 40 7.854 9.015 -1.974 353 HG LEU 40 HG LEU 40 9.044 6.271 -1.601 354 1HD1 LEU 40 1HD1 LEU 40 10.570 8.781 -2.362 355 2HD1 LEU 40 2HD1 LEU 40 10.386 7.350 -3.376 356 3HD1 LEU 40 3HD1 LEU 40 11.292 7.250 -1.866 357 1HD2 LEU 40 1HD2 LEU 40 8.285 7.869 0.280 358 2HD2 LEU 40 2HD2 LEU 40 9.661 8.869 -0.182 359 3HD2 LEU 40 3HD2 LEU 40 9.920 7.224 0.391 360 H ILE 41 H ILE 41 6.499 6.827 0.485 361 HA ILE 41 HA ILE 41 4.813 9.197 0.991 362 HB ILE 41 HB ILE 41 4.162 6.449 2.072 363 1HG1 ILE 41 1HG1 ILE 41 2.847 8.039 -0.155 364 2HG1 ILE 41 2HG1 ILE 41 3.773 6.554 -0.363 365 1HG2 ILE 41 1HG2 ILE 41 2.634 9.069 2.099 366 2HG2 ILE 41 2HG2 ILE 41 3.499 8.388 3.476 367 3HG2 ILE 41 3HG2 ILE 41 2.097 7.549 2.814 368 1HD1 ILE 41 1HD1 ILE 41 1.482 5.886 -0.337 369 2HD1 ILE 41 2HD1 ILE 41 1.131 6.899 1.063 370 3HD1 ILE 41 3HD1 ILE 41 2.126 5.455 1.248 371 H LEU 42 H LEU 42 5.291 10.234 2.834 372 HA LEU 42 HA LEU 42 7.642 9.608 4.274 373 1HB LEU 42 1HB LEU 42 5.386 11.551 4.711 374 2HB LEU 42 2HB LEU 42 6.698 11.402 5.873 375 HG LEU 42 HG LEU 42 6.988 13.199 4.075 376 1HD1 LEU 42 1HD1 LEU 42 9.316 12.910 4.048 377 2HD1 LEU 42 2HD1 LEU 42 9.198 11.155 3.956 378 3HD1 LEU 42 3HD1 LEU 42 8.822 11.985 5.466 379 1HD2 LEU 42 1HD2 LEU 42 7.673 10.823 2.323 380 2HD2 LEU 42 2HD2 LEU 42 7.611 12.522 1.861 381 3HD2 LEU 42 3HD2 LEU 42 6.123 11.658 2.236 382 H LEU 43 H LEU 43 8.003 8.572 6.149 383 HA LEU 43 HA LEU 43 5.876 7.928 7.993 384 1HB LEU 43 1HB LEU 43 5.528 6.155 6.360 385 2HB LEU 43 2HB LEU 43 7.236 5.724 6.424 386 HG LEU 43 HG LEU 43 6.865 5.352 8.953 387 1HD1 LEU 43 1HD1 LEU 43 4.440 4.661 9.407 388 2HD1 LEU 43 2HD1 LEU 43 4.020 5.549 7.942 389 3HD1 LEU 43 3HD1 LEU 43 4.750 6.394 9.308 390 1HD2 LEU 43 1HD2 LEU 43 7.181 3.534 7.314 391 2HD2 LEU 43 2HD2 LEU 43 5.456 3.557 6.957 392 3HD2 LEU 43 3HD2 LEU 43 6.019 3.076 8.557 393 H GLU 44 H GLU 44 7.046 8.846 9.630 394 HA GLU 44 HA GLU 44 9.843 8.170 10.035 395 1HB GLU 44 1HB GLU 44 7.939 9.777 11.758 396 2HB GLU 44 2HB GLU 44 9.687 9.669 11.970 397 1HG GLU 44 1HG GLU 44 9.986 10.599 9.675 398 2HG GLU 44 2HG GLU 44 8.238 10.798 9.558 399 H ASN 45 H ASN 45 6.716 7.212 11.258 400 HA ASN 45 HA ASN 45 7.209 6.107 13.702 401 1HB ASN 45 1HB ASN 45 5.583 4.965 11.425 402 2HB ASN 45 2HB ASN 45 5.542 4.328 13.068 403 1HD2 ASN 45 1HD2 ASN 45 5.237 6.292 14.775 404 2HD2 ASN 45 2HD2 ASN 45 4.000 7.379 14.363 405 H GLU 46 H GLU 46 8.889 4.944 14.357 406 HA GLU 46 HA GLU 46 10.548 3.396 12.666 407 1HB GLU 46 1HB GLU 46 11.410 4.313 14.734 408 2HB GLU 46 2HB GLU 46 10.235 3.393 15.675 409 1HG GLU 46 1HG GLU 46 11.261 1.316 15.117 410 2HG GLU 46 2HG GLU 46 12.225 2.052 13.837 411 H PHE 47 H PHE 47 8.047 2.435 15.025 412 HA PHE 47 HA PHE 47 8.298 -0.346 14.659 413 1HB PHE 47 1HB PHE 47 6.094 1.447 15.645 414 2HB PHE 47 2HB PHE 47 5.797 -0.277 15.422 415 HD1 PHE 47 HD1 PHE 47 6.505 -1.838 17.041 416 HD2 PHE 47 HD2 PHE 47 8.120 2.143 17.078 417 HE1 PHE 47 HE1 PHE 47 7.624 -2.312 19.203 418 HE2 PHE 47 HE2 PHE 47 9.240 1.668 19.240 419 HZ PHE 47 HZ PHE 47 8.991 -0.560 20.302 420 H ALA 48 H ALA 48 5.694 1.753 13.403 421 HA ALA 48 HA ALA 48 4.448 0.059 11.692 422 1HB ALA 48 1HB ALA 48 3.622 1.929 10.554 423 2HB ALA 48 2HB ALA 48 5.138 2.815 10.706 424 3HB ALA 48 3HB ALA 48 4.093 2.610 12.110 425 H ARG 49 H ARG 49 6.844 2.324 10.385 426 HA ARG 49 HA ARG 49 7.369 1.291 7.962 427 1HB ARG 49 1HB ARG 49 8.543 3.233 9.176 428 2HB ARG 49 2HB ARG 49 9.680 2.016 9.753 429 1HG ARG 49 1HG ARG 49 10.330 1.435 7.524 430 2HG ARG 49 2HG ARG 49 9.011 2.368 6.822 431 1HD ARG 49 1HD ARG 49 10.032 4.416 7.284 432 2HD ARG 49 2HD ARG 49 11.029 3.746 8.572 433 HE ARG 49 HE ARG 49 11.583 3.632 5.701 434 1HH1 ARG 49 1HH1 ARG 49 12.324 2.597 8.922 435 2HH1 ARG 49 2HH1 ARG 49 13.928 2.076 8.530 436 1HH2 ARG 49 1HH2 ARG 49 13.682 2.946 5.184 437 2HH2 ARG 49 2HH2 ARG 49 14.697 2.273 6.416 438 H ASN 50 H ASN 50 8.547 -0.047 11.011 439 HA ASN 50 HA ASN 50 10.352 -1.923 10.070 440 1HB ASN 50 1HB ASN 50 9.565 -1.280 12.504 441 2HB ASN 50 2HB ASN 50 8.504 -2.674 12.306 442 1HD2 ASN 50 1HD2 ASN 50 9.581 -4.796 11.840 443 2HD2 ASN 50 2HD2 ASN 50 11.186 -5.040 12.333 444 H SER 51 H SER 51 6.866 -2.213 10.599 445 HA SER 51 HA SER 51 6.689 -4.885 9.450 446 1HB SER 51 1HB SER 51 5.281 -3.560 11.365 447 2HB SER 51 2HB SER 51 4.217 -3.382 9.975 448 HG SER 51 HG SER 51 4.825 -5.590 11.451 449 H LEU 52 H LEU 52 5.424 -1.642 8.658 450 HA LEU 52 HA LEU 52 3.932 -2.216 6.434 451 1HB LEU 52 1HB LEU 52 5.506 0.145 7.313 452 2HB LEU 52 2HB LEU 52 4.996 0.124 5.627 453 HG LEU 52 HG LEU 52 3.002 -0.547 7.780 454 1HD1 LEU 52 1HD1 LEU 52 3.514 2.278 6.831 455 2HD1 LEU 52 2HD1 LEU 52 4.200 1.649 8.328 456 3HD1 LEU 52 3HD1 LEU 52 2.451 1.746 8.134 457 1HD2 LEU 52 1HD2 LEU 52 2.608 1.008 5.219 458 2HD2 LEU 52 2HD2 LEU 52 1.416 0.090 6.139 459 3HD2 LEU 52 3HD2 LEU 52 2.658 -0.754 5.216 460 H ASN 53 H ASN 53 7.431 -1.436 6.389 461 HA ASN 53 HA ASN 53 7.629 -2.079 3.603 462 1HB ASN 53 1HB ASN 53 9.140 -0.475 4.905 463 2HB ASN 53 2HB ASN 53 9.942 -1.911 5.540 464 1HD2 ASN 53 1HD2 ASN 53 10.566 -3.554 3.658 465 2HD2 ASN 53 2HD2 ASN 53 11.247 -2.840 2.276 466 H ASP 54 H ASP 54 7.395 -3.993 6.349 467 HA ASP 54 HA ASP 54 9.126 -6.138 5.521 468 1HB ASP 54 1HB ASP 54 8.248 -5.663 7.897 469 2HB ASP 54 2HB ASP 54 6.757 -6.435 7.363 470 H ASN 55 H ASN 55 5.853 -5.142 4.957 471 HA ASN 55 HA ASN 55 5.543 -7.161 2.871 472 1HB ASN 55 1HB ASN 55 3.416 -6.880 4.998 473 2HB ASN 55 2HB ASN 55 3.496 -8.067 3.698 474 1HD2 ASN 55 1HD2 ASN 55 4.787 -7.220 6.876 475 2HD2 ASN 55 2HD2 ASN 55 5.614 -8.682 7.123 476 H SER 56 H SER 56 5.930 -4.748 2.123 477 HA SER 56 HA SER 56 3.543 -3.102 2.136 478 1HB SER 56 1HB SER 56 4.897 -1.585 0.725 479 2HB SER 56 2HB SER 56 5.729 -2.028 2.212 480 HG SER 56 HG SER 56 6.461 -2.437 -0.339 481 H GLU 57 H GLU 57 2.873 -5.524 1.066 482 HA GLU 57 HA GLU 57 3.069 -5.520 -1.808 483 1HB GLU 57 1HB GLU 57 1.439 -7.381 -1.670 484 2HB GLU 57 2HB GLU 57 2.822 -7.628 -0.603 485 1HG GLU 57 1HG GLU 57 1.497 -6.718 1.290 486 2HG GLU 57 2HG GLU 57 0.108 -6.552 0.217 487 H ILE 58 H ILE 58 2.025 -3.094 -0.596 488 HA ILE 58 HA ILE 58 -0.771 -2.889 -0.803 489 HB ILE 58 HB ILE 58 1.217 -0.696 -1.404 490 1HG1 ILE 58 1HG1 ILE 58 1.927 -1.717 0.662 491 2HG1 ILE 58 2HG1 ILE 58 1.064 -0.237 1.073 492 1HG2 ILE 58 1HG2 ILE 58 -1.624 -0.758 -0.379 493 2HG2 ILE 58 2HG2 ILE 58 -1.023 0.011 -1.848 494 3HG2 ILE 58 3HG2 ILE 58 -0.598 0.672 -0.271 495 1HD1 ILE 58 1HD1 ILE 58 0.140 -3.092 1.338 496 2HD1 ILE 58 2HD1 ILE 58 -1.031 -1.778 1.239 497 3HD1 ILE 58 3HD1 ILE 58 0.142 -1.815 2.554 498 H ILE 59 H ILE 59 1.410 -3.626 -3.201 499 HA ILE 59 HA ILE 59 0.141 -2.181 -5.370 500 HB ILE 59 HB ILE 59 2.480 -2.713 -5.613 501 1HG1 ILE 59 1HG1 ILE 59 1.006 -4.685 -7.373 502 2HG1 ILE 59 2HG1 ILE 59 0.896 -2.942 -7.612 503 1HG2 ILE 59 1HG2 ILE 59 2.713 -4.587 -4.134 504 2HG2 ILE 59 2HG2 ILE 59 3.157 -5.160 -5.742 505 3HG2 ILE 59 3HG2 ILE 59 1.572 -5.550 -5.073 506 1HD1 ILE 59 1HD1 ILE 59 3.411 -4.630 -7.702 507 2HD1 ILE 59 2HD1 ILE 59 3.406 -2.867 -7.747 508 3HD1 ILE 59 3HD1 ILE 59 2.653 -3.786 -9.051 509 H HIS 60 H HIS 60 -0.521 -4.901 -3.530 510 HA HIS 60 HA HIS 60 -1.795 -6.670 -5.387 511 1HB HIS 60 1HB HIS 60 -1.839 -6.263 -2.416 512 2HB HIS 60 2HB HIS 60 -3.027 -7.322 -3.174 513 HD1 HIS 60 HD1 HIS 60 0.654 -6.873 -4.055 514 HD2 HIS 60 HD2 HIS 60 -1.959 -9.841 -2.735 515 HE1 HIS 60 HE1 HIS 60 1.977 -9.034 -4.032 516 HE2 HIS 60 HE2 HIS 60 0.397 -10.852 -3.228 517 H LEU 61 H LEU 61 -2.774 -3.646 -3.982 518 HA LEU 61 HA LEU 61 -5.477 -4.065 -5.123 519 1HB LEU 61 1HB LEU 61 -5.318 -2.084 -2.967 520 2HB LEU 61 2HB LEU 61 -6.464 -3.400 -3.206 521 HG LEU 61 HG LEU 61 -4.614 -4.983 -2.447 522 1HD1 LEU 61 1HD1 LEU 61 -2.559 -4.059 -2.238 523 2HD1 LEU 61 2HD1 LEU 61 -3.154 -3.271 -0.780 524 3HD1 LEU 61 3HD1 LEU 61 -3.203 -2.421 -2.322 525 1HD2 LEU 61 1HD2 LEU 61 -6.376 -4.585 -0.918 526 2HD2 LEU 61 2HD2 LEU 61 -5.886 -2.911 -0.656 527 3HD2 LEU 61 3HD2 LEU 61 -4.916 -4.227 0.002 528 H ALA 62 H ALA 62 -3.024 -1.676 -4.199 529 HA ALA 62 HA ALA 62 -4.092 0.588 -5.403 530 1HB ALA 62 1HB ALA 62 -1.994 0.392 -3.962 531 2HB ALA 62 2HB ALA 62 -1.891 1.495 -5.333 532 3HB ALA 62 3HB ALA 62 -1.151 -0.103 -5.429 533 H GLU 63 H GLU 63 -2.988 -2.280 -6.881 534 HA GLU 63 HA GLU 63 -2.145 -1.128 -9.357 535 1HB GLU 63 1HB GLU 63 -2.281 -3.487 -10.198 536 2HB GLU 63 2HB GLU 63 -1.318 -3.317 -8.728 537 1HG GLU 63 1HG GLU 63 -3.223 -4.028 -7.364 538 2HG GLU 63 2HG GLU 63 -4.236 -4.128 -8.798 539 H SER 64 H SER 64 -4.738 -0.209 -8.460 540 HA SER 64 HA SER 64 -6.361 -1.062 -10.782 541 1HB SER 64 1HB SER 64 -8.370 -0.978 -9.446 542 2HB SER 64 2HB SER 64 -7.222 -2.050 -8.649 543 HG SER 64 HG SER 64 -7.571 -0.779 -7.006 544 H LEU 65 H LEU 65 -6.687 1.355 -8.174 545 HA LEU 65 HA LEU 65 -7.934 3.365 -9.443 546 1HB LEU 65 1HB LEU 65 -7.073 3.387 -7.080 547 2HB LEU 65 2HB LEU 65 -5.490 3.810 -7.710 548 HG LEU 65 HG LEU 65 -6.915 5.747 -6.869 549 1HD1 LEU 65 1HD1 LEU 65 -6.489 6.538 -9.645 550 2HD1 LEU 65 2HD1 LEU 65 -5.124 5.624 -9.003 551 3HD1 LEU 65 3HD1 LEU 65 -5.674 7.079 -8.182 552 1HD2 LEU 65 1HD2 LEU 65 -8.385 5.517 -9.489 553 2HD2 LEU 65 2HD2 LEU 65 -8.783 6.495 -8.079 554 3HD2 LEU 65 3HD2 LEU 65 -9.009 4.748 -8.028 555 H TYR 66 H TYR 66 -4.738 2.236 -10.143 556 HA TYR 66 HA TYR 66 -4.416 4.392 -12.156 557 1HB TYR 66 1HB TYR 66 -2.179 2.784 -10.920 558 2HB TYR 66 2HB TYR 66 -2.044 4.231 -11.914 559 HD1 TYR 66 HD1 TYR 66 -2.125 6.392 -10.945 560 HD2 TYR 66 HD2 TYR 66 -3.317 2.970 -8.637 561 HE1 TYR 66 HE1 TYR 66 -2.234 7.803 -8.909 562 HE2 TYR 66 HE2 TYR 66 -3.428 4.385 -6.600 563 HH TYR 66 HH TYR 66 -2.338 7.736 -6.631 564 H GLU 67 H GLU 67 -2.684 3.499 -13.866 565 HA GLU 67 HA GLU 67 -4.029 1.410 -15.263 566 1HB GLU 67 1HB GLU 67 -1.914 1.570 -16.752 567 2HB GLU 67 2HB GLU 67 -2.978 2.972 -16.658 568 1HG GLU 67 1HG GLU 67 -0.723 2.732 -14.691 569 2HG GLU 67 2HG GLU 67 -0.369 3.259 -16.335 570 H GLY 68 H GLY 68 -1.055 1.558 -13.349 571 1HA GLY 68 1HA GLY 68 -1.135 -1.116 -12.535 572 2HA GLY 68 2HA GLY 68 -0.100 -1.035 -13.957 573 H ILE 69 H ILE 69 -0.490 -0.057 -10.622 574 HA ILE 69 HA ILE 69 1.750 1.604 -10.328 575 HB ILE 69 HB ILE 69 0.510 -0.305 -8.333 576 1HG1 ILE 69 1HG1 ILE 69 -0.850 1.634 -9.485 577 2HG1 ILE 69 2HG1 ILE 69 -0.953 1.415 -7.742 578 1HG2 ILE 69 1HG2 ILE 69 2.631 0.269 -7.455 579 2HG2 ILE 69 2HG2 ILE 69 1.526 1.425 -6.710 580 3HG2 ILE 69 3HG2 ILE 69 2.534 1.919 -8.071 581 1HD1 ILE 69 1HD1 ILE 69 0.380 3.273 -7.289 582 2HD1 ILE 69 2HD1 ILE 69 -0.493 3.812 -8.723 583 3HD1 ILE 69 3HD1 ILE 69 1.163 3.229 -8.869 584 H LYS 70 H LYS 70 3.886 1.245 -10.012 585 HA LYS 70 HA LYS 70 4.971 -1.330 -10.741 586 1HB LYS 70 1HB LYS 70 5.876 1.145 -11.130 587 2HB LYS 70 2HB LYS 70 6.680 0.833 -9.592 588 1HG LYS 70 1HG LYS 70 6.868 -0.868 -12.099 589 2HG LYS 70 2HG LYS 70 8.138 0.162 -11.440 590 1HD LYS 70 1HD LYS 70 7.812 -1.275 -9.268 591 2HD LYS 70 2HD LYS 70 7.062 -2.434 -10.367 592 1HE LYS 70 1HE LYS 70 9.888 -1.367 -10.437 593 2HE LYS 70 2HE LYS 70 9.363 -3.044 -10.288 594 1HZ LYS 70 1HZ LYS 70 8.198 -2.384 -12.573 595 2HZ LYS 70 2HZ LYS 70 9.766 -3.034 -12.491 596 3HZ LYS 70 3HZ LYS 70 9.546 -1.355 -12.650 597 H SER 71 H SER 71 4.621 0.608 -7.813 598 HA SER 71 HA SER 71 4.570 -1.562 -6.052 599 1HB SER 71 1HB SER 71 6.865 -1.072 -4.954 600 2HB SER 71 2HB SER 71 6.836 -2.065 -6.407 601 HG SER 71 HG SER 71 7.040 0.720 -6.653 602 H VAL 72 H VAL 72 5.388 -0.690 -3.732 603 HA VAL 72 HA VAL 72 4.731 2.145 -3.361 604 HB VAL 72 HB VAL 72 3.288 0.054 -1.735 605 1HG1 VAL 72 1HG1 VAL 72 2.708 2.970 -2.341 606 2HG1 VAL 72 2HG1 VAL 72 3.441 2.365 -0.856 607 3HG1 VAL 72 3HG1 VAL 72 1.779 1.935 -1.258 608 1HG2 VAL 72 1HG2 VAL 72 2.507 -0.406 -3.947 609 2HG2 VAL 72 2HG2 VAL 72 2.464 1.307 -4.364 610 3HG2 VAL 72 3HG2 VAL 72 1.289 0.649 -3.230 611 H ASN 73 H ASN 73 5.651 3.017 -1.496 612 HA ASN 73 HA ASN 73 6.758 1.310 0.552 613 1HB ASN 73 1HB ASN 73 8.371 1.135 -1.433 614 2HB ASN 73 2HB ASN 73 8.792 2.810 -1.081 615 1HD2 ASN 73 1HD2 ASN 73 10.824 0.942 -0.777 616 2HD2 ASN 73 2HD2 ASN 73 11.134 0.677 0.871 617 H PHE 74 H PHE 74 7.621 2.377 2.304 618 HA PHE 74 HA PHE 74 7.169 5.303 2.396 619 1HB PHE 74 1HB PHE 74 6.959 3.637 4.872 620 2HB PHE 74 2HB PHE 74 6.125 5.131 4.448 621 HD1 PHE 74 HD1 PHE 74 3.881 5.009 3.821 622 HD2 PHE 74 HD2 PHE 74 6.388 1.558 3.307 623 HE1 PHE 74 HE1 PHE 74 1.919 3.697 3.064 624 HE2 PHE 74 HE2 PHE 74 4.426 0.247 2.550 625 HZ PHE 74 HZ PHE 74 2.191 1.316 2.429 626 H VAL 75 H VAL 75 8.617 6.489 3.773 627 HA VAL 75 HA VAL 75 10.940 5.037 4.817 628 HB VAL 75 HB VAL 75 12.542 6.361 3.616 629 1HG1 VAL 75 1HG1 VAL 75 11.574 4.335 2.498 630 2HG1 VAL 75 2HG1 VAL 75 12.178 5.541 1.362 631 3HG1 VAL 75 3HG1 VAL 75 10.446 5.394 1.654 632 1HG2 VAL 75 1HG2 VAL 75 10.084 7.795 2.590 633 2HG2 VAL 75 2HG2 VAL 75 11.648 7.920 1.782 634 3HG2 VAL 75 3HG2 VAL 75 11.463 8.486 3.441 635 H ASN 76 H ASN 76 12.556 7.329 5.191 636 HA ASN 76 HA ASN 76 11.004 8.700 7.300 637 1HB ASN 76 1HB ASN 76 13.955 8.929 7.295 638 2HB ASN 76 2HB ASN 76 12.846 8.644 8.634 639 1HD2 ASN 76 1HD2 ASN 76 15.319 7.161 7.065 640 2HD2 ASN 76 2HD2 ASN 76 14.852 5.538 7.239 641 H GLU 77 H GLU 77 11.307 10.921 7.654 642 HA GLU 77 HA GLU 77 10.926 12.679 5.707 643 1HB GLU 77 1HB GLU 77 12.360 14.331 7.178 644 2HB GLU 77 2HB GLU 77 10.858 13.648 7.800 645 1HG GLU 77 1HG GLU 77 12.097 11.898 8.971 646 2HG GLU 77 2HG GLU 77 13.614 12.482 8.291 647 H GLN 78 H GLN 78 14.271 11.928 6.786 648 HA GLN 78 HA GLN 78 15.465 13.538 4.790 649 1HB GLN 78 1HB GLN 78 16.703 12.909 6.788 650 2HB GLN 78 2HB GLN 78 16.593 11.204 6.356 651 1HG GLN 78 1HG GLN 78 17.708 12.817 4.178 652 2HG GLN 78 2HG GLN 78 18.663 12.946 5.651 653 1HE2 GLN 78 1HE2 GLN 78 19.080 10.674 6.743 654 2HE2 GLN 78 2HE2 GLN 78 19.464 9.410 5.676 655 H ASP 79 H ASP 79 14.795 10.041 4.893 656 HA ASP 79 HA ASP 79 16.044 9.300 2.525 657 1HB ASP 79 1HB ASP 79 13.661 8.285 4.019 658 2HB ASP 79 2HB ASP 79 14.002 7.629 2.418 659 H PHE 80 H PHE 80 12.529 10.043 2.809 660 HA PHE 80 HA PHE 80 11.887 10.140 0.136 661 1HB PHE 80 1HB PHE 80 10.069 10.455 1.568 662 2HB PHE 80 2HB PHE 80 10.909 11.668 2.531 663 HD1 PHE 80 HD1 PHE 80 10.893 13.991 1.922 664 HD2 PHE 80 HD2 PHE 80 9.201 11.050 -0.711 665 HE1 PHE 80 HE1 PHE 80 9.866 15.794 0.566 666 HE2 PHE 80 HE2 PHE 80 8.173 12.851 -2.066 667 HZ PHE 80 HZ PHE 80 8.505 15.224 -1.428 668 H PHE 81 H PHE 81 13.464 12.588 2.128 669 HA PHE 81 HA PHE 81 13.459 14.694 0.258 670 1HB PHE 81 1HB PHE 81 14.420 14.262 2.871 671 2HB PHE 81 2HB PHE 81 15.828 14.736 1.924 672 HD1 PHE 81 HD1 PHE 81 16.135 16.987 1.243 673 HD2 PHE 81 HD2 PHE 81 12.321 15.709 2.751 674 HE1 PHE 81 HE1 PHE 81 15.359 19.343 1.278 675 HE2 PHE 81 HE2 PHE 81 11.546 18.064 2.787 676 HZ PHE 81 HZ PHE 81 13.065 19.881 2.051 677 H PHE 82 H PHE 82 15.500 11.854 0.599 678 HA PHE 82 HA PHE 82 17.598 12.816 -1.101 679 1HB PHE 82 1HB PHE 82 17.962 11.016 0.553 680 2HB PHE 82 2HB PHE 82 16.848 9.981 -0.339 681 HD1 PHE 82 HD1 PHE 82 19.941 12.038 -0.827 682 HD2 PHE 82 HD2 PHE 82 17.670 8.603 -2.049 683 HE1 PHE 82 HE1 PHE 82 21.789 11.351 -2.330 684 HE2 PHE 82 HE2 PHE 82 19.518 7.916 -3.552 685 HZ PHE 82 HZ PHE 82 21.578 9.290 -3.692 686 H ASN 83 H ASN 83 14.513 11.263 -1.530 687 HA ASN 83 HA ASN 83 15.055 10.694 -4.363 688 1HB ASN 83 1HB ASN 83 13.790 9.097 -2.784 689 2HB ASN 83 2HB ASN 83 12.453 10.241 -2.902 690 1HD2 ASN 83 1HD2 ASN 83 11.704 10.738 -5.216 691 2HD2 ASN 83 2HD2 ASN 83 11.809 9.491 -6.362 692 H LEU 84 H LEU 84 14.832 13.418 -3.116 693 HA LEU 84 HA LEU 84 12.410 14.494 -4.360 694 1HB LEU 84 1HB LEU 84 13.588 15.152 -2.029 695 2HB LEU 84 2HB LEU 84 14.425 16.282 -3.087 696 HG LEU 84 HG LEU 84 12.452 17.390 -2.251 697 1HD1 LEU 84 1HD1 LEU 84 11.495 18.093 -4.280 698 2HD1 LEU 84 2HD1 LEU 84 11.637 16.497 -5.013 699 3HD1 LEU 84 3HD1 LEU 84 13.077 17.486 -4.766 700 1HD2 LEU 84 1HD2 LEU 84 10.541 15.462 -3.483 701 2HD2 LEU 84 2HD2 LEU 84 10.384 16.427 -2.016 702 3HD2 LEU 84 3HD2 LEU 84 11.327 14.939 -1.992 703 H ALA 85 H ALA 85 15.749 15.676 -4.228 704 HA ALA 85 HA ALA 85 15.740 17.158 -6.523 705 1HB ALA 85 1HB ALA 85 18.183 15.567 -5.809 706 2HB ALA 85 2HB ALA 85 17.591 16.822 -4.720 707 3HB ALA 85 3HB ALA 85 18.066 17.237 -6.367 708 H LYS 86 H LYS 86 15.798 13.710 -6.235 709 HA LYS 86 HA LYS 86 16.973 12.737 -8.467 710 1HB LYS 86 1HB LYS 86 15.766 11.277 -6.960 711 2HB LYS 86 2HB LYS 86 14.230 12.018 -7.408 712 1HG LYS 86 1HG LYS 86 14.638 9.835 -8.561 713 2HG LYS 86 2HG LYS 86 14.429 11.178 -9.683 714 1HD LYS 86 1HD LYS 86 16.709 11.249 -10.228 715 2HD LYS 86 2HD LYS 86 17.190 10.423 -8.745 716 1HE LYS 86 1HE LYS 86 17.389 8.924 -10.696 717 2HE LYS 86 2HE LYS 86 16.166 8.337 -9.570 718 1HZ LYS 86 1HZ LYS 86 14.451 9.034 -10.943 719 2HZ LYS 86 2HZ LYS 86 15.590 8.420 -12.043 720 3HZ LYS 86 3HZ LYS 86 15.436 10.098 -11.823 721 H LEU 87 H LEU 87 13.844 14.390 -8.353 722 HA LEU 87 HA LEU 87 12.869 14.099 -10.878 723 1HB LEU 87 1HB LEU 87 12.838 16.298 -8.888 724 2HB LEU 87 2HB LEU 87 12.420 16.761 -10.537 725 HG LEU 87 HG LEU 87 10.734 14.928 -10.593 726 1HD1 LEU 87 1HD1 LEU 87 11.682 13.391 -8.990 727 2HD1 LEU 87 2HD1 LEU 87 10.126 13.924 -8.356 728 3HD1 LEU 87 3HD1 LEU 87 11.619 14.606 -7.713 729 1HD2 LEU 87 1HD2 LEU 87 10.062 17.210 -9.944 730 2HD2 LEU 87 2HD2 LEU 87 10.468 16.858 -8.264 731 3HD2 LEU 87 3HD2 LEU 87 9.132 16.013 -9.045 732 H GLU 88 H GLU 88 13.881 14.167 -12.777 733 HA GLU 88 HA GLU 88 16.285 15.716 -13.171 734 1HB GLU 88 1HB GLU 88 15.676 13.421 -14.213 735 2HB GLU 88 2HB GLU 88 14.730 14.361 -15.367 736 1HG GLU 88 1HG GLU 88 16.885 15.768 -15.677 737 2HG GLU 88 2HG GLU 88 17.707 14.426 -14.887 738 H GLU 89 H GLU 89 15.054 15.972 -16.092 739 HA GLU 89 HA GLU 89 14.572 18.783 -15.897 740 1HB GLU 89 1HB GLU 89 15.512 17.377 -17.889 741 2HB GLU 89 2HB GLU 89 13.814 17.141 -18.297 742 1HG GLU 89 1HG GLU 89 14.445 19.085 -19.497 743 2HG GLU 89 2HG GLU 89 13.589 19.698 -18.085 744 H ASN 90 H ASN 90 12.652 16.198 -15.136 745 HA ASN 90 HA ASN 90 10.143 16.949 -16.230 746 1HB ASN 90 1HB ASN 90 10.798 14.709 -15.177 747 2HB ASN 90 2HB ASN 90 10.530 15.489 -13.620 748 1HD2 ASN 90 1HD2 ASN 90 8.283 16.497 -13.327 749 2HD2 ASN 90 2HD2 ASN 90 6.972 15.738 -14.091 750 H SER 91 H SER 91 8.319 17.843 -15.076 751 HA SER 91 HA SER 91 8.833 19.367 -12.651 752 1HB SER 91 1HB SER 91 7.954 20.815 -15.155 753 2HB SER 91 2HB SER 91 8.309 21.520 -13.581 754 HG SER 91 HG SER 91 10.354 21.481 -14.063 755 H ARG 92 H ARG 92 6.859 20.339 -11.789 756 HA ARG 92 HA ARG 92 4.366 19.246 -12.928 757 1HB ARG 92 1HB ARG 92 5.421 18.886 -10.127 758 2HB ARG 92 2HB ARG 92 3.693 18.811 -10.470 759 1HG ARG 92 1HG ARG 92 5.607 17.190 -12.132 760 2HG ARG 92 2HG ARG 92 5.125 16.605 -10.541 761 1HD ARG 92 1HD ARG 92 2.918 17.562 -12.286 762 2HD ARG 92 2HD ARG 92 3.718 16.080 -12.800 763 HE ARG 92 HE ARG 92 3.254 15.582 -10.188 764 1HH1 ARG 92 1HH1 ARG 92 1.294 16.859 -12.738 765 2HH1 ARG 92 2HH1 ARG 92 -0.187 16.219 -12.109 766 1HH2 ARG 92 1HH2 ARG 92 1.314 14.740 -9.354 767 2HH2 ARG 92 2HH2 ARG 92 -0.176 15.019 -10.193 768 H ASP 93 H ASP 93 6.023 21.906 -12.052 769 HA ASP 93 HA ASP 93 5.473 24.056 -11.440 770 1HB ASP 93 1HB ASP 93 2.756 23.305 -12.534 771 2HB ASP 93 2HB ASP 93 3.451 24.921 -12.423 772 H THR 94 H THR 94 5.504 24.257 -9.271 773 HA THR 94 HA THR 94 3.240 23.265 -7.683 774 HB THR 94 HB THR 94 5.535 22.754 -6.916 775 HG1 THR 94 HG1 THR 94 4.222 22.859 -5.228 776 1HG2 THR 94 1HG2 THR 94 7.072 24.453 -6.297 777 2HG2 THR 94 2HG2 THR 94 5.837 25.709 -6.378 778 3HG2 THR 94 3HG2 THR 94 6.439 24.968 -7.860 779 H LEU 95 H LEU 95 3.753 25.912 -9.435 780 HA LEU 95 HA LEU 95 3.148 28.138 -9.315 781 1HB LEU 95 1HB LEU 95 1.011 26.736 -7.707 782 2HB LEU 95 2HB LEU 95 0.933 28.456 -8.087 783 HG LEU 95 HG LEU 95 1.153 27.889 -10.511 784 1HD1 LEU 95 1HD1 LEU 95 2.223 25.800 -10.596 785 2HD1 LEU 95 2HD1 LEU 95 0.552 25.386 -10.976 786 3HD1 LEU 95 3HD1 LEU 95 1.181 25.107 -9.353 787 1HD2 LEU 95 1HD2 LEU 95 -1.125 26.747 -8.884 788 2HD2 LEU 95 2HD2 LEU 95 -1.154 26.746 -10.647 789 3HD2 LEU 95 3HD2 LEU 95 -1.072 28.272 -9.768 790 H TYR 96 H TYR 96 2.070 29.741 -7.411 791 HA TYR 96 HA TYR 96 3.399 29.421 -4.867 792 1HB TYR 96 1HB TYR 96 5.197 30.238 -6.483 793 2HB TYR 96 2HB TYR 96 4.286 31.744 -6.579 794 HD1 TYR 96 HD1 TYR 96 6.566 29.743 -4.597 795 HD2 TYR 96 HD2 TYR 96 3.831 33.052 -4.462 796 HE1 TYR 96 HE1 TYR 96 7.593 30.504 -2.472 797 HE2 TYR 96 HE2 TYR 96 4.858 33.815 -2.337 798 HH TYR 96 HH TYR 96 7.769 32.895 -1.269 799 H GLN 97 H GLN 97 2.504 30.714 -3.303 800 HA GLN 97 HA GLN 97 0.685 32.872 -4.138 801 1HB GLN 97 1HB GLN 97 -0.984 31.984 -2.434 802 2HB GLN 97 2HB GLN 97 -0.832 31.048 -3.920 803 1HG GLN 97 1HG GLN 97 0.870 30.356 -1.536 804 2HG GLN 97 2HG GLN 97 -0.798 29.795 -1.620 805 1HE2 GLN 97 1HE2 GLN 97 -1.372 28.332 -3.426 806 2HE2 GLN 97 2HE2 GLN 97 -0.160 27.468 -4.242 807 H ASN 98 H ASN 98 0.020 32.100 -1.009 808 HA ASN 98 HA ASN 98 0.496 33.130 0.988 809 1HB ASN 98 1HB ASN 98 3.267 32.804 -0.166 810 2HB ASN 98 2HB ASN 98 2.971 33.405 1.464 811 1HD2 ASN 98 1HD2 ASN 98 3.306 30.550 -0.416 812 2HD2 ASN 98 2HD2 ASN 98 2.779 29.446 0.760 813 H SER 99 H SER 99 -0.226 34.816 -1.246 814 HA SER 99 HA SER 99 0.352 37.353 -0.136 815 1HB SER 99 1HB SER 99 1.677 38.255 -2.077 816 2HB SER 99 2HB SER 99 2.560 37.123 -1.056 817 HG SER 99 HG SER 99 1.598 36.846 -3.658 818 H GLY 100 H GLY 100 -2.014 36.249 -0.741 819 1HA GLY 100 1HA GLY 100 -3.233 38.147 -2.441 820 2HA GLY 100 2HA GLY 100 -3.060 36.625 -3.311 Start of MODEL 10 1 H MET 1 H MET 1 -8.608 15.496 -7.109 2 HA MET 1 HA MET 1 -9.486 15.432 -4.964 3 1HB MET 1 1HB MET 1 -11.856 15.056 -6.816 4 2HB MET 1 2HB MET 1 -11.822 15.968 -5.307 5 1HG MET 1 1HG MET 1 -10.277 17.585 -6.255 6 2HG MET 1 2HG MET 1 -10.123 16.629 -7.729 7 1HE MET 1 1HE MET 1 -13.567 19.259 -6.318 8 2HE MET 1 2HE MET 1 -11.848 19.613 -6.161 9 3HE MET 1 3HE MET 1 -12.539 18.241 -5.299 10 H GLU 2 H GLU 2 -11.114 12.929 -6.920 11 HA GLU 2 HA GLU 2 -11.801 11.433 -4.511 12 1HB GLU 2 1HB GLU 2 -12.324 10.641 -7.377 13 2HB GLU 2 2HB GLU 2 -13.154 10.073 -5.928 14 1HG GLU 2 1HG GLU 2 -13.161 12.979 -6.774 15 2HG GLU 2 2HG GLU 2 -14.391 11.832 -7.295 16 H GLN 3 H GLN 3 -9.373 11.508 -6.922 17 HA GLN 3 HA GLN 3 -8.533 8.952 -7.320 18 1HB GLN 3 1HB GLN 3 -7.411 11.016 -8.174 19 2HB GLN 3 2HB GLN 3 -6.677 11.221 -6.583 20 1HG GLN 3 1HG GLN 3 -5.480 9.153 -6.773 21 2HG GLN 3 2HG GLN 3 -6.392 8.684 -8.206 22 1HE2 GLN 3 1HE2 GLN 3 -5.685 9.493 -10.246 23 2HE2 GLN 3 2HE2 GLN 3 -4.324 10.491 -10.423 24 H PHE 4 H PHE 4 -6.782 10.791 -4.855 25 HA PHE 4 HA PHE 4 -5.841 8.589 -3.447 26 1HB PHE 4 1HB PHE 4 -6.243 10.449 -1.430 27 2HB PHE 4 2HB PHE 4 -4.824 10.378 -2.472 28 HD1 PHE 4 HD1 PHE 4 -7.887 12.185 -1.671 29 HD2 PHE 4 HD2 PHE 4 -4.702 11.794 -4.526 30 HE1 PHE 4 HE1 PHE 4 -8.472 14.399 -2.626 31 HE2 PHE 4 HE2 PHE 4 -5.287 14.006 -5.482 32 HZ PHE 4 HZ PHE 4 -7.170 15.309 -4.533 33 H ASN 5 H ASN 5 -8.907 10.318 -2.993 34 HA ASN 5 HA ASN 5 -9.837 8.853 -0.798 35 1HB ASN 5 1HB ASN 5 -10.905 10.879 -2.064 36 2HB ASN 5 2HB ASN 5 -11.684 9.636 -3.040 37 1HD2 ASN 5 1HD2 ASN 5 -11.851 11.340 -0.050 38 2HD2 ASN 5 2HD2 ASN 5 -13.076 10.408 0.664 39 H ALA 6 H ALA 6 -9.521 8.035 -4.167 40 HA ALA 6 HA ALA 6 -11.188 5.687 -4.075 41 1HB ALA 6 1HB ALA 6 -10.486 7.134 -6.128 42 2HB ALA 6 2HB ALA 6 -10.621 5.387 -6.319 43 3HB ALA 6 3HB ALA 6 -9.036 6.132 -6.121 44 H PHE 7 H PHE 7 -7.648 6.127 -4.395 45 HA PHE 7 HA PHE 7 -7.014 3.392 -4.017 46 1HB PHE 7 1HB PHE 7 -5.262 4.584 -4.975 47 2HB PHE 7 2HB PHE 7 -5.474 5.965 -3.901 48 HD1 PHE 7 HD1 PHE 7 -4.379 2.392 -3.974 49 HD2 PHE 7 HD2 PHE 7 -4.213 6.154 -1.907 50 HE1 PHE 7 HE1 PHE 7 -2.636 1.485 -2.461 51 HE2 PHE 7 HE2 PHE 7 -2.470 5.247 -0.395 52 HZ PHE 7 HZ PHE 7 -1.682 2.912 -0.671 53 H LYS 8 H LYS 8 -6.752 6.149 -1.778 54 HA LYS 8 HA LYS 8 -5.987 4.871 0.542 55 1HB LYS 8 1HB LYS 8 -6.489 7.376 0.041 56 2HB LYS 8 2HB LYS 8 -8.107 6.985 0.623 57 1HG LYS 8 1HG LYS 8 -7.276 6.293 2.759 58 2HG LYS 8 2HG LYS 8 -5.606 6.289 2.187 59 1HD LYS 8 1HD LYS 8 -5.753 8.313 3.379 60 2HD LYS 8 2HD LYS 8 -6.002 8.821 1.709 61 1HE LYS 8 1HE LYS 8 -7.674 9.859 3.193 62 2HE LYS 8 2HE LYS 8 -8.450 8.757 2.058 63 1HZ LYS 8 1HZ LYS 8 -8.375 8.649 4.894 64 2HZ LYS 8 2HZ LYS 8 -7.755 7.216 4.226 65 3HZ LYS 8 3HZ LYS 8 -9.316 7.742 3.811 66 H SER 9 H SER 9 -9.346 5.501 -0.503 67 HA SER 9 HA SER 9 -10.568 4.153 1.594 68 1HB SER 9 1HB SER 9 -11.887 5.533 0.083 69 2HB SER 9 2HB SER 9 -11.518 4.467 -1.269 70 HG SER 9 HG SER 9 -13.580 4.066 -0.281 71 H LEU 10 H LEU 10 -8.982 2.948 -1.261 72 HA LEU 10 HA LEU 10 -10.040 0.329 -1.286 73 1HB LEU 10 1HB LEU 10 -8.401 1.656 -2.944 74 2HB LEU 10 2HB LEU 10 -7.178 0.783 -2.025 75 HG LEU 10 HG LEU 10 -9.477 -0.387 -3.617 76 1HD1 LEU 10 1HD1 LEU 10 -6.465 -0.404 -3.830 77 2HD1 LEU 10 2HD1 LEU 10 -7.653 -0.002 -5.066 78 3HD1 LEU 10 3HD1 LEU 10 -7.427 -1.680 -4.576 79 1HD2 LEU 10 1HD2 LEU 10 -8.444 -2.604 -2.832 80 2HD2 LEU 10 2HD2 LEU 10 -9.403 -1.730 -1.643 81 3HD2 LEU 10 3HD2 LEU 10 -7.642 -1.663 -1.575 82 H LEU 11 H LEU 11 -7.338 1.844 0.432 83 HA LEU 11 HA LEU 11 -6.243 -0.490 1.563 84 1HB LEU 11 1HB LEU 11 -6.210 2.414 2.355 85 2HB LEU 11 2HB LEU 11 -5.530 1.202 3.436 86 HG LEU 11 HG LEU 11 -4.722 1.149 0.548 87 1HD1 LEU 11 1HD1 LEU 11 -2.759 2.686 1.413 88 2HD1 LEU 11 2HD1 LEU 11 -3.965 3.235 2.577 89 3HD1 LEU 11 3HD1 LEU 11 -4.261 3.417 0.849 90 1HD2 LEU 11 1HD2 LEU 11 -2.717 0.182 1.449 91 2HD2 LEU 11 2HD2 LEU 11 -4.053 -0.564 2.325 92 3HD2 LEU 11 3HD2 LEU 11 -3.112 0.721 3.081 93 H LYS 12 H LYS 12 -8.604 1.814 2.975 94 HA LYS 12 HA LYS 12 -9.095 0.758 5.409 95 1HB LYS 12 1HB LYS 12 -10.573 2.337 3.643 96 2HB LYS 12 2HB LYS 12 -11.647 0.985 3.991 97 1HG LYS 12 1HG LYS 12 -11.276 1.350 6.426 98 2HG LYS 12 2HG LYS 12 -10.278 2.752 6.041 99 1HD LYS 12 1HD LYS 12 -12.345 3.577 4.694 100 2HD LYS 12 2HD LYS 12 -13.243 2.384 5.633 101 1HE LYS 12 1HE LYS 12 -13.419 4.368 6.909 102 2HE LYS 12 2HE LYS 12 -12.131 3.463 7.703 103 1HZ LYS 12 1HZ LYS 12 -12.012 5.992 6.433 104 2HZ LYS 12 2HZ LYS 12 -10.917 4.920 5.701 105 3HZ LYS 12 3HZ LYS 12 -10.835 5.212 7.373 106 H LYS 13 H LYS 13 -10.652 -0.560 2.471 107 HA LYS 13 HA LYS 13 -11.797 -2.862 3.614 108 1HB LYS 13 1HB LYS 13 -11.647 -1.769 1.083 109 2HB LYS 13 2HB LYS 13 -10.689 -3.238 0.915 110 1HG LYS 13 1HG LYS 13 -12.891 -3.948 0.441 111 2HG LYS 13 2HG LYS 13 -12.649 -4.422 2.123 112 1HD LYS 13 1HD LYS 13 -13.605 -1.924 2.519 113 2HD LYS 13 2HD LYS 13 -14.396 -2.288 0.986 114 1HE LYS 13 1HE LYS 13 -15.927 -3.082 2.591 115 2HE LYS 13 2HE LYS 13 -15.057 -4.536 2.105 116 1HZ LYS 13 1HZ LYS 13 -14.092 -2.915 4.366 117 2HZ LYS 13 2HZ LYS 13 -13.839 -4.564 4.045 118 3HZ LYS 13 3HZ LYS 13 -15.353 -4.025 4.596 119 H HIS 14 H HIS 14 -8.591 -2.303 2.249 120 HA HIS 14 HA HIS 14 -7.533 -4.905 2.440 121 1HB HIS 14 1HB HIS 14 -6.568 -2.816 1.303 122 2HB HIS 14 2HB HIS 14 -5.933 -2.397 2.891 123 HD1 HIS 14 HD1 HIS 14 -6.090 -6.013 2.382 124 HD2 HIS 14 HD2 HIS 14 -3.327 -2.995 1.588 125 HE1 HIS 14 HE1 HIS 14 -3.876 -7.165 1.952 126 HE2 HIS 14 HE2 HIS 14 -2.180 -5.337 1.467 127 H TYR 15 H TYR 15 -7.035 -2.153 4.632 128 HA TYR 15 HA TYR 15 -6.084 -3.932 6.732 129 1HB TYR 15 1HB TYR 15 -5.994 -0.994 6.177 130 2HB TYR 15 2HB TYR 15 -5.852 -1.529 7.851 131 HD1 TYR 15 HD1 TYR 15 -3.571 -1.290 8.404 132 HD2 TYR 15 HD2 TYR 15 -4.664 -3.170 4.699 133 HE1 TYR 15 HE1 TYR 15 -1.201 -1.909 8.014 134 HE2 TYR 15 HE2 TYR 15 -2.297 -3.786 4.314 135 HH TYR 15 HH TYR 15 0.269 -2.485 6.187 136 H GLU 16 H GLU 16 -8.957 -3.935 5.967 137 HA GLU 16 HA GLU 16 -10.530 -2.497 7.785 138 1HB GLU 16 1HB GLU 16 -11.266 -3.931 5.778 139 2HB GLU 16 2HB GLU 16 -11.167 -5.304 6.878 140 1HG GLU 16 1HG GLU 16 -12.787 -2.810 7.456 141 2HG GLU 16 2HG GLU 16 -13.461 -4.265 6.727 142 H LYS 17 H LYS 17 -8.779 -5.537 8.094 143 HA LYS 17 HA LYS 17 -9.807 -6.083 10.747 144 1HB LYS 17 1HB LYS 17 -7.692 -7.369 9.017 145 2HB LYS 17 2HB LYS 17 -8.006 -7.890 10.673 146 1HG LYS 17 1HG LYS 17 -10.216 -8.571 10.165 147 2HG LYS 17 2HG LYS 17 -10.239 -7.660 8.655 148 1HD LYS 17 1HD LYS 17 -9.958 -10.122 8.303 149 2HD LYS 17 2HD LYS 17 -8.617 -9.178 7.658 150 1HE LYS 17 1HE LYS 17 -8.504 -10.276 10.462 151 2HE LYS 17 2HE LYS 17 -8.066 -11.285 9.083 152 1HZ LYS 17 1HZ LYS 17 -6.737 -9.025 8.545 153 2HZ LYS 17 2HZ LYS 17 -6.066 -10.354 9.365 154 3HZ LYS 17 3HZ LYS 17 -6.673 -9.030 10.240 155 H THR 18 H THR 18 -6.768 -4.957 9.302 156 HA THR 18 HA THR 18 -5.471 -4.626 11.861 157 HB THR 18 HB THR 18 -3.825 -3.288 10.302 158 HG1 THR 18 HG1 THR 18 -5.002 -3.074 8.494 159 1HG2 THR 18 1HG2 THR 18 -4.362 -6.260 10.190 160 2HG2 THR 18 2HG2 THR 18 -3.192 -5.408 11.200 161 3HG2 THR 18 3HG2 THR 18 -2.938 -5.519 9.457 162 H ILE 19 H ILE 19 -8.023 -3.256 11.516 163 HA ILE 19 HA ILE 19 -7.968 -0.592 10.915 164 HB ILE 19 HB ILE 19 -10.019 -1.561 11.664 165 1HG1 ILE 19 1HG1 ILE 19 -9.233 0.310 13.907 166 2HG1 ILE 19 2HG1 ILE 19 -9.471 0.882 12.255 167 1HG2 ILE 19 1HG2 ILE 19 -10.193 -2.952 13.442 168 2HG2 ILE 19 2HG2 ILE 19 -9.452 -1.778 14.526 169 3HG2 ILE 19 3HG2 ILE 19 -8.438 -2.862 13.576 170 1HD1 ILE 19 1HD1 ILE 19 -11.555 -0.743 13.727 171 2HD1 ILE 19 2HD1 ILE 19 -11.758 0.187 12.243 172 3HD1 ILE 19 3HD1 ILE 19 -11.514 1.019 13.778 173 H GLY 20 H GLY 20 -7.756 -1.402 14.372 174 1HA GLY 20 1HA GLY 20 -6.758 0.732 15.513 175 2HA GLY 20 2HA GLY 20 -6.040 -0.830 15.888 176 H PHE 21 H PHE 21 -4.439 -1.541 14.020 177 HA PHE 21 HA PHE 21 -2.146 -0.048 14.168 178 1HB PHE 21 1HB PHE 21 -2.186 -2.315 13.235 179 2HB PHE 21 2HB PHE 21 -3.039 -1.724 11.809 180 HD1 PHE 21 HD1 PHE 21 -1.834 -0.904 9.964 181 HD2 PHE 21 HD2 PHE 21 0.091 -1.205 13.790 182 HE1 PHE 21 HE1 PHE 21 0.336 -0.294 8.921 183 HE2 PHE 21 HE2 PHE 21 2.256 -0.595 12.750 184 HZ PHE 21 HZ PHE 21 2.378 -0.142 10.314 185 H HIS 22 H HIS 22 -4.638 0.139 11.640 186 HA HIS 22 HA HIS 22 -3.376 2.250 10.190 187 1HB HIS 22 1HB HIS 22 -5.233 0.600 9.400 188 2HB HIS 22 2HB HIS 22 -6.344 1.734 10.167 189 HD1 HIS 22 HD1 HIS 22 -5.403 4.422 9.454 190 HD2 HIS 22 HD2 HIS 22 -5.104 1.282 6.728 191 HE1 HIS 22 HE1 HIS 22 -5.221 5.480 7.161 192 HE2 HIS 22 HE2 HIS 22 -5.039 3.580 5.487 193 H ASP 23 H ASP 23 -5.410 2.143 12.997 194 HA ASP 23 HA ASP 23 -5.992 5.009 12.852 195 1HB ASP 23 1HB ASP 23 -7.652 3.256 13.690 196 2HB ASP 23 2HB ASP 23 -6.636 3.129 15.124 197 H LYS 24 H LYS 24 -3.626 2.909 14.016 198 HA LYS 24 HA LYS 24 -2.728 4.613 16.223 199 1HB LYS 24 1HB LYS 24 -2.456 1.844 15.486 200 2HB LYS 24 2HB LYS 24 -0.856 2.555 15.679 201 1HG LYS 24 1HG LYS 24 -3.032 2.978 17.736 202 2HG LYS 24 2HG LYS 24 -1.970 1.572 17.788 203 1HD LYS 24 1HD LYS 24 0.002 3.074 17.819 204 2HD LYS 24 2HD LYS 24 -1.074 4.470 17.820 205 1HE LYS 24 1HE LYS 24 -0.831 2.344 19.963 206 2HE LYS 24 2HE LYS 24 -0.440 4.058 20.108 207 1HZ LYS 24 1HZ LYS 24 -3.120 2.847 19.731 208 2HZ LYS 24 2HZ LYS 24 -2.819 4.514 19.594 209 3HZ LYS 24 3HZ LYS 24 -2.563 3.720 21.074 210 H TYR 25 H TYR 25 -1.327 3.520 13.074 211 HA TYR 25 HA TYR 25 0.492 5.818 13.437 212 1HB TYR 25 1HB TYR 25 1.027 3.228 11.964 213 2HB TYR 25 2HB TYR 25 2.142 4.591 12.050 214 HD1 TYR 25 HD1 TYR 25 1.238 1.533 13.559 215 HD2 TYR 25 HD2 TYR 25 2.588 5.497 14.514 216 HE1 TYR 25 HE1 TYR 25 2.081 0.720 15.745 217 HE2 TYR 25 HE2 TYR 25 3.433 4.684 16.697 218 HH TYR 25 HH TYR 25 2.589 2.327 18.230 219 H ILE 26 H ILE 26 -0.255 3.805 10.596 220 HA ILE 26 HA ILE 26 0.047 5.615 8.621 221 HB ILE 26 HB ILE 26 -2.180 3.582 8.819 222 1HG1 ILE 26 1HG1 ILE 26 0.515 3.428 7.440 223 2HG1 ILE 26 2HG1 ILE 26 0.214 2.787 9.055 224 1HG2 ILE 26 1HG2 ILE 26 -1.063 5.157 6.488 225 2HG2 ILE 26 2HG2 ILE 26 -2.731 5.127 7.057 226 3HG2 ILE 26 3HG2 ILE 26 -2.035 3.700 6.290 227 1HD1 ILE 26 1HD1 ILE 26 -1.336 1.180 8.247 228 2HD1 ILE 26 2HD1 ILE 26 -0.001 1.136 7.095 229 3HD1 ILE 26 3HD1 ILE 26 -1.488 1.993 6.689 230 H LYS 27 H LYS 27 -2.347 5.787 11.078 231 HA LYS 27 HA LYS 27 -4.309 7.337 9.744 232 1HB LYS 27 1HB LYS 27 -4.101 6.236 12.243 233 2HB LYS 27 2HB LYS 27 -3.861 7.942 12.606 234 1HG LYS 27 1HG LYS 27 -6.186 6.807 11.019 235 2HG LYS 27 2HG LYS 27 -6.257 7.322 12.703 236 1HD LYS 27 1HD LYS 27 -5.378 9.597 11.854 237 2HD LYS 27 2HD LYS 27 -5.818 9.022 10.246 238 1HE LYS 27 1HE LYS 27 -7.723 9.129 12.602 239 2HE LYS 27 2HE LYS 27 -7.636 10.351 11.334 240 1HZ LYS 27 1HZ LYS 27 -9.339 8.482 11.090 241 2HZ LYS 27 2HZ LYS 27 -8.017 7.500 10.674 242 3HZ LYS 27 3HZ LYS 27 -8.391 8.869 9.739 243 H ASP 28 H ASP 28 -1.241 8.140 11.231 244 HA ASP 28 HA ASP 28 -1.731 11.014 10.969 245 1HB ASP 28 1HB ASP 28 -0.533 9.976 12.953 246 2HB ASP 28 2HB ASP 28 0.812 9.653 11.860 247 H ILE 29 H ILE 29 -1.925 10.166 8.509 248 HA ILE 29 HA ILE 29 0.679 10.815 7.263 249 HB ILE 29 HB ILE 29 -1.364 8.813 6.274 250 1HG1 ILE 29 1HG1 ILE 29 0.287 8.249 8.237 251 2HG1 ILE 29 2HG1 ILE 29 0.120 7.119 6.897 252 1HG2 ILE 29 1HG2 ILE 29 -0.434 9.837 4.354 253 2HG2 ILE 29 2HG2 ILE 29 0.526 8.375 4.584 254 3HG2 ILE 29 3HG2 ILE 29 1.169 9.941 5.083 255 1HD1 ILE 29 1HD1 ILE 29 2.209 9.276 6.762 256 2HD1 ILE 29 2HD1 ILE 29 2.178 7.705 5.965 257 3HD1 ILE 29 3HD1 ILE 29 2.518 7.810 7.691 258 H ASN 30 H ASN 30 0.617 12.160 5.490 259 HA ASN 30 HA ASN 30 -1.846 12.917 4.215 260 1HB ASN 30 1HB ASN 30 -1.905 15.232 4.929 261 2HB ASN 30 2HB ASN 30 -1.990 14.192 6.350 262 1HD2 ASN 30 1HD2 ASN 30 -0.232 14.267 7.855 263 2HD2 ASN 30 2HD2 ASN 30 1.072 15.340 7.691 264 H ARG 31 H ARG 31 1.052 12.068 3.760 265 HA ARG 31 HA ARG 31 1.566 14.001 1.605 266 1HB ARG 31 1HB ARG 31 2.980 14.644 3.553 267 2HB ARG 31 2HB ARG 31 3.702 13.040 3.517 268 1HG ARG 31 1HG ARG 31 5.140 14.614 2.318 269 2HG ARG 31 2HG ARG 31 4.463 13.447 1.187 270 1HD ARG 31 1HD ARG 31 4.417 16.045 0.644 271 2HD ARG 31 2HD ARG 31 3.073 15.005 0.189 272 HE ARG 31 HE ARG 31 2.856 16.235 2.820 273 1HH1 ARG 31 1HH1 ARG 31 2.178 16.385 -0.570 274 2HH1 ARG 31 2HH1 ARG 31 0.842 17.474 -0.394 275 1HH2 ARG 31 1HH2 ARG 31 1.105 17.661 3.058 276 2HH2 ARG 31 2HH2 ARG 31 0.235 18.195 1.658 277 H PHE 32 H PHE 32 1.737 12.944 -0.225 278 HA PHE 32 HA PHE 32 3.354 10.581 -0.537 279 1HB PHE 32 1HB PHE 32 1.467 9.178 -1.411 280 2HB PHE 32 2HB PHE 32 1.377 9.477 0.325 281 HD1 PHE 32 HD1 PHE 32 -0.443 10.668 1.286 282 HD2 PHE 32 HD2 PHE 32 0.062 10.582 -2.979 283 HE1 PHE 32 HE1 PHE 32 -2.679 11.700 1.000 284 HE2 PHE 32 HE2 PHE 32 -2.175 11.615 -3.264 285 HZ PHE 32 HZ PHE 32 -3.546 12.174 -1.274 286 H VAL 33 H VAL 33 3.983 10.368 -2.687 287 HA VAL 33 HA VAL 33 2.475 11.831 -4.736 288 HB VAL 33 HB VAL 33 4.443 13.068 -5.499 289 1HG1 VAL 33 1HG1 VAL 33 2.862 13.998 -3.743 290 2HG1 VAL 33 2HG1 VAL 33 4.470 14.721 -3.757 291 3HG1 VAL 33 3HG1 VAL 33 4.053 13.525 -2.532 292 1HG2 VAL 33 1HG2 VAL 33 6.209 11.573 -4.769 293 2HG2 VAL 33 2HG2 VAL 33 5.748 11.784 -3.081 294 3HG2 VAL 33 3HG2 VAL 33 6.448 13.131 -3.979 295 H PHE 34 H PHE 34 3.245 11.425 -6.913 296 HA PHE 34 HA PHE 34 4.908 9.016 -7.241 297 1HB PHE 34 1HB PHE 34 3.005 8.599 -9.157 298 2HB PHE 34 2HB PHE 34 2.986 7.840 -7.573 299 HD1 PHE 34 HD1 PHE 34 1.626 8.829 -5.715 300 HD2 PHE 34 HD2 PHE 34 1.400 10.273 -9.754 301 HE1 PHE 34 HE1 PHE 34 -0.511 9.971 -5.187 302 HE2 PHE 34 HE2 PHE 34 -0.737 11.416 -9.226 303 HZ PHE 34 HZ PHE 34 -1.693 11.265 -6.942 304 H LYS 35 H LYS 35 6.373 10.841 -7.840 305 HA LYS 35 HA LYS 35 5.910 11.703 -10.639 306 1HB LYS 35 1HB LYS 35 7.390 13.108 -8.405 307 2HB LYS 35 2HB LYS 35 7.403 13.633 -10.088 308 1HG LYS 35 1HG LYS 35 4.907 13.778 -10.016 309 2HG LYS 35 2HG LYS 35 4.969 13.386 -8.297 310 1HD LYS 35 1HD LYS 35 6.520 15.381 -8.014 311 2HD LYS 35 2HD LYS 35 6.120 15.824 -9.673 312 1HE LYS 35 1HE LYS 35 4.202 15.564 -7.344 313 2HE LYS 35 2HE LYS 35 4.628 17.039 -8.210 314 1HZ LYS 35 1HZ LYS 35 2.691 15.065 -8.868 315 2HZ LYS 35 2HZ LYS 35 3.792 15.281 -10.144 316 3HZ LYS 35 3HZ LYS 35 2.922 16.607 -9.535 317 H ASN 36 H ASN 36 6.897 9.698 -11.310 318 HA ASN 36 HA ASN 36 9.422 9.819 -12.273 319 1HB ASN 36 1HB ASN 36 9.465 9.155 -9.382 320 2HB ASN 36 2HB ASN 36 10.450 8.116 -10.409 321 1HD2 ASN 36 1HD2 ASN 36 10.927 10.631 -8.479 322 2HD2 ASN 36 2HD2 ASN 36 12.058 11.531 -9.369 323 H ASN 37 H ASN 37 8.754 7.087 -10.188 324 HA ASN 37 HA ASN 37 7.238 5.593 -12.108 325 1HB ASN 37 1HB ASN 37 8.938 3.914 -12.641 326 2HB ASN 37 2HB ASN 37 9.457 5.506 -13.193 327 1HD2 ASN 37 1HD2 ASN 37 10.773 2.852 -11.867 328 2HD2 ASN 37 2HD2 ASN 37 11.937 3.550 -10.848 329 H VAL 38 H VAL 38 7.499 6.345 -9.188 330 HA VAL 38 HA VAL 38 6.743 3.756 -8.119 331 HB VAL 38 HB VAL 38 9.018 5.318 -6.868 332 1HG1 VAL 38 1HG1 VAL 38 9.124 3.018 -5.595 333 2HG1 VAL 38 2HG1 VAL 38 7.439 2.878 -6.092 334 3HG1 VAL 38 3HG1 VAL 38 7.954 4.236 -5.092 335 1HG2 VAL 38 1HG2 VAL 38 8.965 2.759 -8.486 336 2HG2 VAL 38 2HG2 VAL 38 10.324 3.229 -7.469 337 3HG2 VAL 38 3HG2 VAL 38 9.863 4.235 -8.840 338 H LEU 39 H LEU 39 6.105 4.051 -5.733 339 HA LEU 39 HA LEU 39 4.873 6.723 -5.366 340 1HB LEU 39 1HB LEU 39 3.742 3.988 -5.201 341 2HB LEU 39 2HB LEU 39 3.315 5.041 -3.856 342 HG LEU 39 HG LEU 39 2.728 6.791 -5.674 343 1HD1 LEU 39 1HD1 LEU 39 3.761 5.663 -7.577 344 2HD1 LEU 39 2HD1 LEU 39 2.016 5.734 -7.829 345 3HD1 LEU 39 3HD1 LEU 39 2.770 4.231 -7.300 346 1HD2 LEU 39 1HD2 LEU 39 1.071 4.265 -5.420 347 2HD2 LEU 39 2HD2 LEU 39 0.471 5.845 -5.924 348 3HD2 LEU 39 3HD2 LEU 39 1.063 5.611 -4.279 349 H LEU 40 H LEU 40 5.629 7.783 -3.633 350 HA LEU 40 HA LEU 40 6.787 6.186 -1.422 351 1HB LEU 40 1HB LEU 40 7.739 8.553 -2.901 352 2HB LEU 40 2HB LEU 40 7.834 8.731 -1.153 353 HG LEU 40 HG LEU 40 8.822 6.162 -2.349 354 1HD1 LEU 40 1HD1 LEU 40 10.484 8.699 -2.299 355 2HD1 LEU 40 2HD1 LEU 40 9.779 8.016 -3.764 356 3HD1 LEU 40 3HD1 LEU 40 10.991 7.107 -2.863 357 1HD2 LEU 40 1HD2 LEU 40 8.716 6.698 0.136 358 2HD2 LEU 40 2HD2 LEU 40 9.943 7.931 -0.156 359 3HD2 LEU 40 3HD2 LEU 40 10.311 6.232 -0.455 360 H ILE 41 H ILE 41 6.171 6.616 0.623 361 HA ILE 41 HA ILE 41 4.250 8.820 1.079 362 HB ILE 41 HB ILE 41 3.931 6.008 2.159 363 1HG1 ILE 41 1HG1 ILE 41 2.314 7.398 0.001 364 2HG1 ILE 41 2HG1 ILE 41 3.586 6.228 -0.340 365 1HG2 ILE 41 1HG2 ILE 41 1.622 6.945 2.680 366 2HG2 ILE 41 2HG2 ILE 41 2.271 8.537 2.290 367 3HG2 ILE 41 3HG2 ILE 41 2.941 7.618 3.637 368 1HD1 ILE 41 1HD1 ILE 41 1.221 5.283 -0.254 369 2HD1 ILE 41 2HD1 ILE 41 1.249 5.608 1.479 370 3HD1 ILE 41 3HD1 ILE 41 2.403 4.475 0.775 371 H LEU 42 H LEU 42 4.652 9.972 2.850 372 HA LEU 42 HA LEU 42 7.008 9.631 4.356 373 1HB LEU 42 1HB LEU 42 4.542 11.320 4.757 374 2HB LEU 42 2HB LEU 42 5.892 11.361 5.887 375 HG LEU 42 HG LEU 42 5.950 13.131 4.065 376 1HD1 LEU 42 1HD1 LEU 42 8.354 11.358 3.764 377 2HD1 LEU 42 2HD1 LEU 42 7.978 12.039 5.348 378 3HD1 LEU 42 3HD1 LEU 42 8.266 13.105 3.974 379 1HD2 LEU 42 1HD2 LEU 42 6.768 10.822 2.289 380 2HD2 LEU 42 2HD2 LEU 42 6.509 12.502 1.826 381 3HD2 LEU 42 3HD2 LEU 42 5.137 11.496 2.286 382 H LEU 43 H LEU 43 7.460 8.487 6.121 383 HA LEU 43 HA LEU 43 5.386 7.747 8.019 384 1HB LEU 43 1HB LEU 43 5.323 5.913 6.325 385 2HB LEU 43 2HB LEU 43 7.025 5.595 6.657 386 HG LEU 43 HG LEU 43 6.381 5.301 9.103 387 1HD1 LEU 43 1HD1 LEU 43 3.870 4.572 9.265 388 2HD1 LEU 43 2HD1 LEU 43 3.660 5.585 7.839 389 3HD1 LEU 43 3HD1 LEU 43 4.265 6.287 9.339 390 1HD2 LEU 43 1HD2 LEU 43 6.775 3.425 7.460 391 2HD2 LEU 43 2HD2 LEU 43 5.035 3.369 7.200 392 3HD2 LEU 43 3HD2 LEU 43 5.700 3.009 8.793 393 H GLU 44 H GLU 44 6.423 8.769 9.664 394 HA GLU 44 HA GLU 44 9.274 8.497 10.072 395 1HB GLU 44 1HB GLU 44 7.274 9.633 12.028 396 2HB GLU 44 2HB GLU 44 8.993 10.004 11.886 397 1HG GLU 44 1HG GLU 44 8.531 10.913 9.586 398 2HG GLU 44 2HG GLU 44 6.811 10.704 9.906 399 H ASN 45 H ASN 45 6.316 7.321 11.650 400 HA ASN 45 HA ASN 45 7.315 6.087 13.881 401 1HB ASN 45 1HB ASN 45 5.256 4.874 12.028 402 2HB ASN 45 2HB ASN 45 5.451 4.542 13.747 403 1HD2 ASN 45 1HD2 ASN 45 5.427 6.756 15.114 404 2HD2 ASN 45 2HD2 ASN 45 4.184 7.830 14.687 405 H GLU 46 H GLU 46 9.075 4.885 14.058 406 HA GLU 46 HA GLU 46 10.306 3.432 11.989 407 1HB GLU 46 1HB GLU 46 11.640 4.088 13.847 408 2HB GLU 46 2HB GLU 46 10.556 3.305 14.994 409 1HG GLU 46 1HG GLU 46 12.654 1.999 14.548 410 2HG GLU 46 2HG GLU 46 11.182 1.106 14.179 411 H PHE 47 H PHE 47 8.237 2.322 14.671 412 HA PHE 47 HA PHE 47 8.378 -0.415 14.125 413 1HB PHE 47 1HB PHE 47 6.407 1.353 15.527 414 2HB PHE 47 2HB PHE 47 5.956 -0.318 15.195 415 HD1 PHE 47 HD1 PHE 47 6.988 -2.152 16.356 416 HD2 PHE 47 HD2 PHE 47 8.415 1.860 16.919 417 HE1 PHE 47 HE1 PHE 47 8.343 -2.906 18.291 418 HE2 PHE 47 HE2 PHE 47 9.771 1.106 18.853 419 HZ PHE 47 HZ PHE 47 9.734 -1.278 19.540 420 H ALA 48 H ALA 48 5.634 1.728 13.351 421 HA ALA 48 HA ALA 48 4.173 0.081 11.754 422 1HB ALA 48 1HB ALA 48 3.147 1.988 10.834 423 2HB ALA 48 2HB ALA 48 4.627 2.941 10.935 424 3HB ALA 48 3HB ALA 48 3.737 2.534 12.403 425 H ARG 49 H ARG 49 7.121 1.755 10.968 426 HA ARG 49 HA ARG 49 7.029 1.204 8.143 427 1HB ARG 49 1HB ARG 49 8.220 3.150 9.269 428 2HB ARG 49 2HB ARG 49 9.457 1.988 9.751 429 1HG ARG 49 1HG ARG 49 9.999 1.473 7.486 430 2HG ARG 49 2HG ARG 49 8.566 2.294 6.875 431 1HD ARG 49 1HD ARG 49 9.905 4.093 6.575 432 2HD ARG 49 2HD ARG 49 9.865 4.285 8.323 433 HE ARG 49 HE ARG 49 11.894 2.454 7.312 434 1HH1 ARG 49 1HH1 ARG 49 11.032 5.657 8.303 435 2HH1 ARG 49 2HH1 ARG 49 12.660 6.139 8.639 436 1HH2 ARG 49 1HH2 ARG 49 14.031 3.080 7.750 437 2HH2 ARG 49 2HH2 ARG 49 14.359 4.680 8.325 438 H ASN 50 H ASN 50 8.699 -0.169 10.951 439 HA ASN 50 HA ASN 50 10.429 -1.887 9.681 440 1HB ASN 50 1HB ASN 50 10.439 -1.554 12.091 441 2HB ASN 50 2HB ASN 50 8.883 -2.368 12.235 442 1HD2 ASN 50 1HD2 ASN 50 8.851 -4.729 11.557 443 2HD2 ASN 50 2HD2 ASN 50 10.272 -5.640 11.733 444 H SER 51 H SER 51 7.004 -2.207 10.341 445 HA SER 51 HA SER 51 6.806 -4.945 9.345 446 1HB SER 51 1HB SER 51 5.461 -3.524 11.254 447 2HB SER 51 2HB SER 51 4.333 -3.476 9.904 448 HG SER 51 HG SER 51 3.998 -5.536 10.149 449 H LEU 52 H LEU 52 5.522 -1.729 8.460 450 HA LEU 52 HA LEU 52 3.967 -2.490 6.298 451 1HB LEU 52 1HB LEU 52 5.402 0.023 7.031 452 2HB LEU 52 2HB LEU 52 4.746 -0.109 5.401 453 HG LEU 52 HG LEU 52 3.047 -0.799 7.796 454 1HD1 LEU 52 1HD1 LEU 52 2.231 1.494 7.863 455 2HD1 LEU 52 2HD1 LEU 52 3.305 1.950 6.542 456 3HD1 LEU 52 3HD1 LEU 52 3.976 1.506 8.110 457 1HD2 LEU 52 1HD2 LEU 52 1.270 -0.662 6.304 458 2HD2 LEU 52 2HD2 LEU 52 2.541 -1.200 5.207 459 3HD2 LEU 52 3HD2 LEU 52 2.093 0.503 5.266 460 H ASN 53 H ASN 53 7.402 -1.497 6.230 461 HA ASN 53 HA ASN 53 7.644 -2.136 3.448 462 1HB ASN 53 1HB ASN 53 9.919 -1.490 3.653 463 2HB ASN 53 2HB ASN 53 9.041 -0.437 4.760 464 1HD2 ASN 53 1HD2 ASN 53 8.661 -2.749 6.704 465 2HD2 ASN 53 2HD2 ASN 53 10.171 -2.922 7.460 466 H ASP 54 H ASP 54 7.799 -4.003 6.337 467 HA ASP 54 HA ASP 54 9.559 -6.030 5.377 468 1HB ASP 54 1HB ASP 54 9.128 -5.892 7.748 469 2HB ASP 54 2HB ASP 54 7.399 -6.114 7.493 470 H ASN 55 H ASN 55 6.311 -5.150 4.839 471 HA ASN 55 HA ASN 55 5.937 -7.202 2.829 472 1HB ASN 55 1HB ASN 55 5.242 -8.284 5.018 473 2HB ASN 55 2HB ASN 55 3.949 -7.090 5.101 474 1HD2 ASN 55 1HD2 ASN 55 5.308 -9.288 2.565 475 2HD2 ASN 55 2HD2 ASN 55 3.790 -9.814 2.016 476 H SER 56 H SER 56 6.034 -4.990 1.815 477 HA SER 56 HA SER 56 3.607 -3.387 2.117 478 1HB SER 56 1HB SER 56 6.200 -2.995 0.635 479 2HB SER 56 2HB SER 56 4.815 -1.939 0.377 480 HG SER 56 HG SER 56 6.441 -1.398 2.096 481 H GLU 57 H GLU 57 2.888 -5.808 1.149 482 HA GLU 57 HA GLU 57 2.914 -5.982 -1.704 483 1HB GLU 57 1HB GLU 57 0.878 -7.242 0.136 484 2HB GLU 57 2HB GLU 57 1.422 -7.817 -1.441 485 1HG GLU 57 1HG GLU 57 3.689 -8.177 -0.520 486 2HG GLU 57 2HG GLU 57 3.127 -7.633 1.060 487 H ILE 58 H ILE 58 2.095 -3.390 -0.721 488 HA ILE 58 HA ILE 58 -0.728 -3.073 -0.938 489 HB ILE 58 HB ILE 58 1.429 -0.999 -1.363 490 1HG1 ILE 58 1HG1 ILE 58 1.842 -2.090 0.757 491 2HG1 ILE 58 2HG1 ILE 58 1.074 -0.537 1.086 492 1HG2 ILE 58 1HG2 ILE 58 -0.488 0.408 -0.284 493 2HG2 ILE 58 2HG2 ILE 58 -1.527 -0.921 -0.793 494 3HG2 ILE 58 3HG2 ILE 58 -0.605 -0.013 -1.991 495 1HD1 ILE 58 1HD1 ILE 58 -0.138 -1.997 2.462 496 2HD1 ILE 58 2HD1 ILE 58 -0.103 -3.300 1.275 497 3HD1 ILE 58 3HD1 ILE 58 -1.155 -1.907 1.025 498 H ILE 59 H ILE 59 1.426 -3.989 -3.251 499 HA ILE 59 HA ILE 59 0.338 -2.390 -5.437 500 HB ILE 59 HB ILE 59 2.643 -2.868 -5.678 501 1HG1 ILE 59 1HG1 ILE 59 1.366 -5.059 -7.331 502 2HG1 ILE 59 2HG1 ILE 59 1.129 -3.350 -7.702 503 1HG2 ILE 59 1HG2 ILE 59 3.463 -5.271 -5.602 504 2HG2 ILE 59 2HG2 ILE 59 1.883 -5.705 -4.949 505 3HG2 ILE 59 3HG2 ILE 59 2.935 -4.606 -4.056 506 1HD1 ILE 59 1HD1 ILE 59 3.709 -3.173 -7.652 507 2HD1 ILE 59 2HD1 ILE 59 2.984 -3.989 -9.036 508 3HD1 ILE 59 3HD1 ILE 59 3.702 -4.934 -7.732 509 H HIS 60 H HIS 60 -0.658 -4.945 -3.657 510 HA HIS 60 HA HIS 60 -1.851 -6.655 -5.691 511 1HB HIS 60 1HB HIS 60 -1.999 -6.483 -2.687 512 2HB HIS 60 2HB HIS 60 -3.030 -7.571 -3.615 513 HD1 HIS 60 HD1 HIS 60 0.660 -6.717 -4.093 514 HD2 HIS 60 HD2 HIS 60 -1.774 -10.027 -3.383 515 HE1 HIS 60 HE1 HIS 60 2.173 -8.746 -4.158 516 HE2 HIS 60 HE2 HIS 60 0.704 -10.773 -3.729 517 H LEU 61 H LEU 61 -2.685 -3.679 -4.196 518 HA LEU 61 HA LEU 61 -5.449 -3.965 -5.225 519 1HB LEU 61 1HB LEU 61 -5.116 -2.067 -3.006 520 2HB LEU 61 2HB LEU 61 -6.349 -3.300 -3.261 521 HG LEU 61 HG LEU 61 -4.534 -5.013 -2.648 522 1HD1 LEU 61 1HD1 LEU 61 -3.124 -3.056 -0.991 523 2HD1 LEU 61 2HD1 LEU 61 -2.915 -2.734 -2.711 524 3HD1 LEU 61 3HD1 LEU 61 -2.470 -4.305 -2.048 525 1HD2 LEU 61 1HD2 LEU 61 -6.448 -4.012 -1.156 526 2HD2 LEU 61 2HD2 LEU 61 -5.130 -3.161 -0.352 527 3HD2 LEU 61 3HD2 LEU 61 -5.148 -4.923 -0.389 528 H ALA 62 H ALA 62 -2.802 -1.780 -4.397 529 HA ALA 62 HA ALA 62 -3.792 0.597 -5.491 530 1HB ALA 62 1HB ALA 62 -1.576 1.384 -5.413 531 2HB ALA 62 2HB ALA 62 -0.900 -0.224 -5.677 532 3HB ALA 62 3HB ALA 62 -1.644 0.178 -4.129 533 H GLU 63 H GLU 63 -2.592 -2.274 -7.030 534 HA GLU 63 HA GLU 63 -1.818 -1.193 -9.505 535 1HB GLU 63 1HB GLU 63 -2.229 -3.521 -10.373 536 2HB GLU 63 2HB GLU 63 -1.192 -3.448 -8.947 537 1HG GLU 63 1HG GLU 63 -3.022 -4.061 -7.498 538 2HG GLU 63 2HG GLU 63 -4.179 -3.921 -8.818 539 H SER 64 H SER 64 -4.341 -0.053 -8.582 540 HA SER 64 HA SER 64 -5.977 -0.688 -10.957 541 1HB SER 64 1HB SER 64 -7.151 0.076 -8.278 542 2HB SER 64 2HB SER 64 -8.001 -0.523 -9.700 543 HG SER 64 HG SER 64 -7.355 -2.013 -7.831 544 H LEU 65 H LEU 65 -5.929 1.713 -8.298 545 HA LEU 65 HA LEU 65 -6.945 3.854 -9.720 546 1HB LEU 65 1HB LEU 65 -5.473 3.471 -7.241 547 2HB LEU 65 2HB LEU 65 -4.994 4.971 -8.029 548 HG LEU 65 HG LEU 65 -6.879 5.372 -6.523 549 1HD1 LEU 65 1HD1 LEU 65 -8.332 5.588 -9.080 550 2HD1 LEU 65 2HD1 LEU 65 -6.683 6.213 -9.140 551 3HD1 LEU 65 3HD1 LEU 65 -7.826 6.850 -7.959 552 1HD2 LEU 65 1HD2 LEU 65 -7.887 2.923 -7.801 553 2HD2 LEU 65 2HD2 LEU 65 -9.095 4.204 -7.730 554 3HD2 LEU 65 3HD2 LEU 65 -8.318 3.641 -6.252 555 H TYR 66 H TYR 66 -3.636 2.652 -9.577 556 HA TYR 66 HA TYR 66 -2.924 4.477 -11.802 557 1HB TYR 66 1HB TYR 66 -1.043 3.362 -9.714 558 2HB TYR 66 2HB TYR 66 -0.640 4.506 -10.986 559 HD1 TYR 66 HD1 TYR 66 -1.049 6.842 -10.721 560 HD2 TYR 66 HD2 TYR 66 -2.642 4.034 -7.888 561 HE1 TYR 66 HE1 TYR 66 -1.667 8.711 -9.216 562 HE2 TYR 66 HE2 TYR 66 -3.268 5.905 -6.383 563 HH TYR 66 HH TYR 66 -2.045 8.873 -6.542 564 H GLU 67 H GLU 67 -3.202 3.151 -13.525 565 HA GLU 67 HA GLU 67 -2.732 0.364 -13.546 566 1HB GLU 67 1HB GLU 67 -2.976 2.423 -15.723 567 2HB GLU 67 2HB GLU 67 -2.736 0.711 -16.067 568 1HG GLU 67 1HG GLU 67 -4.764 0.149 -14.806 569 2HG GLU 67 2HG GLU 67 -4.995 1.846 -14.392 570 H GLY 68 H GLY 68 -0.435 1.857 -12.519 571 1HA GLY 68 1HA GLY 68 1.612 0.524 -14.090 572 2HA GLY 68 2HA GLY 68 1.723 2.279 -14.077 573 H ILE 69 H ILE 69 0.751 0.102 -11.420 574 HA ILE 69 HA ILE 69 2.555 1.448 -9.619 575 HB ILE 69 HB ILE 69 0.765 -0.960 -9.272 576 1HG1 ILE 69 1HG1 ILE 69 -0.051 1.534 -9.642 577 2HG1 ILE 69 2HG1 ILE 69 -0.813 0.515 -8.435 578 1HG2 ILE 69 1HG2 ILE 69 2.451 -1.245 -7.640 579 2HG2 ILE 69 2HG2 ILE 69 1.175 -0.381 -6.785 580 3HG2 ILE 69 3HG2 ILE 69 2.596 0.489 -7.360 581 1HD1 ILE 69 1HD1 ILE 69 -0.138 2.875 -7.675 582 2HD1 ILE 69 2HD1 ILE 69 1.527 2.300 -7.756 583 3HD1 ILE 69 3HD1 ILE 69 0.384 1.540 -6.650 584 H LYS 70 H LYS 70 4.664 1.055 -9.702 585 HA LYS 70 HA LYS 70 5.724 -1.511 -10.557 586 1HB LYS 70 1HB LYS 70 7.109 0.956 -9.482 587 2HB LYS 70 2HB LYS 70 7.911 -0.444 -10.193 588 1HG LYS 70 1HG LYS 70 5.759 0.946 -11.763 589 2HG LYS 70 2HG LYS 70 7.360 1.677 -11.684 590 1HD LYS 70 1HD LYS 70 7.142 -1.245 -12.340 591 2HD LYS 70 2HD LYS 70 6.780 -0.062 -13.595 592 1HE LYS 70 1HE LYS 70 9.308 0.135 -11.959 593 2HE LYS 70 2HE LYS 70 9.226 -0.889 -13.393 594 1HZ LYS 70 1HZ LYS 70 8.182 1.306 -14.383 595 2HZ LYS 70 2HZ LYS 70 9.860 1.041 -14.359 596 3HZ LYS 70 3HZ LYS 70 9.135 2.020 -13.175 597 H SER 71 H SER 71 5.292 0.346 -7.612 598 HA SER 71 HA SER 71 5.199 -1.857 -5.891 599 1HB SER 71 1HB SER 71 7.916 -0.640 -6.268 600 2HB SER 71 2HB SER 71 7.450 -1.266 -4.689 601 HG SER 71 HG SER 71 8.215 -2.597 -6.887 602 H VAL 72 H VAL 72 5.893 -0.972 -3.512 603 HA VAL 72 HA VAL 72 5.059 1.839 -3.242 604 HB VAL 72 HB VAL 72 3.818 -0.385 -1.604 605 1HG1 VAL 72 1HG1 VAL 72 3.961 1.852 -0.542 606 2HG1 VAL 72 2HG1 VAL 72 2.291 1.402 -0.887 607 3HG1 VAL 72 3HG1 VAL 72 3.128 2.552 -1.929 608 1HG2 VAL 72 1HG2 VAL 72 1.739 0.523 -3.016 609 2HG2 VAL 72 2HG2 VAL 72 2.766 -0.766 -3.641 610 3HG2 VAL 72 3HG2 VAL 72 3.000 0.893 -4.192 611 H ASN 73 H ASN 73 6.127 2.914 -1.721 612 HA ASN 73 HA ASN 73 7.718 1.407 0.274 613 1HB ASN 73 1HB ASN 73 9.108 2.015 -1.707 614 2HB ASN 73 2HB ASN 73 8.757 3.710 -1.376 615 1HD2 ASN 73 1HD2 ASN 73 10.897 4.325 -0.725 616 2HD2 ASN 73 2HD2 ASN 73 11.643 3.697 0.665 617 H PHE 74 H PHE 74 8.397 2.612 2.079 618 HA PHE 74 HA PHE 74 7.061 5.192 2.566 619 1HB PHE 74 1HB PHE 74 7.097 2.982 4.628 620 2HB PHE 74 2HB PHE 74 6.192 4.494 4.670 621 HD1 PHE 74 HD1 PHE 74 6.587 1.399 2.584 622 HD2 PHE 74 HD2 PHE 74 3.964 4.513 3.956 623 HE1 PHE 74 HE1 PHE 74 4.680 0.290 1.454 624 HE2 PHE 74 HE2 PHE 74 2.057 3.402 2.827 625 HZ PHE 74 HZ PHE 74 2.415 1.292 1.576 626 H VAL 75 H VAL 75 8.431 6.633 3.526 627 HA VAL 75 HA VAL 75 10.700 5.611 5.082 628 HB VAL 75 HB VAL 75 12.348 6.808 3.805 629 1HG1 VAL 75 1HG1 VAL 75 11.616 4.513 3.054 630 2HG1 VAL 75 2HG1 VAL 75 12.336 5.499 1.780 631 3HG1 VAL 75 3HG1 VAL 75 10.586 5.302 1.859 632 1HG2 VAL 75 1HG2 VAL 75 9.965 7.729 2.174 633 2HG2 VAL 75 2HG2 VAL 75 11.635 7.911 1.636 634 3HG2 VAL 75 3HG2 VAL 75 11.082 8.740 3.091 635 H ASN 76 H ASN 76 12.138 7.766 5.569 636 HA ASN 76 HA ASN 76 10.302 9.461 7.081 637 1HB ASN 76 1HB ASN 76 12.722 10.400 7.774 638 2HB ASN 76 2HB ASN 76 12.014 8.966 8.510 639 1HD2 ASN 76 1HD2 ASN 76 14.827 10.063 7.069 640 2HD2 ASN 76 2HD2 ASN 76 15.455 8.576 6.545 641 H GLU 77 H GLU 77 10.794 11.799 7.219 642 HA GLU 77 HA GLU 77 10.242 13.206 5.004 643 1HB GLU 77 1HB GLU 77 11.960 13.984 7.352 644 2HB GLU 77 2HB GLU 77 11.534 15.136 6.087 645 1HG GLU 77 1HG GLU 77 9.932 15.254 7.959 646 2HG GLU 77 2HG GLU 77 9.141 14.698 6.485 647 H GLN 78 H GLN 78 13.611 13.319 6.172 648 HA GLN 78 HA GLN 78 14.749 14.352 3.904 649 1HB GLN 78 1HB GLN 78 15.862 13.879 6.148 650 2HB GLN 78 2HB GLN 78 16.111 12.232 5.569 651 1HG GLN 78 1HG GLN 78 17.231 13.231 3.525 652 2HG GLN 78 2HG GLN 78 17.172 14.790 4.346 653 1HE2 GLN 78 1HE2 GLN 78 18.725 11.619 4.344 654 2HE2 GLN 78 2HE2 GLN 78 19.903 11.999 5.506 655 H ASP 79 H ASP 79 14.460 10.882 4.669 656 HA ASP 79 HA ASP 79 15.616 9.816 2.405 657 1HB ASP 79 1HB ASP 79 13.225 8.883 3.988 658 2HB ASP 79 2HB ASP 79 13.924 7.935 2.675 659 H PHE 80 H PHE 80 12.074 10.170 2.716 660 HA PHE 80 HA PHE 80 11.386 9.807 0.072 661 1HB PHE 80 1HB PHE 80 9.535 10.009 1.468 662 2HB PHE 80 2HB PHE 80 10.176 11.433 2.286 663 HD1 PHE 80 HD1 PHE 80 9.387 10.436 -1.251 664 HD2 PHE 80 HD2 PHE 80 9.041 13.420 1.816 665 HE1 PHE 80 HE1 PHE 80 8.144 11.899 -2.818 666 HE2 PHE 80 HE2 PHE 80 7.795 14.884 0.250 667 HZ PHE 80 HZ PHE 80 7.349 14.125 -2.070 668 H PHE 81 H PHE 81 12.580 12.718 1.665 669 HA PHE 81 HA PHE 81 12.284 14.408 -0.650 670 1HB PHE 81 1HB PHE 81 12.524 14.917 1.996 671 2HB PHE 81 2HB PHE 81 14.179 15.218 1.464 672 HD1 PHE 81 HD1 PHE 81 14.723 17.219 0.322 673 HD2 PHE 81 HD2 PHE 81 10.618 16.001 0.654 674 HE1 PHE 81 HE1 PHE 81 14.002 19.367 -0.686 675 HE2 PHE 81 HE2 PHE 81 9.896 18.150 -0.350 676 HZ PHE 81 HZ PHE 81 11.589 19.835 -1.019 677 H PHE 82 H PHE 82 14.536 12.021 0.255 678 HA PHE 82 HA PHE 82 16.856 13.249 -0.939 679 1HB PHE 82 1HB PHE 82 16.756 11.402 0.900 680 2HB PHE 82 2HB PHE 82 16.545 10.294 -0.455 681 HD1 PHE 82 HD1 PHE 82 18.688 13.264 0.418 682 HD2 PHE 82 HD2 PHE 82 18.491 9.331 -1.304 683 HE1 PHE 82 HE1 PHE 82 21.127 13.329 -0.013 684 HE2 PHE 82 HE2 PHE 82 20.931 9.399 -1.733 685 HZ PHE 82 HZ PHE 82 22.250 11.397 -1.087 686 H ASN 83 H ASN 83 14.432 10.842 -1.855 687 HA ASN 83 HA ASN 83 15.502 10.020 -4.302 688 1HB ASN 83 1HB ASN 83 13.567 8.923 -3.293 689 2HB ASN 83 2HB ASN 83 12.599 10.377 -3.521 690 1HD2 ASN 83 1HD2 ASN 83 14.942 9.279 -5.949 691 2HD2 ASN 83 2HD2 ASN 83 13.785 8.841 -7.112 692 H LEU 84 H LEU 84 13.988 13.006 -3.385 693 HA LEU 84 HA LEU 84 13.483 13.850 -6.109 694 1HB LEU 84 1HB LEU 84 13.207 15.186 -3.415 695 2HB LEU 84 2HB LEU 84 12.951 16.063 -4.917 696 HG LEU 84 HG LEU 84 10.876 15.058 -3.787 697 1HD1 LEU 84 1HD1 LEU 84 9.816 14.701 -5.865 698 2HD1 LEU 84 2HD1 LEU 84 11.276 14.044 -6.602 699 3HD1 LEU 84 3HD1 LEU 84 11.161 15.770 -6.258 700 1HD2 LEU 84 1HD2 LEU 84 10.460 12.711 -4.064 701 2HD2 LEU 84 2HD2 LEU 84 12.054 12.852 -3.328 702 3HD2 LEU 84 3HD2 LEU 84 11.907 12.503 -5.050 703 H ALA 85 H ALA 85 16.121 13.838 -3.957 704 HA ALA 85 HA ALA 85 17.522 15.832 -5.614 705 1HB ALA 85 1HB ALA 85 18.699 16.626 -3.605 706 2HB ALA 85 2HB ALA 85 17.734 15.531 -2.614 707 3HB ALA 85 3HB ALA 85 16.956 16.864 -3.469 708 H LYS 86 H LYS 86 17.647 13.086 -6.121 709 HA LYS 86 HA LYS 86 20.495 12.648 -5.680 710 1HB LYS 86 1HB LYS 86 20.331 10.543 -4.674 711 2HB LYS 86 2HB LYS 86 19.081 11.466 -3.842 712 1HG LYS 86 1HG LYS 86 17.410 10.559 -5.493 713 2HG LYS 86 2HG LYS 86 18.683 9.520 -6.135 714 1HD LYS 86 1HD LYS 86 19.013 8.687 -3.738 715 2HD LYS 86 2HD LYS 86 17.484 9.481 -3.364 716 1HE LYS 86 1HE LYS 86 16.501 8.175 -5.342 717 2HE LYS 86 2HE LYS 86 17.979 7.215 -5.301 718 1HZ LYS 86 1HZ LYS 86 17.525 6.598 -3.047 719 2HZ LYS 86 2HZ LYS 86 16.153 6.251 -3.986 720 3HZ LYS 86 3HZ LYS 86 16.174 7.620 -2.980 721 H LEU 87 H LEU 87 18.146 13.021 -7.767 722 HA LEU 87 HA LEU 87 18.504 10.726 -9.485 723 1HB LEU 87 1HB LEU 87 17.225 12.372 -11.099 724 2HB LEU 87 2HB LEU 87 16.378 11.622 -9.748 725 HG LEU 87 HG LEU 87 16.681 13.612 -8.385 726 1HD1 LEU 87 1HD1 LEU 87 17.685 15.665 -9.564 727 2HD1 LEU 87 2HD1 LEU 87 18.348 14.526 -10.735 728 3HD1 LEU 87 3HD1 LEU 87 18.822 14.424 -9.039 729 1HD2 LEU 87 1HD2 LEU 87 14.719 13.695 -9.755 730 2HD2 LEU 87 2HD2 LEU 87 15.658 14.113 -11.189 731 3HD2 LEU 87 3HD2 LEU 87 15.471 15.285 -9.884 732 H GLU 88 H GLU 88 20.570 13.048 -8.688 733 HA GLU 88 HA GLU 88 21.512 13.721 -11.380 734 1HB GLU 88 1HB GLU 88 21.425 15.392 -9.449 735 2HB GLU 88 2HB GLU 88 22.788 14.510 -8.760 736 1HG GLU 88 1HG GLU 88 24.001 14.841 -10.948 737 2HG GLU 88 2HG GLU 88 22.684 15.900 -11.450 738 H GLU 89 H GLU 89 21.825 11.227 -11.517 739 HA GLU 89 HA GLU 89 24.677 10.734 -11.123 740 1HB GLU 89 1HB GLU 89 24.062 8.395 -10.219 741 2HB GLU 89 2HB GLU 89 23.963 9.757 -9.102 742 1HG GLU 89 1HG GLU 89 21.574 9.908 -9.376 743 2HG GLU 89 2HG GLU 89 21.597 8.740 -10.696 744 H ASN 90 H ASN 90 24.383 11.060 -13.477 745 HA ASN 90 HA ASN 90 24.432 10.174 -15.595 746 1HB ASN 90 1HB ASN 90 25.446 8.198 -14.238 747 2HB ASN 90 2HB ASN 90 23.868 7.444 -14.464 748 1HD2 ASN 90 1HD2 ASN 90 26.144 9.321 -16.563 749 2HD2 ASN 90 2HD2 ASN 90 26.047 8.239 -17.867 750 H SER 91 H SER 91 22.806 7.612 -16.101 751 HA SER 91 HA SER 91 20.069 8.400 -15.651 752 1HB SER 91 1HB SER 91 19.528 8.603 -18.084 753 2HB SER 91 2HB SER 91 20.535 9.914 -17.476 754 HG SER 91 HG SER 91 21.871 9.340 -18.985 755 H ARG 92 H ARG 92 18.950 6.578 -15.437 756 HA ARG 92 HA ARG 92 20.044 4.027 -15.936 757 1HB ARG 92 1HB ARG 92 17.624 3.270 -15.587 758 2HB ARG 92 2HB ARG 92 18.371 4.164 -14.264 759 1HG ARG 92 1HG ARG 92 17.270 6.210 -14.935 760 2HG ARG 92 2HG ARG 92 16.662 5.453 -16.408 761 1HD ARG 92 1HD ARG 92 15.192 4.027 -15.185 762 2HD ARG 92 2HD ARG 92 15.982 4.403 -13.657 763 HE ARG 92 HE ARG 92 14.641 6.283 -13.513 764 1HH1 ARG 92 1HH1 ARG 92 14.814 5.156 -16.780 765 2HH1 ARG 92 2HH1 ARG 92 13.648 6.289 -17.378 766 1HH2 ARG 92 1HH2 ARG 92 13.109 7.770 -14.290 767 2HH2 ARG 92 2HH2 ARG 92 12.683 7.769 -15.969 768 H ASP 93 H ASP 93 19.129 2.366 -17.373 769 HA ASP 93 HA ASP 93 17.711 3.256 -19.743 770 1HB ASP 93 1HB ASP 93 20.520 2.162 -20.015 771 2HB ASP 93 2HB ASP 93 19.448 2.660 -21.322 772 H THR 94 H THR 94 19.040 0.911 -21.166 773 HA THR 94 HA THR 94 17.082 -1.022 -20.719 774 HB THR 94 HB THR 94 18.301 -1.172 -22.742 775 HG1 THR 94 HG1 THR 94 19.180 -3.212 -20.980 776 1HG2 THR 94 1HG2 THR 94 20.311 0.012 -22.091 777 2HG2 THR 94 2HG2 THR 94 20.780 -1.561 -22.735 778 3HG2 THR 94 3HG2 THR 94 20.770 -1.289 -20.992 779 H LEU 95 H LEU 95 16.896 -2.775 -19.399 780 HA LEU 95 HA LEU 95 18.423 -2.806 -16.978 781 1HB LEU 95 1HB LEU 95 16.279 -4.583 -18.131 782 2HB LEU 95 2HB LEU 95 17.101 -4.995 -16.626 783 HG LEU 95 HG LEU 95 16.403 -2.908 -15.605 784 1HD1 LEU 95 1HD1 LEU 95 15.431 -2.291 -18.398 785 2HD1 LEU 95 2HD1 LEU 95 16.494 -1.330 -17.369 786 3HD1 LEU 95 3HD1 LEU 95 14.776 -1.452 -16.991 787 1HD2 LEU 95 1HD2 LEU 95 14.780 -4.745 -15.524 788 2HD2 LEU 95 2HD2 LEU 95 14.125 -4.262 -17.088 789 3HD2 LEU 95 3HD2 LEU 95 13.930 -3.208 -15.687 790 H TYR 96 H TYR 96 17.818 -5.952 -18.138 791 HA TYR 96 HA TYR 96 20.471 -6.383 -19.236 792 1HB TYR 96 1HB TYR 96 20.782 -6.434 -16.741 793 2HB TYR 96 2HB TYR 96 19.684 -7.814 -16.692 794 HD1 TYR 96 HD1 TYR 96 20.358 -9.992 -17.487 795 HD2 TYR 96 HD2 TYR 96 22.965 -6.602 -17.908 796 HE1 TYR 96 HE1 TYR 96 22.231 -11.506 -18.080 797 HE2 TYR 96 HE2 TYR 96 24.837 -8.116 -18.501 798 HH TYR 96 HH TYR 96 24.939 -11.246 -17.869 799 H GLN 97 H GLN 97 17.234 -7.133 -18.892 800 HA GLN 97 HA GLN 97 17.270 -9.087 -20.946 801 1HB GLN 97 1HB GLN 97 18.139 -10.504 -19.102 802 2HB GLN 97 2HB GLN 97 16.677 -10.163 -18.179 803 1HG GLN 97 1HG GLN 97 15.302 -11.164 -19.950 804 2HG GLN 97 2HG GLN 97 16.746 -11.469 -20.915 805 1HE2 GLN 97 1HE2 GLN 97 14.967 -13.574 -19.987 806 2HE2 GLN 97 2HE2 GLN 97 15.851 -14.546 -18.912 807 H ASN 98 H ASN 98 15.168 -9.277 -18.122 808 HA ASN 98 HA ASN 98 12.767 -9.191 -19.483 809 1HB ASN 98 1HB ASN 98 13.199 -7.999 -16.739 810 2HB ASN 98 2HB ASN 98 11.719 -8.708 -17.381 811 1HD2 ASN 98 1HD2 ASN 98 14.563 -9.406 -15.603 812 2HD2 ASN 98 2HD2 ASN 98 14.445 -11.099 -15.641 813 H SER 99 H SER 99 11.363 -7.614 -20.154 814 HA SER 99 HA SER 99 11.642 -4.849 -19.535 815 1HB SER 99 1HB SER 99 13.607 -5.077 -21.019 816 2HB SER 99 2HB SER 99 12.559 -5.695 -22.294 817 HG SER 99 HG SER 99 12.614 -3.126 -21.109 818 H GLY 100 H GLY 100 10.505 -7.278 -21.839 819 1HA GLY 100 1HA GLY 100 8.405 -7.641 -22.720 820 2HA GLY 100 2HA GLY 100 7.786 -6.452 -21.579 Start of MODEL 11 1 H MET 1 H MET 1 -6.772 14.103 -5.765 2 HA MET 1 HA MET 1 -7.832 15.295 -3.262 3 1HB MET 1 1HB MET 1 -8.819 15.374 -6.129 4 2HB MET 1 2HB MET 1 -9.747 15.933 -4.737 5 1HG MET 1 1HG MET 1 -7.003 16.989 -5.469 6 2HG MET 1 2HG MET 1 -8.513 17.771 -5.934 7 1HE MET 1 1HE MET 1 -9.238 19.785 -4.625 8 2HE MET 1 2HE MET 1 -9.863 19.486 -3.006 9 3HE MET 1 3HE MET 1 -10.338 18.430 -4.334 10 H GLU 2 H GLU 2 -8.968 13.375 -6.049 11 HA GLU 2 HA GLU 2 -10.490 11.657 -4.252 12 1HB GLU 2 1HB GLU 2 -11.080 10.575 -6.562 13 2HB GLU 2 2HB GLU 2 -11.749 12.153 -6.149 14 1HG GLU 2 1HG GLU 2 -9.113 11.955 -7.591 15 2HG GLU 2 2HG GLU 2 -10.626 11.838 -8.486 16 H GLN 3 H GLN 3 -7.685 11.493 -6.377 17 HA GLN 3 HA GLN 3 -7.184 8.838 -6.671 18 1HB GLN 3 1HB GLN 3 -5.285 11.078 -5.983 19 2HB GLN 3 2HB GLN 3 -4.731 9.450 -6.375 20 1HG GLN 3 1HG GLN 3 -4.694 10.727 -8.417 21 2HG GLN 3 2HG GLN 3 -6.055 9.613 -8.523 22 1HE2 GLN 3 1HE2 GLN 3 -7.071 11.154 -10.077 23 2HE2 GLN 3 2HE2 GLN 3 -7.835 12.553 -9.493 24 H PHE 4 H PHE 4 -5.494 10.524 -4.043 25 HA PHE 4 HA PHE 4 -4.840 8.317 -2.539 26 1HB PHE 4 1HB PHE 4 -4.340 9.764 -0.788 27 2HB PHE 4 2HB PHE 4 -4.318 10.865 -2.162 28 HD1 PHE 4 HD1 PHE 4 -5.850 12.674 -2.314 29 HD2 PHE 4 HD2 PHE 4 -6.449 9.593 0.618 30 HE1 PHE 4 HE1 PHE 4 -7.634 14.032 -1.251 31 HE2 PHE 4 HE2 PHE 4 -8.234 10.950 1.678 32 HZ PHE 4 HZ PHE 4 -8.826 13.169 0.744 33 H ASN 5 H ASN 5 -7.880 10.151 -2.389 34 HA ASN 5 HA ASN 5 -9.049 8.673 -0.298 35 1HB ASN 5 1HB ASN 5 -9.946 10.809 -1.302 36 2HB ASN 5 2HB ASN 5 -10.514 9.853 -2.669 37 1HD2 ASN 5 1HD2 ASN 5 -11.906 11.302 -0.236 38 2HD2 ASN 5 2HD2 ASN 5 -13.005 10.129 0.307 39 H ALA 6 H ALA 6 -8.653 8.027 -3.707 40 HA ALA 6 HA ALA 6 -10.466 5.796 -3.785 41 1HB ALA 6 1HB ALA 6 -9.600 7.331 -5.720 42 2HB ALA 6 2HB ALA 6 -9.918 5.625 -6.031 43 3HB ALA 6 3HB ALA 6 -8.265 6.183 -5.779 44 H PHE 7 H PHE 7 -6.895 5.949 -4.101 45 HA PHE 7 HA PHE 7 -6.557 3.142 -3.841 46 1HB PHE 7 1HB PHE 7 -4.556 3.796 -4.632 47 2HB PHE 7 2HB PHE 7 -4.853 5.467 -4.168 48 HD1 PHE 7 HD1 PHE 7 -3.541 6.416 -2.471 49 HD2 PHE 7 HD2 PHE 7 -3.967 2.147 -2.659 50 HE1 PHE 7 HE1 PHE 7 -1.917 6.174 -0.615 51 HE2 PHE 7 HE2 PHE 7 -2.342 1.905 -0.802 52 HZ PHE 7 HZ PHE 7 -1.317 3.918 0.221 53 H LYS 8 H LYS 8 -6.231 5.804 -1.507 54 HA LYS 8 HA LYS 8 -5.445 4.333 0.748 55 1HB LYS 8 1HB LYS 8 -5.587 6.848 0.519 56 2HB LYS 8 2HB LYS 8 -7.315 6.686 0.834 57 1HG LYS 8 1HG LYS 8 -6.928 5.731 2.995 58 2HG LYS 8 2HG LYS 8 -5.212 5.494 2.660 59 1HD LYS 8 1HD LYS 8 -5.259 7.430 4.014 60 2HD LYS 8 2HD LYS 8 -5.118 8.071 2.378 61 1HE LYS 8 1HE LYS 8 -7.575 8.398 2.307 62 2HE LYS 8 2HE LYS 8 -7.693 7.791 3.958 63 1HZ LYS 8 1HZ LYS 8 -6.500 10.298 2.984 64 2HZ LYS 8 2HZ LYS 8 -5.962 9.617 4.444 65 3HZ LYS 8 3HZ LYS 8 -7.592 10.056 4.259 66 H SER 9 H SER 9 -8.762 5.292 -0.226 67 HA SER 9 HA SER 9 -10.045 3.931 1.842 68 1HB SER 9 1HB SER 9 -11.065 4.493 -0.958 69 2HB SER 9 2HB SER 9 -12.072 3.981 0.393 70 HG SER 9 HG SER 9 -10.904 6.426 -0.151 71 H LEU 10 H LEU 10 -8.521 2.821 -1.033 72 HA LEU 10 HA LEU 10 -9.824 0.309 -1.280 73 1HB LEU 10 1HB LEU 10 -8.009 1.679 -2.790 74 2HB LEU 10 2HB LEU 10 -6.967 0.465 -2.056 75 HG LEU 10 HG LEU 10 -9.467 -0.018 -3.704 76 1HD1 LEU 10 1HD1 LEU 10 -7.854 -1.265 -5.139 77 2HD1 LEU 10 2HD1 LEU 10 -6.548 -0.756 -4.073 78 3HD1 LEU 10 3HD1 LEU 10 -7.439 0.444 -5.000 79 1HD2 LEU 10 1HD2 LEU 10 -9.594 -1.696 -2.038 80 2HD2 LEU 10 2HD2 LEU 10 -7.841 -1.856 -1.940 81 3HD2 LEU 10 3HD2 LEU 10 -8.711 -2.481 -3.342 82 H LEU 11 H LEU 11 -7.075 1.500 0.585 83 HA LEU 11 HA LEU 11 -6.131 -1.013 1.496 84 1HB LEU 11 1HB LEU 11 -5.868 1.806 2.526 85 2HB LEU 11 2HB LEU 11 -5.260 0.451 3.472 86 HG LEU 11 HG LEU 11 -4.510 0.630 0.570 87 1HD1 LEU 11 1HD1 LEU 11 -2.413 1.901 1.549 88 2HD1 LEU 11 2HD1 LEU 11 -3.554 2.416 2.792 89 3HD1 LEU 11 3HD1 LEU 11 -3.857 2.806 1.101 90 1HD2 LEU 11 1HD2 LEU 11 -2.435 -0.420 1.458 91 2HD2 LEU 11 2HD2 LEU 11 -3.869 -1.352 1.884 92 3HD2 LEU 11 3HD2 LEU 11 -3.098 -0.320 3.089 93 H LYS 12 H LYS 12 -8.459 1.313 2.883 94 HA LYS 12 HA LYS 12 -9.018 0.257 5.325 95 1HB LYS 12 1HB LYS 12 -10.975 1.151 3.200 96 2HB LYS 12 2HB LYS 12 -11.482 0.718 4.831 97 1HG LYS 12 1HG LYS 12 -9.611 2.395 5.584 98 2HG LYS 12 2HG LYS 12 -9.754 3.015 3.941 99 1HD LYS 12 1HD LYS 12 -11.969 2.801 5.997 100 2HD LYS 12 2HD LYS 12 -11.246 4.284 5.376 101 1HE LYS 12 1HE LYS 12 -11.994 3.424 3.044 102 2HE LYS 12 2HE LYS 12 -13.041 2.328 3.947 103 1HZ LYS 12 1HZ LYS 12 -13.148 5.030 4.902 104 2HZ LYS 12 2HZ LYS 12 -14.413 3.976 4.482 105 3HZ LYS 12 3HZ LYS 12 -13.631 4.892 3.282 106 H LYS 13 H LYS 13 -10.465 -1.001 2.310 107 HA LYS 13 HA LYS 13 -11.763 -3.248 3.362 108 1HB LYS 13 1HB LYS 13 -10.848 -2.336 0.737 109 2HB LYS 13 2HB LYS 13 -10.760 -4.088 0.899 110 1HG LYS 13 1HG LYS 13 -12.957 -3.548 0.064 111 2HG LYS 13 2HG LYS 13 -13.142 -4.044 1.746 112 1HD LYS 13 1HD LYS 13 -12.979 -1.551 2.337 113 2HD LYS 13 2HD LYS 13 -13.195 -1.242 0.614 114 1HE LYS 13 1HE LYS 13 -15.103 -2.765 2.413 115 2HE LYS 13 2HE LYS 13 -15.368 -1.160 1.730 116 1HZ LYS 13 1HZ LYS 13 -16.257 -2.175 -0.011 117 2HZ LYS 13 2HZ LYS 13 -15.777 -3.709 0.542 118 3HZ LYS 13 3HZ LYS 13 -14.718 -2.772 -0.401 119 H HIS 14 H HIS 14 -8.424 -2.818 2.312 120 HA HIS 14 HA HIS 14 -7.524 -5.481 2.689 121 1HB HIS 14 1HB HIS 14 -6.395 -3.498 1.475 122 2HB HIS 14 2HB HIS 14 -5.794 -3.050 3.068 123 HD1 HIS 14 HD1 HIS 14 -3.423 -3.835 3.150 124 HD2 HIS 14 HD2 HIS 14 -5.939 -6.702 1.465 125 HE1 HIS 14 HE1 HIS 14 -2.000 -5.894 2.755 126 HE2 HIS 14 HE2 HIS 14 -3.520 -7.650 1.727 127 H TYR 15 H TYR 15 -6.764 -2.631 4.658 128 HA TYR 15 HA TYR 15 -6.047 -4.262 6.929 129 1HB TYR 15 1HB TYR 15 -5.941 -1.355 6.215 130 2HB TYR 15 2HB TYR 15 -5.822 -1.817 7.911 131 HD1 TYR 15 HD1 TYR 15 -3.542 -1.286 8.315 132 HD2 TYR 15 HD2 TYR 15 -4.588 -3.831 5.018 133 HE1 TYR 15 HE1 TYR 15 -1.154 -1.882 8.019 134 HE2 TYR 15 HE2 TYR 15 -2.203 -4.427 4.723 135 HH TYR 15 HH TYR 15 0.228 -2.820 5.691 136 H GLU 16 H GLU 16 -8.914 -4.150 5.966 137 HA GLU 16 HA GLU 16 -10.603 -2.653 7.519 138 1HB GLU 16 1HB GLU 16 -11.279 -4.337 5.784 139 2HB GLU 16 2HB GLU 16 -10.979 -5.605 6.973 140 1HG GLU 16 1HG GLU 16 -13.335 -5.081 7.042 141 2HG GLU 16 2HG GLU 16 -12.601 -4.442 8.510 142 H LYS 17 H LYS 17 -8.967 -5.671 8.436 143 HA LYS 17 HA LYS 17 -10.055 -5.642 11.110 144 1HB LYS 17 1HB LYS 17 -7.937 -7.303 9.739 145 2HB LYS 17 2HB LYS 17 -8.336 -7.494 11.447 146 1HG LYS 17 1HG LYS 17 -10.685 -7.940 10.859 147 2HG LYS 17 2HG LYS 17 -10.300 -7.736 9.149 148 1HD LYS 17 1HD LYS 17 -8.923 -9.676 9.118 149 2HD LYS 17 2HD LYS 17 -8.872 -9.759 10.879 150 1HE LYS 17 1HE LYS 17 -11.258 -10.297 10.954 151 2HE LYS 17 2HE LYS 17 -11.373 -10.131 9.203 152 1HZ LYS 17 1HZ LYS 17 -11.076 -12.459 10.185 153 2HZ LYS 17 2HZ LYS 17 -9.454 -12.010 10.423 154 3HZ LYS 17 3HZ LYS 17 -10.114 -12.027 8.857 155 H THR 18 H THR 18 -6.979 -4.834 9.563 156 HA THR 18 HA THR 18 -5.697 -4.134 12.051 157 HB THR 18 HB THR 18 -4.649 -3.176 9.422 158 HG1 THR 18 HG1 THR 18 -5.016 -5.855 10.204 159 1HG2 THR 18 1HG2 THR 18 -3.140 -4.799 11.430 160 2HG2 THR 18 2HG2 THR 18 -3.583 -3.149 11.865 161 3HG2 THR 18 3HG2 THR 18 -2.588 -3.448 10.440 162 H ILE 19 H ILE 19 -8.101 -2.777 11.876 163 HA ILE 19 HA ILE 19 -7.976 -0.211 10.735 164 HB ILE 19 HB ILE 19 -10.089 -1.102 11.471 165 1HG1 ILE 19 1HG1 ILE 19 -9.370 1.195 13.315 166 2HG1 ILE 19 2HG1 ILE 19 -9.677 1.387 11.589 167 1HG2 ILE 19 1HG2 ILE 19 -10.508 -1.993 13.534 168 2HG2 ILE 19 2HG2 ILE 19 -9.541 -0.781 14.371 169 3HG2 ILE 19 3HG2 ILE 19 -8.754 -2.158 13.601 170 1HD1 ILE 19 1HD1 ILE 19 -11.744 1.848 12.744 171 2HD1 ILE 19 2HD1 ILE 19 -11.606 0.366 13.687 172 3HD1 ILE 19 3HD1 ILE 19 -11.919 0.280 11.954 173 H GLY 20 H GLY 20 -7.862 -0.759 14.267 174 1HA GLY 20 1HA GLY 20 -6.980 1.491 15.288 175 2HA GLY 20 2HA GLY 20 -6.207 -0.013 15.773 176 H PHE 21 H PHE 21 -4.580 -0.762 13.883 177 HA PHE 21 HA PHE 21 -2.300 0.711 14.013 178 1HB PHE 21 1HB PHE 21 -2.374 -1.511 12.990 179 2HB PHE 21 2HB PHE 21 -3.265 -0.863 11.612 180 HD1 PHE 21 HD1 PHE 21 -2.013 -0.402 9.707 181 HD2 PHE 21 HD2 PHE 21 -0.158 -0.038 13.563 182 HE1 PHE 21 HE1 PHE 21 0.126 0.212 8.618 183 HE2 PHE 21 HE2 PHE 21 1.979 0.579 12.475 184 HZ PHE 21 HZ PHE 21 2.122 0.702 10.001 185 H HIS 22 H HIS 22 -4.824 1.023 11.536 186 HA HIS 22 HA HIS 22 -3.607 3.160 10.115 187 1HB HIS 22 1HB HIS 22 -5.571 1.649 9.369 188 2HB HIS 22 2HB HIS 22 -6.587 2.713 10.339 189 HD1 HIS 22 HD1 HIS 22 -6.109 5.418 9.736 190 HD2 HIS 22 HD2 HIS 22 -5.312 2.580 6.788 191 HE1 HIS 22 HE1 HIS 22 -6.058 6.668 7.533 192 HE2 HIS 22 HE2 HIS 22 -5.576 4.951 5.726 193 H ASP 23 H ASP 23 -6.286 3.283 12.511 194 HA ASP 23 HA ASP 23 -6.356 6.086 12.649 195 1HB ASP 23 1HB ASP 23 -7.909 4.223 13.707 196 2HB ASP 23 2HB ASP 23 -6.852 4.429 15.101 197 H LYS 24 H LYS 24 -3.842 4.080 13.360 198 HA LYS 24 HA LYS 24 -2.748 5.654 15.585 199 1HB LYS 24 1HB LYS 24 -2.544 2.941 14.755 200 2HB LYS 24 2HB LYS 24 -0.938 3.651 14.613 201 1HG LYS 24 1HG LYS 24 -2.665 3.951 17.085 202 2HG LYS 24 2HG LYS 24 -1.482 2.660 16.887 203 1HD LYS 24 1HD LYS 24 0.333 4.116 16.974 204 2HD LYS 24 2HD LYS 24 -0.614 5.499 16.425 205 1HE LYS 24 1HE LYS 24 -1.022 4.162 19.112 206 2HE LYS 24 2HE LYS 24 0.018 5.566 18.874 207 1HZ LYS 24 1HZ LYS 24 -2.791 5.469 19.133 208 2HZ LYS 24 2HZ LYS 24 -2.388 6.130 17.620 209 3HZ LYS 24 3HZ LYS 24 -1.778 6.826 19.045 210 H TYR 25 H TYR 25 -1.684 4.706 12.271 211 HA TYR 25 HA TYR 25 -0.079 7.193 12.321 212 1HB TYR 25 1HB TYR 25 0.807 4.557 11.129 213 2HB TYR 25 2HB TYR 25 1.733 6.058 11.155 214 HD1 TYR 25 HD1 TYR 25 1.103 3.016 12.868 215 HD2 TYR 25 HD2 TYR 25 2.066 7.149 13.533 216 HE1 TYR 25 HE1 TYR 25 1.973 2.451 15.121 217 HE2 TYR 25 HE2 TYR 25 2.936 6.583 15.785 218 HH TYR 25 HH TYR 25 3.948 4.064 16.784 219 H ILE 26 H ILE 26 -0.973 4.644 9.969 220 HA ILE 26 HA ILE 26 -0.793 5.958 7.628 221 HB ILE 26 HB ILE 26 -3.294 4.410 8.272 222 1HG1 ILE 26 1HG1 ILE 26 -1.474 3.117 9.207 223 2HG1 ILE 26 2HG1 ILE 26 -1.910 2.386 7.664 224 1HG2 ILE 26 1HG2 ILE 26 -3.092 5.452 6.030 225 2HG2 ILE 26 2HG2 ILE 26 -3.067 3.690 5.941 226 3HG2 ILE 26 3HG2 ILE 26 -1.565 4.602 5.791 227 1HD1 ILE 26 1HD1 ILE 26 0.485 4.089 8.329 228 2HD1 ILE 26 2HD1 ILE 26 -0.070 3.923 6.664 229 3HD1 ILE 26 3HD1 ILE 26 0.439 2.500 7.569 230 H LYS 27 H LYS 27 -2.981 6.758 10.181 231 HA LYS 27 HA LYS 27 -4.746 8.362 8.547 232 1HB LYS 27 1HB LYS 27 -5.164 7.185 10.884 233 2HB LYS 27 2HB LYS 27 -4.553 8.713 11.514 234 1HG LYS 27 1HG LYS 27 -6.244 9.811 9.865 235 2HG LYS 27 2HG LYS 27 -6.996 8.217 9.820 236 1HD LYS 27 1HD LYS 27 -7.196 8.247 12.288 237 2HD LYS 27 2HD LYS 27 -6.481 9.859 12.316 238 1HE LYS 27 1HE LYS 27 -8.331 10.770 11.046 239 2HE LYS 27 2HE LYS 27 -9.008 9.161 10.799 240 1HZ LYS 27 1HZ LYS 27 -8.864 9.167 13.424 241 2HZ LYS 27 2HZ LYS 27 -10.213 9.781 12.593 242 3HZ LYS 27 3HZ LYS 27 -9.024 10.840 13.184 243 H ASP 28 H ASP 28 -4.821 10.495 10.633 244 HA ASP 28 HA ASP 28 -4.137 12.729 10.482 245 1HB ASP 28 1HB ASP 28 -3.096 11.842 12.487 246 2HB ASP 28 2HB ASP 28 -1.735 11.236 11.547 247 H ILE 29 H ILE 29 -0.931 11.401 9.903 248 HA ILE 29 HA ILE 29 0.096 13.227 8.224 249 HB ILE 29 HB ILE 29 0.392 10.233 7.911 250 1HG1 ILE 29 1HG1 ILE 29 2.121 12.247 9.381 251 2HG1 ILE 29 2HG1 ILE 29 0.916 11.229 10.170 252 1HG2 ILE 29 1HG2 ILE 29 1.912 12.590 6.790 253 2HG2 ILE 29 2HG2 ILE 29 1.278 11.187 5.931 254 3HG2 ILE 29 3HG2 ILE 29 2.677 11.014 6.988 255 1HD1 ILE 29 1HD1 ILE 29 2.949 10.034 10.414 256 2HD1 ILE 29 2HD1 ILE 29 3.444 10.379 8.756 257 3HD1 ILE 29 3HD1 ILE 29 2.133 9.242 9.066 258 H ASN 30 H ASN 30 0.458 13.266 5.874 259 HA ASN 30 HA ASN 30 -1.339 11.934 4.096 260 1HB ASN 30 1HB ASN 30 -2.559 14.015 3.382 261 2HB ASN 30 2HB ASN 30 -3.011 13.412 4.976 262 1HD2 ASN 30 1HD2 ASN 30 -3.324 15.191 6.322 263 2HD2 ASN 30 2HD2 ASN 30 -2.303 16.545 6.393 264 H ARG 31 H ARG 31 1.109 11.761 3.587 265 HA ARG 31 HA ARG 31 1.706 13.794 1.533 266 1HB ARG 31 1HB ARG 31 3.073 13.993 3.752 267 2HB ARG 31 2HB ARG 31 3.923 12.574 3.146 268 1HG ARG 31 1HG ARG 31 5.224 14.254 2.210 269 2HG ARG 31 2HG ARG 31 4.056 14.004 0.913 270 1HD ARG 31 1HD ARG 31 2.660 15.843 1.907 271 2HD ARG 31 2HD ARG 31 3.958 16.144 3.057 272 HE ARG 31 HE ARG 31 5.225 17.090 1.330 273 1HH1 ARG 31 1HH1 ARG 31 2.359 15.546 0.154 274 2HH1 ARG 31 2HH1 ARG 31 2.489 16.212 -1.440 275 1HH2 ARG 31 1HH2 ARG 31 5.401 17.966 -0.757 276 2HH2 ARG 31 2HH2 ARG 31 4.210 17.582 -1.956 277 H PHE 32 H PHE 32 1.735 12.824 -0.348 278 HA PHE 32 HA PHE 32 3.234 10.357 -0.762 279 1HB PHE 32 1HB PHE 32 1.425 9.079 -1.636 280 2HB PHE 32 2HB PHE 32 0.862 9.702 -0.085 281 HD1 PHE 32 HD1 PHE 32 0.096 9.406 -3.534 282 HD2 PHE 32 HD2 PHE 32 -0.345 12.049 -0.176 283 HE1 PHE 32 HE1 PHE 32 -1.794 10.539 -4.673 284 HE2 PHE 32 HE2 PHE 32 -2.235 13.181 -1.317 285 HZ PHE 32 HZ PHE 32 -2.959 12.425 -3.565 286 H VAL 33 H VAL 33 3.793 10.038 -2.935 287 HA VAL 33 HA VAL 33 2.799 11.926 -4.931 288 HB VAL 33 HB VAL 33 5.045 12.690 -5.551 289 1HG1 VAL 33 1HG1 VAL 33 5.357 14.234 -3.744 290 2HG1 VAL 33 2HG1 VAL 33 4.625 13.126 -2.585 291 3HG1 VAL 33 3HG1 VAL 33 3.627 13.898 -3.819 292 1HG2 VAL 33 1HG2 VAL 33 6.288 10.704 -4.732 293 2HG2 VAL 33 2HG2 VAL 33 5.938 11.182 -3.071 294 3HG2 VAL 33 3HG2 VAL 33 6.961 12.200 -4.085 295 H PHE 34 H PHE 34 2.997 11.231 -7.004 296 HA PHE 34 HA PHE 34 4.405 8.685 -7.490 297 1HB PHE 34 1HB PHE 34 2.556 7.678 -8.517 298 2HB PHE 34 2HB PHE 34 1.831 8.476 -7.122 299 HD1 PHE 34 HD1 PHE 34 0.309 10.306 -7.383 300 HD2 PHE 34 HD2 PHE 34 2.400 8.698 -10.771 301 HE1 PHE 34 HE1 PHE 34 -1.159 11.610 -8.906 302 HE2 PHE 34 HE2 PHE 34 0.934 10.001 -12.295 303 HZ PHE 34 HZ PHE 34 -0.845 11.455 -11.362 304 H LYS 35 H LYS 35 5.280 8.484 -9.558 305 HA LYS 35 HA LYS 35 5.112 10.925 -11.228 306 1HB LYS 35 1HB LYS 35 7.327 10.337 -10.039 307 2HB LYS 35 2HB LYS 35 7.450 9.022 -11.202 308 1HG LYS 35 1HG LYS 35 8.554 10.685 -12.378 309 2HG LYS 35 2HG LYS 35 6.907 10.964 -12.944 310 1HD LYS 35 1HD LYS 35 6.594 12.721 -11.269 311 2HD LYS 35 2HD LYS 35 8.194 12.402 -10.601 312 1HE LYS 35 1HE LYS 35 9.014 12.854 -13.055 313 2HE LYS 35 2HE LYS 35 7.462 13.677 -13.223 314 1HZ LYS 35 1HZ LYS 35 9.358 15.099 -12.469 315 2HZ LYS 35 2HZ LYS 35 9.355 14.228 -11.010 316 3HZ LYS 35 3HZ LYS 35 7.992 15.135 -11.464 317 H ASN 36 H ASN 36 6.553 7.754 -11.950 318 HA ASN 36 HA ASN 36 4.399 6.963 -13.686 319 1HB ASN 36 1HB ASN 36 6.925 8.121 -14.858 320 2HB ASN 36 2HB ASN 36 5.868 7.038 -15.760 321 1HD2 ASN 36 1HD2 ASN 36 3.689 7.828 -16.299 322 2HD2 ASN 36 2HD2 ASN 36 3.327 9.484 -16.227 323 H ASN 37 H ASN 37 6.042 5.793 -11.526 324 HA ASN 37 HA ASN 37 6.481 3.262 -12.721 325 1HB ASN 37 1HB ASN 37 8.957 3.153 -12.301 326 2HB ASN 37 2HB ASN 37 8.480 4.187 -13.647 327 1HD2 ASN 37 1HD2 ASN 37 10.963 4.661 -12.419 328 2HD2 ASN 37 2HD2 ASN 37 10.888 6.107 -11.533 329 H VAL 38 H VAL 38 6.974 5.408 -10.020 330 HA VAL 38 HA VAL 38 6.413 3.164 -8.215 331 HB VAL 38 HB VAL 38 8.834 4.943 -7.870 332 1HG1 VAL 38 1HG1 VAL 38 8.041 4.375 -5.707 333 2HG1 VAL 38 2HG1 VAL 38 9.277 3.167 -6.052 334 3HG1 VAL 38 3HG1 VAL 38 7.571 2.753 -6.215 335 1HG2 VAL 38 1HG2 VAL 38 10.027 2.716 -8.148 336 2HG2 VAL 38 2HG2 VAL 38 9.284 3.353 -9.615 337 3HG2 VAL 38 3HG2 VAL 38 8.495 2.055 -8.718 338 H LEU 39 H LEU 39 5.977 3.838 -6.003 339 HA LEU 39 HA LEU 39 5.037 6.635 -5.777 340 1HB LEU 39 1HB LEU 39 3.573 4.072 -5.168 341 2HB LEU 39 2HB LEU 39 3.169 5.560 -4.320 342 HG LEU 39 HG LEU 39 3.008 6.626 -6.659 343 1HD1 LEU 39 1HD1 LEU 39 3.436 3.773 -7.330 344 2HD1 LEU 39 2HD1 LEU 39 3.729 5.216 -8.297 345 3HD1 LEU 39 3HD1 LEU 39 2.104 4.550 -8.185 346 1HD2 LEU 39 1HD2 LEU 39 1.001 4.513 -5.829 347 2HD2 LEU 39 2HD2 LEU 39 0.673 5.877 -6.896 348 3HD2 LEU 39 3HD2 LEU 39 1.071 6.160 -5.203 349 H LEU 40 H LEU 40 5.718 7.648 -3.978 350 HA LEU 40 HA LEU 40 6.839 5.989 -1.802 351 1HB LEU 40 1HB LEU 40 8.130 7.882 -3.403 352 2HB LEU 40 2HB LEU 40 7.774 8.774 -1.929 353 HG LEU 40 HG LEU 40 8.984 6.025 -1.716 354 1HD1 LEU 40 1HD1 LEU 40 11.238 7.117 -1.772 355 2HD1 LEU 40 2HD1 LEU 40 10.467 8.592 -2.356 356 3HD1 LEU 40 3HD1 LEU 40 10.424 7.126 -3.336 357 1HD2 LEU 40 1HD2 LEU 40 9.778 6.843 0.364 358 2HD2 LEU 40 2HD2 LEU 40 8.145 7.495 0.236 359 3HD2 LEU 40 3HD2 LEU 40 9.536 8.524 -0.106 360 H ILE 41 H ILE 41 6.315 6.499 0.293 361 HA ILE 41 HA ILE 41 4.468 8.760 0.747 362 HB ILE 41 HB ILE 41 4.022 5.883 1.566 363 1HG1 ILE 41 1HG1 ILE 41 2.160 7.769 0.111 364 2HG1 ILE 41 2HG1 ILE 41 3.322 6.763 -0.752 365 1HG2 ILE 41 1HG2 ILE 41 1.905 6.918 2.608 366 2HG2 ILE 41 2HG2 ILE 41 2.759 8.458 2.512 367 3HG2 ILE 41 3HG2 ILE 41 3.419 7.145 3.484 368 1HD1 ILE 41 1HD1 ILE 41 1.226 5.722 1.174 369 2HD1 ILE 41 2HD1 ILE 41 2.352 4.744 0.234 370 3HD1 ILE 41 3HD1 ILE 41 1.096 5.672 -0.584 371 H LEU 42 H LEU 42 4.875 9.874 2.566 372 HA LEU 42 HA LEU 42 7.233 9.433 4.043 373 1HB LEU 42 1HB LEU 42 4.815 11.161 4.528 374 2HB LEU 42 2HB LEU 42 6.154 11.114 5.665 375 HG LEU 42 HG LEU 42 6.208 12.956 3.870 376 1HD1 LEU 42 1HD1 LEU 42 8.610 11.117 3.973 377 2HD1 LEU 42 2HD1 LEU 42 8.149 12.196 5.287 378 3HD1 LEU 42 3HD1 LEU 42 8.608 12.860 3.720 379 1HD2 LEU 42 1HD2 LEU 42 5.572 11.362 2.007 380 2HD2 LEU 42 2HD2 LEU 42 7.188 10.668 2.139 381 3HD2 LEU 42 3HD2 LEU 42 6.987 12.356 1.674 382 H LEU 43 H LEU 43 7.678 8.414 5.888 383 HA LEU 43 HA LEU 43 5.687 7.615 7.790 384 1HB LEU 43 1HB LEU 43 5.386 5.877 6.021 385 2HB LEU 43 2HB LEU 43 7.072 5.415 6.242 386 HG LEU 43 HG LEU 43 6.468 5.141 8.748 387 1HD1 LEU 43 1HD1 LEU 43 3.737 5.287 7.450 388 2HD1 LEU 43 2HD1 LEU 43 4.317 6.166 8.866 389 3HD1 LEU 43 3HD1 LEU 43 4.007 4.434 8.969 390 1HD2 LEU 43 1HD2 LEU 43 5.701 2.849 8.366 391 2HD2 LEU 43 2HD2 LEU 43 6.938 3.276 7.186 392 3HD2 LEU 43 3HD2 LEU 43 5.241 3.262 6.713 393 H GLU 44 H GLU 44 6.944 8.548 9.362 394 HA GLU 44 HA GLU 44 9.767 7.903 9.585 395 1HB GLU 44 1HB GLU 44 9.716 9.397 11.538 396 2HB GLU 44 2HB GLU 44 8.989 10.164 10.127 397 1HG GLU 44 1HG GLU 44 7.425 10.635 11.804 398 2HG GLU 44 2HG GLU 44 6.749 9.188 11.061 399 H ASN 45 H ASN 45 6.746 7.096 11.235 400 HA ASN 45 HA ASN 45 7.606 5.902 13.544 401 1HB ASN 45 1HB ASN 45 5.390 5.231 11.636 402 2HB ASN 45 2HB ASN 45 5.693 4.183 13.022 403 1HD2 ASN 45 1HD2 ASN 45 5.740 5.351 15.216 404 2HD2 ASN 45 2HD2 ASN 45 4.709 6.685 15.417 405 H GLU 46 H GLU 46 9.241 4.559 13.859 406 HA GLU 46 HA GLU 46 10.480 2.977 11.905 407 1HB GLU 46 1HB GLU 46 11.657 3.626 13.916 408 2HB GLU 46 2HB GLU 46 10.513 2.732 14.919 409 1HG GLU 46 1HG GLU 46 11.271 0.636 14.111 410 2HG GLU 46 2HG GLU 46 12.104 1.371 12.743 411 H PHE 47 H PHE 47 8.062 2.088 14.371 412 HA PHE 47 HA PHE 47 8.072 -0.687 13.797 413 1HB PHE 47 1HB PHE 47 6.349 1.197 15.305 414 2HB PHE 47 2HB PHE 47 5.553 -0.269 14.738 415 HD1 PHE 47 HD1 PHE 47 8.255 1.076 16.866 416 HD2 PHE 47 HD2 PHE 47 6.186 -2.460 15.576 417 HE1 PHE 47 HE1 PHE 47 9.313 -0.213 18.700 418 HE2 PHE 47 HE2 PHE 47 7.244 -3.749 17.412 419 HZ PHE 47 HZ PHE 47 8.809 -2.625 18.973 420 H ALA 48 H ALA 48 5.459 1.620 13.065 421 HA ALA 48 HA ALA 48 3.933 0.212 11.352 422 1HB ALA 48 1HB ALA 48 4.791 3.093 11.182 423 2HB ALA 48 2HB ALA 48 3.272 2.438 11.791 424 3HB ALA 48 3HB ALA 48 3.616 2.412 10.061 425 H ARG 49 H ARG 49 7.092 1.540 10.658 426 HA ARG 49 HA ARG 49 6.973 0.948 7.831 427 1HB ARG 49 1HB ARG 49 8.325 2.810 8.985 428 2HB ARG 49 2HB ARG 49 9.473 1.540 9.404 429 1HG ARG 49 1HG ARG 49 9.990 1.085 7.151 430 2HG ARG 49 2HG ARG 49 8.532 1.871 6.554 431 1HD ARG 49 1HD ARG 49 9.963 3.594 6.118 432 2HD ARG 49 2HD ARG 49 9.718 3.970 7.820 433 HE ARG 49 HE ARG 49 11.858 2.093 7.419 434 1HH1 ARG 49 1HH1 ARG 49 10.931 5.427 7.321 435 2HH1 ARG 49 2HH1 ARG 49 12.530 6.023 7.608 436 1HH2 ARG 49 1HH2 ARG 49 13.959 2.869 7.795 437 2HH2 ARG 49 2HH2 ARG 49 14.245 4.575 7.876 438 H ASN 50 H ASN 50 8.308 -0.530 10.734 439 HA ASN 50 HA ASN 50 10.002 -2.409 9.650 440 1HB ASN 50 1HB ASN 50 9.817 -2.081 12.039 441 2HB ASN 50 2HB ASN 50 8.162 -2.685 12.032 442 1HD2 ASN 50 1HD2 ASN 50 11.474 -3.762 11.065 443 2HD2 ASN 50 2HD2 ASN 50 11.225 -5.382 11.506 444 H SER 51 H SER 51 6.570 -2.815 10.468 445 HA SER 51 HA SER 51 6.269 -5.395 9.264 446 1HB SER 51 1HB SER 51 4.692 -3.545 10.828 447 2HB SER 51 2HB SER 51 3.738 -4.257 9.532 448 HG SER 51 HG SER 51 3.878 -6.136 10.480 449 H LEU 52 H LEU 52 5.214 -2.124 8.298 450 HA LEU 52 HA LEU 52 3.759 -2.775 6.043 451 1HB LEU 52 1HB LEU 52 5.409 -0.382 6.773 452 2HB LEU 52 2HB LEU 52 4.645 -0.477 5.188 453 HG LEU 52 HG LEU 52 3.141 -0.884 7.791 454 1HD1 LEU 52 1HD1 LEU 52 3.072 1.603 6.075 455 2HD1 LEU 52 2HD1 LEU 52 4.176 1.442 7.437 456 3HD1 LEU 52 3HD1 LEU 52 2.439 1.381 7.705 457 1HD2 LEU 52 1HD2 LEU 52 2.442 -0.861 4.886 458 2HD2 LEU 52 2HD2 LEU 52 1.299 -0.089 5.983 459 3HD2 LEU 52 3HD2 LEU 52 1.727 -1.783 6.208 460 H ASN 53 H ASN 53 7.261 -2.046 6.188 461 HA ASN 53 HA ASN 53 7.601 -2.693 3.411 462 1HB ASN 53 1HB ASN 53 9.062 -1.044 4.506 463 2HB ASN 53 2HB ASN 53 9.679 -2.298 5.581 464 1HD2 ASN 53 1HD2 ASN 53 8.970 -3.111 2.231 465 2HD2 ASN 53 2HD2 ASN 53 10.587 -3.242 1.731 466 H ASP 54 H ASP 54 7.486 -4.573 6.282 467 HA ASP 54 HA ASP 54 9.194 -6.697 5.403 468 1HB ASP 54 1HB ASP 54 7.033 -6.477 7.484 469 2HB ASP 54 2HB ASP 54 7.734 -8.041 7.085 470 H ASN 55 H ASN 55 5.977 -5.670 4.760 471 HA ASN 55 HA ASN 55 5.669 -7.663 2.674 472 1HB ASN 55 1HB ASN 55 4.771 -8.582 4.976 473 2HB ASN 55 2HB ASN 55 3.400 -7.529 4.634 474 1HD2 ASN 55 1HD2 ASN 55 1.924 -8.185 2.984 475 2HD2 ASN 55 2HD2 ASN 55 2.095 -9.632 2.112 476 H SER 56 H SER 56 5.935 -5.402 1.758 477 HA SER 56 HA SER 56 3.604 -3.673 1.938 478 1HB SER 56 1HB SER 56 4.866 -2.098 0.749 479 2HB SER 56 2HB SER 56 6.084 -2.954 1.692 480 HG SER 56 HG SER 56 6.762 -3.973 -0.084 481 H GLU 57 H GLU 57 2.788 -6.113 1.000 482 HA GLU 57 HA GLU 57 2.767 -6.227 -1.869 483 1HB GLU 57 1HB GLU 57 1.099 -8.017 -1.549 484 2HB GLU 57 2HB GLU 57 2.511 -8.257 -0.521 485 1HG GLU 57 1HG GLU 57 1.270 -7.142 1.349 486 2HG GLU 57 2HG GLU 57 -0.156 -7.087 0.314 487 H ILE 58 H ILE 58 1.885 -3.692 -0.704 488 HA ILE 58 HA ILE 58 -0.929 -3.432 -0.823 489 HB ILE 58 HB ILE 58 1.308 -1.429 -1.149 490 1HG1 ILE 58 1HG1 ILE 58 -0.666 -1.977 1.092 491 2HG1 ILE 58 2HG1 ILE 58 1.010 -2.526 1.071 492 1HG2 ILE 58 1HG2 ILE 58 -1.696 -1.043 -1.089 493 2HG2 ILE 58 2HG2 ILE 58 -0.566 -0.489 -2.323 494 3HG2 ILE 58 3HG2 ILE 58 -0.560 0.255 -0.726 495 1HD1 ILE 58 1HD1 ILE 58 0.910 -0.486 2.371 496 2HD1 ILE 58 2HD1 ILE 58 0.032 0.343 1.085 497 3HD1 ILE 58 3HD1 ILE 58 1.717 -0.120 0.845 498 H ILE 59 H ILE 59 1.422 -3.841 -3.286 499 HA ILE 59 HA ILE 59 0.165 -2.439 -5.410 500 HB ILE 59 HB ILE 59 2.405 -3.069 -5.780 501 1HG1 ILE 59 1HG1 ILE 59 0.931 -5.227 -7.303 502 2HG1 ILE 59 2HG1 ILE 59 0.717 -3.519 -7.689 503 1HG2 ILE 59 1HG2 ILE 59 1.498 -5.813 -4.890 504 2HG2 ILE 59 2HG2 ILE 59 2.724 -4.780 -4.155 505 3HG2 ILE 59 3HG2 ILE 59 3.039 -5.552 -5.708 506 1HD1 ILE 59 1HD1 ILE 59 2.494 -4.639 -9.065 507 2HD1 ILE 59 2HD1 ILE 59 3.410 -4.905 -7.582 508 3HD1 ILE 59 3HD1 ILE 59 3.087 -3.263 -8.136 509 H HIS 60 H HIS 60 -0.752 -5.147 -3.662 510 HA HIS 60 HA HIS 60 -2.126 -6.733 -5.608 511 1HB HIS 60 1HB HIS 60 -2.163 -6.449 -2.630 512 2HB HIS 60 2HB HIS 60 -3.462 -7.337 -3.423 513 HD1 HIS 60 HD1 HIS 60 0.355 -7.281 -3.408 514 HD2 HIS 60 HD2 HIS 60 -2.791 -9.952 -3.998 515 HE1 HIS 60 HE1 HIS 60 1.403 -9.566 -3.719 516 HE2 HIS 60 HE2 HIS 60 -0.501 -11.205 -4.079 517 H LEU 61 H LEU 61 -2.938 -3.751 -3.965 518 HA LEU 61 HA LEU 61 -5.604 -3.861 -5.250 519 1HB LEU 61 1HB LEU 61 -5.378 -2.132 -2.883 520 2HB LEU 61 2HB LEU 61 -6.629 -3.289 -3.322 521 HG LEU 61 HG LEU 61 -4.889 -5.107 -2.708 522 1HD1 LEU 61 1HD1 LEU 61 -2.839 -4.200 -2.269 523 2HD1 LEU 61 2HD1 LEU 61 -3.520 -3.877 -0.677 524 3HD1 LEU 61 3HD1 LEU 61 -3.504 -2.610 -1.900 525 1HD2 LEU 61 1HD2 LEU 61 -5.432 -4.702 -0.207 526 2HD2 LEU 61 2HD2 LEU 61 -6.783 -4.900 -1.320 527 3HD2 LEU 61 3HD2 LEU 61 -6.320 -3.289 -0.776 528 H ALA 62 H ALA 62 -2.956 -1.808 -4.114 529 HA ALA 62 HA ALA 62 -3.753 0.684 -4.964 530 1HB ALA 62 1HB ALA 62 -1.111 -0.687 -4.784 531 2HB ALA 62 2HB ALA 62 -1.695 0.743 -3.937 532 3HB ALA 62 3HB ALA 62 -1.188 0.863 -5.622 533 H GLU 63 H GLU 63 -2.652 -2.030 -6.932 534 HA GLU 63 HA GLU 63 -2.094 -0.732 -9.301 535 1HB GLU 63 1HB GLU 63 -2.878 -2.876 -10.424 536 2HB GLU 63 2HB GLU 63 -1.666 -3.084 -9.160 537 1HG GLU 63 1HG GLU 63 -3.323 -3.769 -7.565 538 2HG GLU 63 2HG GLU 63 -4.638 -3.297 -8.638 539 H SER 64 H SER 64 -5.021 -0.836 -7.659 540 HA SER 64 HA SER 64 -6.669 -0.387 -10.039 541 1HB SER 64 1HB SER 64 -8.409 -1.045 -8.756 542 2HB SER 64 2HB SER 64 -7.190 -1.579 -7.604 543 HG SER 64 HG SER 64 -8.486 0.947 -7.706 544 H LEU 65 H LEU 65 -5.994 1.561 -10.819 545 HA LEU 65 HA LEU 65 -7.114 3.900 -10.420 546 1HB LEU 65 1HB LEU 65 -5.565 3.435 -8.001 547 2HB LEU 65 2HB LEU 65 -4.971 4.853 -8.838 548 HG LEU 65 HG LEU 65 -6.713 5.507 -7.277 549 1HD1 LEU 65 1HD1 LEU 65 -8.257 5.771 -9.786 550 2HD1 LEU 65 2HD1 LEU 65 -6.568 6.270 -9.897 551 3HD1 LEU 65 3HD1 LEU 65 -7.631 7.015 -8.705 552 1HD2 LEU 65 1HD2 LEU 65 -8.098 3.646 -6.951 553 2HD2 LEU 65 2HD2 LEU 65 -8.279 3.345 -8.678 554 3HD2 LEU 65 3HD2 LEU 65 -9.118 4.697 -7.929 555 H TYR 66 H TYR 66 -3.888 2.498 -10.525 556 HA TYR 66 HA TYR 66 -3.150 4.467 -12.616 557 1HB TYR 66 1HB TYR 66 -1.208 2.898 -10.920 558 2HB TYR 66 2HB TYR 66 -0.881 4.305 -11.926 559 HD1 TYR 66 HD1 TYR 66 -1.148 6.511 -11.087 560 HD2 TYR 66 HD2 TYR 66 -2.657 3.169 -8.847 561 HE1 TYR 66 HE1 TYR 66 -1.572 8.000 -9.149 562 HE2 TYR 66 HE2 TYR 66 -3.086 4.661 -6.907 563 HH TYR 66 HH TYR 66 -2.989 6.727 -6.130 564 H GLU 67 H GLU 67 -1.086 3.350 -13.825 565 HA GLU 67 HA GLU 67 -2.268 1.066 -15.180 566 1HB GLU 67 1HB GLU 67 0.348 2.472 -15.731 567 2HB GLU 67 2HB GLU 67 -0.495 1.353 -16.800 568 1HG GLU 67 1HG GLU 67 -1.770 3.907 -15.804 569 2HG GLU 67 2HG GLU 67 -0.834 3.839 -17.295 570 H GLY 68 H GLY 68 -2.091 -0.697 -13.874 571 1HA GLY 68 1HA GLY 68 -1.096 -2.344 -12.572 572 2HA GLY 68 2HA GLY 68 -0.022 -2.417 -13.965 573 H ILE 69 H ILE 69 -0.525 -0.658 -10.915 574 HA ILE 69 HA ILE 69 1.750 0.745 -10.559 575 HB ILE 69 HB ILE 69 0.385 -1.083 -8.577 576 1HG1 ILE 69 1HG1 ILE 69 -0.682 1.061 -9.681 577 2HG1 ILE 69 2HG1 ILE 69 -0.851 0.792 -7.949 578 1HG2 ILE 69 1HG2 ILE 69 2.539 -0.826 -7.643 579 2HG2 ILE 69 2HG2 ILE 69 1.595 0.461 -6.891 580 3HG2 ILE 69 3HG2 ILE 69 2.689 0.833 -8.223 581 1HD1 ILE 69 1HD1 ILE 69 0.752 2.414 -7.406 582 2HD1 ILE 69 2HD1 ILE 69 -0.068 3.141 -8.787 583 3HD1 ILE 69 3HD1 ILE 69 1.495 2.357 -9.003 584 H LYS 70 H LYS 70 3.894 0.415 -10.110 585 HA LYS 70 HA LYS 70 4.996 -2.183 -10.796 586 1HB LYS 70 1HB LYS 70 6.587 0.162 -9.801 587 2HB LYS 70 2HB LYS 70 7.059 -1.096 -10.943 588 1HG LYS 70 1HG LYS 70 5.073 1.144 -11.422 589 2HG LYS 70 2HG LYS 70 6.640 0.930 -12.202 590 1HD LYS 70 1HD LYS 70 5.763 -1.310 -13.054 591 2HD LYS 70 2HD LYS 70 4.167 -0.782 -12.519 592 1HE LYS 70 1HE LYS 70 4.509 1.311 -13.910 593 2HE LYS 70 2HE LYS 70 5.944 0.539 -14.584 594 1HZ LYS 70 1HZ LYS 70 4.388 -1.390 -15.097 595 2HZ LYS 70 2HZ LYS 70 4.249 0.003 -16.061 596 3HZ LYS 70 3HZ LYS 70 3.121 -0.295 -14.826 597 H SER 71 H SER 71 4.700 -0.085 -7.973 598 HA SER 71 HA SER 71 4.671 -2.146 -6.087 599 1HB SER 71 1HB SER 71 6.925 -2.692 -6.465 600 2HB SER 71 2HB SER 71 7.392 -1.008 -6.684 601 HG SER 71 HG SER 71 7.730 -2.267 -4.543 602 H VAL 72 H VAL 72 5.578 -1.122 -3.839 603 HA VAL 72 HA VAL 72 4.945 1.733 -3.657 604 HB VAL 72 HB VAL 72 3.500 -0.250 -1.890 605 1HG1 VAL 72 1HG1 VAL 72 3.696 2.022 -1.020 606 2HG1 VAL 72 2HG1 VAL 72 2.031 1.738 -1.525 607 3HG1 VAL 72 3HG1 VAL 72 3.112 2.686 -2.546 608 1HG2 VAL 72 1HG2 VAL 72 1.491 0.256 -3.324 609 2HG2 VAL 72 2HG2 VAL 72 2.725 -0.694 -4.151 610 3HG2 VAL 72 3HG2 VAL 72 2.572 1.032 -4.481 611 H ASN 73 H ASN 73 5.931 2.748 -1.988 612 HA ASN 73 HA ASN 73 7.325 1.167 0.066 613 1HB ASN 73 1HB ASN 73 8.867 1.360 -1.892 614 2HB ASN 73 2HB ASN 73 8.791 3.113 -1.722 615 1HD2 ASN 73 1HD2 ASN 73 10.473 0.334 -0.680 616 2HD2 ASN 73 2HD2 ASN 73 11.282 1.031 0.640 617 H PHE 74 H PHE 74 8.262 2.472 1.749 618 HA PHE 74 HA PHE 74 7.312 5.242 1.956 619 1HB PHE 74 1HB PHE 74 6.882 3.842 4.471 620 2HB PHE 74 2HB PHE 74 5.764 4.848 3.551 621 HD1 PHE 74 HD1 PHE 74 3.871 3.834 2.632 622 HD2 PHE 74 HD2 PHE 74 7.367 1.455 3.387 623 HE1 PHE 74 HE1 PHE 74 2.644 1.803 1.912 624 HE2 PHE 74 HE2 PHE 74 6.139 -0.576 2.669 625 HZ PHE 74 HZ PHE 74 3.777 -0.402 1.932 626 H VAL 75 H VAL 75 8.557 6.516 3.316 627 HA VAL 75 HA VAL 75 10.760 5.262 4.801 628 HB VAL 75 HB VAL 75 12.431 6.681 3.765 629 1HG1 VAL 75 1HG1 VAL 75 10.781 5.278 1.645 630 2HG1 VAL 75 2HG1 VAL 75 11.907 4.474 2.736 631 3HG1 VAL 75 3HG1 VAL 75 12.503 5.645 1.559 632 1HG2 VAL 75 1HG2 VAL 75 11.343 8.660 3.140 633 2HG2 VAL 75 2HG2 VAL 75 10.010 7.803 2.373 634 3HG2 VAL 75 3HG2 VAL 75 11.584 7.879 1.579 635 H ASN 76 H ASN 76 12.072 7.904 5.009 636 HA ASN 76 HA ASN 76 10.096 9.235 6.770 637 1HB ASN 76 1HB ASN 76 11.789 8.232 8.141 638 2HB ASN 76 2HB ASN 76 13.071 8.915 7.154 639 1HD2 ASN 76 1HD2 ASN 76 14.044 10.495 8.444 640 2HD2 ASN 76 2HD2 ASN 76 13.197 11.693 9.297 641 H GLU 77 H GLU 77 10.839 11.487 7.301 642 HA GLU 77 HA GLU 77 10.455 13.210 5.279 643 1HB GLU 77 1HB GLU 77 12.341 13.673 7.597 644 2HB GLU 77 2HB GLU 77 11.616 14.935 6.599 645 1HG GLU 77 1HG GLU 77 9.380 14.255 7.291 646 2HG GLU 77 2HG GLU 77 10.042 12.901 8.205 647 H GLN 78 H GLN 78 13.790 12.976 6.515 648 HA GLN 78 HA GLN 78 15.020 14.143 4.345 649 1HB GLN 78 1HB GLN 78 16.145 11.947 6.101 650 2HB GLN 78 2HB GLN 78 17.087 13.061 5.109 651 1HG GLN 78 1HG GLN 78 16.443 14.940 6.420 652 2HG GLN 78 2HG GLN 78 15.152 14.040 7.213 653 1HE2 GLN 78 1HE2 GLN 78 16.304 11.771 8.159 654 2HE2 GLN 78 2HE2 GLN 78 17.620 12.114 9.175 655 H ASP 79 H ASP 79 14.640 10.641 4.907 656 HA ASP 79 HA ASP 79 15.826 9.691 2.599 657 1HB ASP 79 1HB ASP 79 13.426 8.689 4.124 658 2HB ASP 79 2HB ASP 79 14.130 7.802 2.771 659 H PHE 80 H PHE 80 12.297 10.186 2.957 660 HA PHE 80 HA PHE 80 11.586 9.935 0.288 661 1HB PHE 80 1HB PHE 80 9.732 10.093 1.656 662 2HB PHE 80 2HB PHE 80 10.452 11.349 2.660 663 HD1 PHE 80 HD1 PHE 80 8.760 10.668 -0.571 664 HD2 PHE 80 HD2 PHE 80 10.209 13.682 2.125 665 HE1 PHE 80 HE1 PHE 80 7.533 12.402 -1.848 666 HE2 PHE 80 HE2 PHE 80 8.982 15.416 0.846 667 HZ PHE 80 HZ PHE 80 7.645 14.776 -1.141 668 H PHE 81 H PHE 81 12.868 12.697 2.057 669 HA PHE 81 HA PHE 81 12.554 14.618 -0.023 670 1HB PHE 81 1HB PHE 81 12.936 15.038 2.480 671 2HB PHE 81 2HB PHE 81 14.645 14.767 2.136 672 HD1 PHE 81 HD1 PHE 81 15.849 16.231 0.522 673 HD2 PHE 81 HD2 PHE 81 11.803 17.024 1.723 674 HE1 PHE 81 HE1 PHE 81 16.034 18.535 -0.378 675 HE2 PHE 81 HE2 PHE 81 11.989 19.328 0.826 676 HZ PHE 81 HZ PHE 81 14.105 20.085 -0.223 677 H PHE 82 H PHE 82 14.931 12.140 0.637 678 HA PHE 82 HA PHE 82 17.060 13.292 -0.880 679 1HB PHE 82 1HB PHE 82 17.409 11.524 0.827 680 2HB PHE 82 2HB PHE 82 16.541 10.386 -0.204 681 HD1 PHE 82 HD1 PHE 82 17.513 9.556 -2.278 682 HD2 PHE 82 HD2 PHE 82 19.619 12.375 0.185 683 HE1 PHE 82 HE1 PHE 82 19.597 9.105 -3.544 684 HE2 PHE 82 HE2 PHE 82 21.703 11.924 -1.080 685 HZ PHE 82 HZ PHE 82 21.692 10.289 -2.946 686 H ASN 83 H ASN 83 14.350 11.162 -1.574 687 HA ASN 83 HA ASN 83 15.184 10.544 -4.256 688 1HB ASN 83 1HB ASN 83 13.635 9.098 -2.944 689 2HB ASN 83 2HB ASN 83 12.423 10.374 -3.021 690 1HD2 ASN 83 1HD2 ASN 83 13.131 7.515 -4.462 691 2HD2 ASN 83 2HD2 ASN 83 12.554 7.819 -6.029 692 H LEU 84 H LEU 84 12.919 12.818 -2.758 693 HA LEU 84 HA LEU 84 12.021 13.967 -5.208 694 1HB LEU 84 1HB LEU 84 10.623 14.087 -3.239 695 2HB LEU 84 2HB LEU 84 11.896 14.897 -2.328 696 HG LEU 84 HG LEU 84 11.745 16.855 -3.785 697 1HD1 LEU 84 1HD1 LEU 84 9.823 15.077 -5.295 698 2HD1 LEU 84 2HD1 LEU 84 11.195 15.989 -5.921 699 3HD1 LEU 84 3HD1 LEU 84 9.729 16.833 -5.428 700 1HD2 LEU 84 1HD2 LEU 84 10.224 16.765 -1.867 701 2HD2 LEU 84 2HD2 LEU 84 9.041 15.869 -2.820 702 3HD2 LEU 84 3HD2 LEU 84 9.417 17.544 -3.227 703 H ALA 85 H ALA 85 14.833 14.312 -3.277 704 HA ALA 85 HA ALA 85 15.434 16.977 -4.299 705 1HB ALA 85 1HB ALA 85 15.946 16.583 -1.966 706 2HB ALA 85 2HB ALA 85 17.453 16.792 -2.855 707 3HB ALA 85 3HB ALA 85 16.925 15.177 -2.383 708 H LYS 86 H LYS 86 16.099 13.680 -5.037 709 HA LYS 86 HA LYS 86 18.647 13.898 -6.202 710 1HB LYS 86 1HB LYS 86 17.633 11.743 -5.694 711 2HB LYS 86 2HB LYS 86 16.360 12.039 -6.879 712 1HG LYS 86 1HG LYS 86 17.895 11.949 -8.701 713 2HG LYS 86 2HG LYS 86 19.290 12.053 -7.626 714 1HD LYS 86 1HD LYS 86 18.996 9.741 -8.389 715 2HD LYS 86 2HD LYS 86 18.682 9.847 -6.658 716 1HE LYS 86 1HE LYS 86 16.342 9.695 -6.953 717 2HE LYS 86 2HE LYS 86 16.445 10.096 -8.668 718 1HZ LYS 86 1HZ LYS 86 17.132 7.570 -7.314 719 2HZ LYS 86 2HZ LYS 86 17.833 7.960 -8.812 720 3HZ LYS 86 3HZ LYS 86 16.145 7.820 -8.671 721 H LEU 87 H LEU 87 15.407 14.325 -7.616 722 HA LEU 87 HA LEU 87 15.875 14.477 -10.274 723 1HB LEU 87 1HB LEU 87 14.271 16.584 -10.171 724 2HB LEU 87 2HB LEU 87 13.681 14.974 -9.766 725 HG LEU 87 HG LEU 87 13.995 15.400 -7.392 726 1HD1 LEU 87 1HD1 LEU 87 15.922 16.759 -7.253 727 2HD1 LEU 87 2HD1 LEU 87 14.618 17.841 -6.771 728 3HD1 LEU 87 3HD1 LEU 87 15.284 17.935 -8.401 729 1HD2 LEU 87 1HD2 LEU 87 12.465 17.456 -7.185 730 2HD2 LEU 87 2HD2 LEU 87 11.861 16.121 -8.167 731 3HD2 LEU 87 3HD2 LEU 87 12.541 17.550 -8.944 732 H GLU 88 H GLU 88 16.218 16.324 -11.746 733 HA GLU 88 HA GLU 88 17.977 18.429 -10.671 734 1HB GLU 88 1HB GLU 88 18.653 16.477 -12.876 735 2HB GLU 88 2HB GLU 88 19.466 18.034 -12.711 736 1HG GLU 88 1HG GLU 88 19.267 16.067 -10.423 737 2HG GLU 88 2HG GLU 88 20.602 16.045 -11.573 738 H GLU 89 H GLU 89 18.690 19.623 -13.034 739 HA GLU 89 HA GLU 89 16.337 21.056 -13.722 740 1HB GLU 89 1HB GLU 89 18.641 22.004 -13.815 741 2HB GLU 89 2HB GLU 89 18.977 20.972 -15.204 742 1HG GLU 89 1HG GLU 89 18.331 23.173 -16.009 743 2HG GLU 89 2HG GLU 89 17.046 22.032 -16.395 744 H ASN 90 H ASN 90 18.197 18.520 -15.347 745 HA ASN 90 HA ASN 90 16.186 18.411 -17.500 746 1HB ASN 90 1HB ASN 90 17.852 16.853 -18.567 747 2HB ASN 90 2HB ASN 90 18.442 18.495 -18.319 748 1HD2 ASN 90 1HD2 ASN 90 20.449 18.626 -17.310 749 2HD2 ASN 90 2HD2 ASN 90 21.127 17.413 -16.334 750 H SER 91 H SER 91 15.090 16.503 -17.989 751 HA SER 91 HA SER 91 15.248 14.346 -15.968 752 1HB SER 91 1HB SER 91 12.692 15.341 -17.239 753 2HB SER 91 2HB SER 91 12.853 14.159 -15.943 754 HG SER 91 HG SER 91 12.380 16.132 -15.024 755 H ARG 92 H ARG 92 16.708 14.055 -18.191 756 HA ARG 92 HA ARG 92 17.061 12.747 -20.047 757 1HB ARG 92 1HB ARG 92 15.005 11.237 -18.466 758 2HB ARG 92 2HB ARG 92 15.491 10.638 -20.051 759 1HG ARG 92 1HG ARG 92 17.651 11.434 -18.133 760 2HG ARG 92 2HG ARG 92 16.799 9.918 -17.836 761 1HD ARG 92 1HD ARG 92 18.942 9.979 -19.399 762 2HD ARG 92 2HD ARG 92 17.579 8.933 -19.781 763 HE ARG 92 HE ARG 92 16.990 11.278 -21.065 764 1HH1 ARG 92 1HH1 ARG 92 19.686 9.115 -20.965 765 2HH1 ARG 92 2HH1 ARG 92 20.193 9.452 -22.587 766 1HH2 ARG 92 1HH2 ARG 92 17.646 11.723 -23.193 767 2HH2 ARG 92 2HH2 ARG 92 19.037 10.926 -23.849 768 H ASP 93 H ASP 93 16.380 14.372 -21.524 769 HA ASP 93 HA ASP 93 14.193 13.549 -23.199 770 1HB ASP 93 1HB ASP 93 12.907 15.640 -23.037 771 2HB ASP 93 2HB ASP 93 12.938 14.793 -21.492 772 H THR 94 H THR 94 14.175 16.683 -23.786 773 HA THR 94 HA THR 94 16.474 16.533 -25.639 774 HB THR 94 HB THR 94 14.205 16.777 -26.651 775 HG1 THR 94 HG1 THR 94 16.328 17.858 -27.340 776 1HG2 THR 94 1HG2 THR 94 12.798 18.546 -26.175 777 2HG2 THR 94 2HG2 THR 94 14.124 19.612 -25.711 778 3HG2 THR 94 3HG2 THR 94 13.568 18.361 -24.598 779 H LEU 95 H LEU 95 15.747 17.764 -22.705 780 HA LEU 95 HA LEU 95 16.842 20.438 -23.068 781 1HB LEU 95 1HB LEU 95 15.708 18.882 -20.768 782 2HB LEU 95 2HB LEU 95 16.720 20.287 -20.437 783 HG LEU 95 HG LEU 95 15.263 21.712 -21.768 784 1HD1 LEU 95 1HD1 LEU 95 13.091 20.651 -22.626 785 2HD1 LEU 95 2HD1 LEU 95 13.888 19.095 -22.400 786 3HD1 LEU 95 3HD1 LEU 95 14.557 20.272 -23.529 787 1HD2 LEU 95 1HD2 LEU 95 13.772 19.918 -19.829 788 2HD2 LEU 95 2HD2 LEU 95 13.136 21.442 -20.447 789 3HD2 LEU 95 3HD2 LEU 95 14.592 21.434 -19.453 790 H TYR 96 H TYR 96 18.324 17.710 -23.417 791 HA TYR 96 HA TYR 96 20.426 17.837 -21.447 792 1HB TYR 96 1HB TYR 96 19.601 15.765 -22.763 793 2HB TYR 96 2HB TYR 96 20.607 16.376 -24.076 794 HD1 TYR 96 HD1 TYR 96 23.072 16.738 -23.688 795 HD2 TYR 96 HD2 TYR 96 20.566 14.715 -20.847 796 HE1 TYR 96 HE1 TYR 96 25.083 15.788 -22.589 797 HE2 TYR 96 HE2 TYR 96 22.575 13.766 -19.749 798 HH TYR 96 HH TYR 96 24.901 14.132 -19.543 799 H GLN 97 H GLN 97 21.495 19.769 -21.518 800 HA GLN 97 HA GLN 97 23.009 20.330 -23.993 801 1HB GLN 97 1HB GLN 97 22.719 22.811 -23.295 802 2HB GLN 97 2HB GLN 97 21.373 22.007 -24.102 803 1HG GLN 97 1HG GLN 97 20.186 21.704 -22.070 804 2HG GLN 97 2HG GLN 97 21.610 22.060 -21.093 805 1HE2 GLN 97 1HE2 GLN 97 21.539 24.194 -23.714 806 2HE2 GLN 97 2HE2 GLN 97 20.788 25.507 -22.945 807 H ASN 98 H ASN 98 24.792 19.286 -22.985 808 HA ASN 98 HA ASN 98 25.920 20.672 -20.631 809 1HB ASN 98 1HB ASN 98 26.586 17.974 -21.832 810 2HB ASN 98 2HB ASN 98 27.363 18.676 -20.415 811 1HD2 ASN 98 1HD2 ASN 98 24.397 19.840 -19.965 812 2HD2 ASN 98 2HD2 ASN 98 23.660 18.558 -19.132 813 H SER 99 H SER 99 26.579 19.686 -23.951 814 HA SER 99 HA SER 99 28.448 21.810 -24.336 815 1HB SER 99 1HB SER 99 30.474 20.553 -24.626 816 2HB SER 99 2HB SER 99 29.834 20.158 -23.034 817 HG SER 99 HG SER 99 28.928 18.600 -25.135 818 H GLY 100 H GLY 100 28.577 22.290 -26.459 819 1HA GLY 100 1HA GLY 100 26.989 20.764 -28.320 820 2HA GLY 100 2HA GLY 100 27.871 22.249 -28.667 Start of MODEL 12 1 H MET 1 H MET 1 -8.047 13.971 -6.676 2 HA MET 1 HA MET 1 -9.831 14.980 -5.621 3 1HB MET 1 1HB MET 1 -12.169 14.543 -6.927 4 2HB MET 1 2HB MET 1 -11.194 15.991 -7.168 5 1HG MET 1 1HG MET 1 -10.290 15.208 -9.185 6 2HG MET 1 2HG MET 1 -10.665 13.525 -8.813 7 1HE MET 1 1HE MET 1 -12.187 12.685 -10.846 8 2HE MET 1 2HE MET 1 -11.129 13.989 -11.377 9 3HE MET 1 3HE MET 1 -12.815 13.969 -11.888 10 H GLU 2 H GLU 2 -11.190 12.348 -7.614 11 HA GLU 2 HA GLU 2 -11.992 10.910 -5.229 12 1HB GLU 2 1HB GLU 2 -12.239 10.224 -8.167 13 2HB GLU 2 2HB GLU 2 -12.943 9.287 -6.849 14 1HG GLU 2 1HG GLU 2 -14.093 11.452 -6.117 15 2HG GLU 2 2HG GLU 2 -13.610 12.116 -7.676 16 H GLN 3 H GLN 3 -9.290 10.959 -7.344 17 HA GLN 3 HA GLN 3 -8.401 8.344 -7.375 18 1HB GLN 3 1HB GLN 3 -7.189 10.026 -8.591 19 2HB GLN 3 2HB GLN 3 -6.832 10.918 -7.113 20 1HG GLN 3 1HG GLN 3 -5.937 8.058 -7.366 21 2HG GLN 3 2HG GLN 3 -5.006 9.331 -8.153 22 1HE2 GLN 3 1HE2 GLN 3 -4.396 7.602 -5.686 23 2HE2 GLN 3 2HE2 GLN 3 -4.003 8.732 -4.481 24 H PHE 4 H PHE 4 -7.242 10.755 -5.015 25 HA PHE 4 HA PHE 4 -5.980 9.101 -3.216 26 1HB PHE 4 1HB PHE 4 -6.664 11.745 -3.265 27 2HB PHE 4 2HB PHE 4 -7.713 11.157 -1.978 28 HD1 PHE 4 HD1 PHE 4 -6.068 8.967 -0.844 29 HD2 PHE 4 HD2 PHE 4 -4.944 12.903 -2.135 30 HE1 PHE 4 HE1 PHE 4 -4.138 8.924 0.713 31 HE2 PHE 4 HE2 PHE 4 -3.013 12.863 -0.578 32 HZ PHE 4 HZ PHE 4 -2.611 10.873 0.846 33 H ASN 5 H ASN 5 -9.351 10.157 -3.015 34 HA ASN 5 HA ASN 5 -10.142 8.473 -0.924 35 1HB ASN 5 1HB ASN 5 -11.337 10.464 -2.377 36 2HB ASN 5 2HB ASN 5 -12.229 9.049 -2.927 37 1HD2 ASN 5 1HD2 ASN 5 -14.034 8.638 -1.652 38 2HD2 ASN 5 2HD2 ASN 5 -14.158 8.984 0.005 39 H ALA 6 H ALA 6 -9.649 7.766 -4.297 40 HA ALA 6 HA ALA 6 -11.247 5.345 -4.249 41 1HB ALA 6 1HB ALA 6 -10.232 4.977 -6.510 42 2HB ALA 6 2HB ALA 6 -9.311 6.464 -6.283 43 3HB ALA 6 3HB ALA 6 -11.071 6.519 -6.345 44 H PHE 7 H PHE 7 -7.755 5.960 -4.748 45 HA PHE 7 HA PHE 7 -6.918 3.303 -4.463 46 1HB PHE 7 1HB PHE 7 -5.153 4.524 -5.232 47 2HB PHE 7 2HB PHE 7 -5.642 5.973 -4.370 48 HD1 PHE 7 HD1 PHE 7 -3.819 2.773 -4.123 49 HD2 PHE 7 HD2 PHE 7 -4.888 6.410 -2.102 50 HE1 PHE 7 HE1 PHE 7 -2.118 2.305 -2.380 51 HE2 PHE 7 HE2 PHE 7 -3.185 5.942 -0.360 52 HZ PHE 7 HZ PHE 7 -1.801 3.889 -0.498 53 H LYS 8 H LYS 8 -7.111 5.898 -2.042 54 HA LYS 8 HA LYS 8 -6.207 4.451 0.184 55 1HB LYS 8 1HB LYS 8 -6.570 6.937 0.006 56 2HB LYS 8 2HB LYS 8 -8.288 6.624 0.254 57 1HG LYS 8 1HG LYS 8 -7.888 5.645 2.412 58 2HG LYS 8 2HG LYS 8 -6.143 5.610 2.142 59 1HD LYS 8 1HD LYS 8 -6.394 7.510 3.492 60 2HD LYS 8 2HD LYS 8 -6.396 8.211 1.875 61 1HE LYS 8 1HE LYS 8 -8.957 7.964 1.953 62 2HE LYS 8 2HE LYS 8 -8.760 7.683 3.681 63 1HZ LYS 8 1HZ LYS 8 -8.948 9.920 3.714 64 2HZ LYS 8 2HZ LYS 8 -8.357 10.118 2.133 65 3HZ LYS 8 3HZ LYS 8 -7.280 9.843 3.418 66 H SER 9 H SER 9 -9.586 5.093 -0.841 67 HA SER 9 HA SER 9 -10.803 3.682 1.202 68 1HB SER 9 1HB SER 9 -11.704 4.091 -1.658 69 2HB SER 9 2HB SER 9 -12.726 3.363 -0.422 70 HG SER 9 HG SER 9 -11.501 5.682 0.373 71 H LEU 10 H LEU 10 -9.060 2.505 -1.550 72 HA LEU 10 HA LEU 10 -10.143 -0.118 -1.630 73 1HB LEU 10 1HB LEU 10 -8.436 1.199 -3.233 74 2HB LEU 10 2HB LEU 10 -7.257 0.308 -2.274 75 HG LEU 10 HG LEU 10 -9.562 -0.862 -3.864 76 1HD1 LEU 10 1HD1 LEU 10 -7.764 -0.373 -5.339 77 2HD1 LEU 10 2HD1 LEU 10 -7.566 -2.080 -4.943 78 3HD1 LEU 10 3HD1 LEU 10 -6.553 -0.870 -4.156 79 1HD2 LEU 10 1HD2 LEU 10 -9.426 -2.258 -1.964 80 2HD2 LEU 10 2HD2 LEU 10 -7.677 -2.068 -1.837 81 3HD2 LEU 10 3HD2 LEU 10 -8.368 -3.054 -3.125 82 H LEU 11 H LEU 11 -7.582 1.437 0.245 83 HA LEU 11 HA LEU 11 -6.592 -0.949 1.444 84 1HB LEU 11 1HB LEU 11 -6.469 1.968 2.252 85 2HB LEU 11 2HB LEU 11 -5.750 0.698 3.239 86 HG LEU 11 HG LEU 11 -5.086 0.837 0.308 87 1HD1 LEU 11 1HD1 LEU 11 -3.225 2.358 0.802 88 2HD1 LEU 11 2HD1 LEU 11 -3.733 2.461 2.488 89 3HD1 LEU 11 3HD1 LEU 11 -4.753 3.128 1.216 90 1HD2 LEU 11 1HD2 LEU 11 -2.923 -0.071 1.186 91 2HD2 LEU 11 2HD2 LEU 11 -4.300 -1.095 1.592 92 3HD2 LEU 11 3HD2 LEU 11 -3.600 -0.032 2.814 93 H LYS 12 H LYS 12 -8.988 1.465 2.543 94 HA LYS 12 HA LYS 12 -9.656 0.556 5.032 95 1HB LYS 12 1HB LYS 12 -11.242 1.638 2.764 96 2HB LYS 12 2HB LYS 12 -12.164 0.809 4.016 97 1HG LYS 12 1HG LYS 12 -11.115 2.243 5.736 98 2HG LYS 12 2HG LYS 12 -10.209 3.082 4.477 99 1HD LYS 12 1HD LYS 12 -12.138 4.074 3.569 100 2HD LYS 12 2HD LYS 12 -13.213 2.898 4.325 101 1HE LYS 12 1HE LYS 12 -11.532 4.777 5.985 102 2HE LYS 12 2HE LYS 12 -13.114 5.258 5.371 103 1HZ LYS 12 1HZ LYS 12 -12.650 3.861 7.658 104 2HZ LYS 12 2HZ LYS 12 -13.134 2.655 6.563 105 3HZ LYS 12 3HZ LYS 12 -14.141 3.990 6.861 106 H LYS 13 H LYS 13 -10.926 -0.869 2.019 107 HA LYS 13 HA LYS 13 -12.248 -3.070 3.161 108 1HB LYS 13 1HB LYS 13 -11.046 -2.488 0.478 109 2HB LYS 13 2HB LYS 13 -11.568 -4.134 0.837 110 1HG LYS 13 1HG LYS 13 -13.415 -1.836 1.433 111 2HG LYS 13 2HG LYS 13 -13.273 -2.427 -0.221 112 1HD LYS 13 1HD LYS 13 -14.185 -4.504 0.289 113 2HD LYS 13 2HD LYS 13 -13.692 -4.424 1.980 114 1HE LYS 13 1HE LYS 13 -16.229 -4.068 1.312 115 2HE LYS 13 2HE LYS 13 -15.499 -3.094 2.588 116 1HZ LYS 13 1HZ LYS 13 -15.622 -2.274 -0.261 117 2HZ LYS 13 2HZ LYS 13 -15.118 -1.328 1.057 118 3HZ LYS 13 3HZ LYS 13 -16.746 -1.790 0.913 119 H HIS 14 H HIS 14 -8.899 -2.652 2.139 120 HA HIS 14 HA HIS 14 -8.035 -5.324 2.661 121 1HB HIS 14 1HB HIS 14 -6.912 -3.529 1.215 122 2HB HIS 14 2HB HIS 14 -6.275 -2.886 2.730 123 HD1 HIS 14 HD1 HIS 14 -4.099 -3.882 3.428 124 HD2 HIS 14 HD2 HIS 14 -6.279 -6.504 1.030 125 HE1 HIS 14 HE1 HIS 14 -2.651 -5.935 3.112 126 HE2 HIS 14 HE2 HIS 14 -3.966 -7.543 1.650 127 H TYR 15 H TYR 15 -7.116 -2.340 4.401 128 HA TYR 15 HA TYR 15 -6.299 -3.792 6.727 129 1HB TYR 15 1HB TYR 15 -6.429 -0.934 5.871 130 2HB TYR 15 2HB TYR 15 -6.335 -1.265 7.601 131 HD1 TYR 15 HD1 TYR 15 -4.782 -2.629 4.458 132 HD2 TYR 15 HD2 TYR 15 -4.181 -1.262 8.483 133 HE1 TYR 15 HE1 TYR 15 -2.351 -3.067 4.244 134 HE2 TYR 15 HE2 TYR 15 -1.750 -1.699 8.270 135 HH TYR 15 HH TYR 15 -0.070 -1.943 6.565 136 H GLU 16 H GLU 16 -9.247 -3.805 5.774 137 HA GLU 16 HA GLU 16 -10.909 -2.433 7.493 138 1HB GLU 16 1HB GLU 16 -11.495 -4.085 5.592 139 2HB GLU 16 2HB GLU 16 -11.393 -5.334 6.832 140 1HG GLU 16 1HG GLU 16 -13.139 -2.863 7.036 141 2HG GLU 16 2HG GLU 16 -13.713 -4.448 6.519 142 H LYS 17 H LYS 17 -9.266 -5.532 8.066 143 HA LYS 17 HA LYS 17 -10.184 -5.580 10.840 144 1HB LYS 17 1HB LYS 17 -8.496 -7.490 9.209 145 2HB LYS 17 2HB LYS 17 -8.916 -7.744 10.904 146 1HG LYS 17 1HG LYS 17 -11.214 -7.975 10.432 147 2HG LYS 17 2HG LYS 17 -11.061 -7.209 8.850 148 1HD LYS 17 1HD LYS 17 -9.540 -9.744 9.372 149 2HD LYS 17 2HD LYS 17 -11.271 -9.846 9.052 150 1HE LYS 17 1HE LYS 17 -9.437 -8.261 7.252 151 2HE LYS 17 2HE LYS 17 -9.684 -9.991 7.020 152 1HZ LYS 17 1HZ LYS 17 -12.192 -8.892 7.381 153 2HZ LYS 17 2HZ LYS 17 -11.530 -9.489 5.935 154 3HZ LYS 17 3HZ LYS 17 -11.386 -7.841 6.321 155 H THR 18 H THR 18 -8.085 -3.687 9.509 156 HA THR 18 HA THR 18 -6.179 -3.856 11.748 157 HB THR 18 HB THR 18 -5.265 -3.282 8.933 158 HG1 THR 18 HG1 THR 18 -5.170 -5.727 10.364 159 1HG2 THR 18 1HG2 THR 18 -3.964 -2.576 11.043 160 2HG2 THR 18 2HG2 THR 18 -3.087 -3.509 9.831 161 3HG2 THR 18 3HG2 THR 18 -3.683 -4.298 11.291 162 H ILE 19 H ILE 19 -8.180 -2.136 11.940 163 HA ILE 19 HA ILE 19 -7.697 0.383 10.652 164 HB ILE 19 HB ILE 19 -9.939 -0.191 11.405 165 1HG1 ILE 19 1HG1 ILE 19 -8.914 2.033 13.184 166 2HG1 ILE 19 2HG1 ILE 19 -9.069 2.214 11.436 167 1HG2 ILE 19 1HG2 ILE 19 -8.886 -1.439 13.498 168 2HG2 ILE 19 2HG2 ILE 19 -10.507 -0.752 13.585 169 3HG2 ILE 19 3HG2 ILE 19 -9.143 0.122 14.281 170 1HD1 ILE 19 1HD1 ILE 19 -11.090 3.053 12.543 171 2HD1 ILE 19 2HD1 ILE 19 -11.304 1.504 13.359 172 3HD1 ILE 19 3HD1 ILE 19 -11.472 1.607 11.606 173 H GLY 20 H GLY 20 -7.488 -0.512 14.121 174 1HA GLY 20 1HA GLY 20 -6.379 1.514 15.362 175 2HA GLY 20 2HA GLY 20 -5.659 -0.080 15.559 176 H PHE 21 H PHE 21 -4.195 -0.661 13.559 177 HA PHE 21 HA PHE 21 -1.838 0.653 13.612 178 1HB PHE 21 1HB PHE 21 -2.351 -1.395 12.240 179 2HB PHE 21 2HB PHE 21 -3.038 -0.333 11.013 180 HD1 PHE 21 HD1 PHE 21 -1.641 0.490 9.328 181 HD2 PHE 21 HD2 PHE 21 0.074 -0.732 13.073 182 HE1 PHE 21 HE1 PHE 21 0.630 0.907 8.424 183 HE2 PHE 21 HE2 PHE 21 2.345 -0.314 12.169 184 HZ PHE 21 HZ PHE 21 2.622 0.505 9.844 185 H HIS 22 H HIS 22 -4.505 1.440 11.415 186 HA HIS 22 HA HIS 22 -3.346 3.719 10.214 187 1HB HIS 22 1HB HIS 22 -5.410 2.476 9.425 188 2HB HIS 22 2HB HIS 22 -6.291 3.258 10.738 189 HD1 HIS 22 HD1 HIS 22 -6.475 5.894 10.643 190 HD2 HIS 22 HD2 HIS 22 -4.899 4.131 7.210 191 HE1 HIS 22 HE1 HIS 22 -6.551 7.662 8.832 192 HE2 HIS 22 HE2 HIS 22 -5.596 6.602 6.731 193 H ASP 23 H ASP 23 -5.883 3.659 12.747 194 HA ASP 23 HA ASP 23 -5.732 6.377 13.375 195 1HB ASP 23 1HB ASP 23 -7.360 4.437 14.173 196 2HB ASP 23 2HB ASP 23 -6.265 4.392 15.552 197 H LYS 24 H LYS 24 -3.360 4.076 13.716 198 HA LYS 24 HA LYS 24 -2.119 5.180 16.127 199 1HB LYS 24 1HB LYS 24 -2.045 2.685 14.768 200 2HB LYS 24 2HB LYS 24 -0.417 3.356 14.709 201 1HG LYS 24 1HG LYS 24 -2.091 3.119 17.228 202 2HG LYS 24 2HG LYS 24 -0.828 1.985 16.758 203 1HD LYS 24 1HD LYS 24 0.816 3.363 17.492 204 2HD LYS 24 2HD LYS 24 0.119 4.753 16.663 205 1HE LYS 24 1HE LYS 24 -1.544 4.973 18.515 206 2HE LYS 24 2HE LYS 24 -0.732 3.656 19.360 207 1HZ LYS 24 1HZ LYS 24 1.352 5.061 19.093 208 2HZ LYS 24 2HZ LYS 24 0.205 5.586 20.230 209 3HZ LYS 24 3HZ LYS 24 0.311 6.345 18.714 210 H TYR 25 H TYR 25 -0.550 4.396 13.024 211 HA TYR 25 HA TYR 25 0.949 6.912 13.337 212 1HB TYR 25 1HB TYR 25 1.672 4.741 11.388 213 2HB TYR 25 2HB TYR 25 2.719 5.921 12.176 214 HD1 TYR 25 HD1 TYR 25 1.501 2.579 12.283 215 HD2 TYR 25 HD2 TYR 25 2.819 5.806 14.794 216 HE1 TYR 25 HE1 TYR 25 1.945 0.970 14.118 217 HE2 TYR 25 HE2 TYR 25 3.262 4.196 16.629 218 HH TYR 25 HH TYR 25 3.329 2.055 17.219 219 H ILE 26 H ILE 26 0.163 5.028 10.419 220 HA ILE 26 HA ILE 26 0.176 6.949 8.539 221 HB ILE 26 HB ILE 26 -1.732 4.648 8.892 222 1HG1 ILE 26 1HG1 ILE 26 -0.436 3.758 6.988 223 2HG1 ILE 26 2HG1 ILE 26 0.500 5.253 6.925 224 1HG2 ILE 26 1HG2 ILE 26 -3.082 6.134 7.627 225 2HG2 ILE 26 2HG2 ILE 26 -2.293 5.122 6.417 226 3HG2 ILE 26 3HG2 ILE 26 -1.697 6.752 6.725 227 1HD1 ILE 26 1HD1 ILE 26 1.521 4.831 9.027 228 2HD1 ILE 26 2HD1 ILE 26 1.555 3.279 8.192 229 3HD1 ILE 26 3HD1 ILE 26 0.344 3.582 9.437 230 H LYS 27 H LYS 27 -2.190 6.623 11.071 231 HA LYS 27 HA LYS 27 -4.296 7.723 11.260 232 1HB LYS 27 1HB LYS 27 -2.372 8.710 12.654 233 2HB LYS 27 2HB LYS 27 -2.367 10.029 11.484 234 1HG LYS 27 1HG LYS 27 -4.915 10.174 11.932 235 2HG LYS 27 2HG LYS 27 -4.580 9.193 13.359 236 1HD LYS 27 1HD LYS 27 -3.249 11.841 12.713 237 2HD LYS 27 2HD LYS 27 -4.547 11.616 13.887 238 1HE LYS 27 1HE LYS 27 -2.628 11.525 15.233 239 2HE LYS 27 2HE LYS 27 -2.957 9.819 14.928 240 1HZ LYS 27 1HZ LYS 27 -1.094 9.604 13.752 241 2HZ LYS 27 2HZ LYS 27 -0.614 11.085 14.433 242 3HZ LYS 27 3HZ LYS 27 -1.342 11.049 12.898 243 H ASP 28 H ASP 28 -3.641 10.825 10.588 244 HA ASP 28 HA ASP 28 -4.706 10.654 7.828 245 1HB ASP 28 1HB ASP 28 -5.962 12.733 8.333 246 2HB ASP 28 2HB ASP 28 -6.465 11.378 9.341 247 H ILE 29 H ILE 29 -2.465 10.814 7.128 248 HA ILE 29 HA ILE 29 -1.132 13.377 7.631 249 HB ILE 29 HB ILE 29 0.251 11.734 5.701 250 1HG1 ILE 29 1HG1 ILE 29 -0.565 10.334 8.268 251 2HG1 ILE 29 2HG1 ILE 29 -1.067 9.871 6.642 252 1HG2 ILE 29 1HG2 ILE 29 0.897 12.252 8.616 253 2HG2 ILE 29 2HG2 ILE 29 1.187 13.422 7.328 254 3HG2 ILE 29 3HG2 ILE 29 2.033 11.875 7.322 255 1HD1 ILE 29 1HD1 ILE 29 0.742 8.461 6.874 256 2HD1 ILE 29 2HD1 ILE 29 1.590 9.556 7.966 257 3HD1 ILE 29 3HD1 ILE 29 1.578 9.875 6.232 258 H ASN 30 H ASN 30 0.201 13.608 5.137 259 HA ASN 30 HA ASN 30 -1.651 13.644 2.968 260 1HB ASN 30 1HB ASN 30 -1.761 16.164 2.796 261 2HB ASN 30 2HB ASN 30 -2.721 15.456 4.093 262 1HD2 ASN 30 1HD2 ASN 30 0.627 16.727 3.593 263 2HD2 ASN 30 2HD2 ASN 30 0.718 17.474 5.114 264 H ARG 31 H ARG 31 1.015 12.747 3.323 265 HA ARG 31 HA ARG 31 2.358 14.468 1.343 266 1HB ARG 31 1HB ARG 31 3.270 14.705 3.759 267 2HB ARG 31 2HB ARG 31 3.921 13.087 3.515 268 1HG ARG 31 1HG ARG 31 5.635 14.687 2.895 269 2HG ARG 31 2HG ARG 31 5.047 13.908 1.428 270 1HD ARG 31 1HD ARG 31 5.298 16.575 1.627 271 2HD ARG 31 2HD ARG 31 4.041 15.825 0.650 272 HE ARG 31 HE ARG 31 2.460 16.545 2.210 273 1HH1 ARG 31 1HH1 ARG 31 5.691 16.905 3.397 274 2HH1 ARG 31 2HH1 ARG 31 5.226 17.836 4.782 275 1HH2 ARG 31 1HH2 ARG 31 1.844 17.765 4.026 276 2HH2 ARG 31 2HH2 ARG 31 3.049 18.323 5.138 277 H PHE 32 H PHE 32 2.093 13.237 -0.377 278 HA PHE 32 HA PHE 32 3.503 10.664 -0.497 279 1HB PHE 32 1HB PHE 32 1.681 9.443 -1.353 280 2HB PHE 32 2HB PHE 32 0.989 10.320 0.011 281 HD1 PHE 32 HD1 PHE 32 0.090 12.766 -0.607 282 HD2 PHE 32 HD2 PHE 32 0.556 9.529 -3.392 283 HE1 PHE 32 HE1 PHE 32 -1.546 13.841 -2.131 284 HE2 PHE 32 HE2 PHE 32 -1.080 10.603 -4.915 285 HZ PHE 32 HZ PHE 32 -2.129 12.759 -4.285 286 H VAL 33 H VAL 33 4.139 10.111 -2.631 287 HA VAL 33 HA VAL 33 3.702 12.214 -4.667 288 HB VAL 33 HB VAL 33 6.043 12.087 -5.308 289 1HG1 VAL 33 1HG1 VAL 33 6.914 13.397 -3.481 290 2HG1 VAL 33 2HG1 VAL 33 5.806 12.638 -2.337 291 3HG1 VAL 33 3HG1 VAL 33 5.183 13.729 -3.575 292 1HG2 VAL 33 1HG2 VAL 33 6.111 10.080 -3.060 293 2HG2 VAL 33 2HG2 VAL 33 7.561 10.998 -3.464 294 3HG2 VAL 33 3HG2 VAL 33 6.812 9.959 -4.673 295 H PHE 34 H PHE 34 2.850 11.375 -6.381 296 HA PHE 34 HA PHE 34 3.606 8.640 -7.238 297 1HB PHE 34 1HB PHE 34 1.382 8.244 -6.865 298 2HB PHE 34 2HB PHE 34 0.975 9.954 -6.889 299 HD1 PHE 34 HD1 PHE 34 -0.423 10.633 -8.620 300 HD2 PHE 34 HD2 PHE 34 2.312 7.390 -9.296 301 HE1 PHE 34 HE1 PHE 34 -1.280 10.392 -10.935 302 HE2 PHE 34 HE2 PHE 34 1.453 7.150 -11.609 303 HZ PHE 34 HZ PHE 34 -0.342 8.650 -12.429 304 H LYS 35 H LYS 35 4.560 8.552 -9.167 305 HA LYS 35 HA LYS 35 4.202 10.828 -11.032 306 1HB LYS 35 1HB LYS 35 6.498 10.604 -9.965 307 2HB LYS 35 2HB LYS 35 6.661 9.080 -10.837 308 1HG LYS 35 1HG LYS 35 7.628 10.569 -12.351 309 2HG LYS 35 2HG LYS 35 5.965 10.523 -12.927 310 1HD LYS 35 1HD LYS 35 6.145 12.805 -12.787 311 2HD LYS 35 2HD LYS 35 5.758 12.519 -11.092 312 1HE LYS 35 1HE LYS 35 7.686 13.851 -10.961 313 2HE LYS 35 2HE LYS 35 8.337 12.220 -10.804 314 1HZ LYS 35 1HZ LYS 35 8.322 13.961 -13.196 315 2HZ LYS 35 2HZ LYS 35 8.605 12.288 -13.299 316 3HZ LYS 35 3HZ LYS 35 9.657 13.277 -12.403 317 H ASN 36 H ASN 36 5.280 7.426 -10.972 318 HA ASN 36 HA ASN 36 3.374 6.259 -12.541 319 1HB ASN 36 1HB ASN 36 3.637 7.672 -14.391 320 2HB ASN 36 2HB ASN 36 5.385 7.766 -14.190 321 1HD2 ASN 36 1HD2 ASN 36 3.005 5.066 -14.590 322 2HD2 ASN 36 2HD2 ASN 36 3.895 4.281 -15.804 323 H ASN 37 H ASN 37 6.697 6.571 -11.650 324 HA ASN 37 HA ASN 37 7.309 3.825 -12.423 325 1HB ASN 37 1HB ASN 37 8.895 5.824 -12.751 326 2HB ASN 37 2HB ASN 37 9.178 5.707 -11.015 327 1HD2 ASN 37 1HD2 ASN 37 9.086 2.854 -10.731 328 2HD2 ASN 37 2HD2 ASN 37 10.411 2.196 -11.563 329 H VAL 38 H VAL 38 7.144 5.829 -9.534 330 HA VAL 38 HA VAL 38 6.597 3.449 -7.926 331 HB VAL 38 HB VAL 38 8.889 5.301 -7.239 332 1HG1 VAL 38 1HG1 VAL 38 8.014 4.468 -5.214 333 2HG1 VAL 38 2HG1 VAL 38 9.306 3.332 -5.602 334 3HG1 VAL 38 3HG1 VAL 38 7.627 2.899 -5.922 335 1HG2 VAL 38 1HG2 VAL 38 9.576 3.938 -9.103 336 2HG2 VAL 38 2HG2 VAL 38 8.832 2.502 -8.398 337 3HG2 VAL 38 3HG2 VAL 38 10.262 3.211 -7.652 338 H LEU 39 H LEU 39 6.030 3.996 -5.683 339 HA LEU 39 HA LEU 39 4.933 6.730 -5.389 340 1HB LEU 39 1HB LEU 39 3.600 4.075 -5.152 341 2HB LEU 39 2HB LEU 39 3.200 5.260 -3.911 342 HG LEU 39 HG LEU 39 2.799 6.903 -5.855 343 1HD1 LEU 39 1HD1 LEU 39 1.996 5.556 -7.931 344 2HD1 LEU 39 2HD1 LEU 39 3.028 4.270 -7.310 345 3HD1 LEU 39 3HD1 LEU 39 3.726 5.831 -7.738 346 1HD2 LEU 39 1HD2 LEU 39 1.061 4.494 -5.295 347 2HD2 LEU 39 2HD2 LEU 39 0.513 5.836 -6.299 348 3HD2 LEU 39 3HD2 LEU 39 0.926 6.112 -4.607 349 H LEU 40 H LEU 40 5.654 7.723 -3.583 350 HA LEU 40 HA LEU 40 6.660 6.007 -1.387 351 1HB LEU 40 1HB LEU 40 8.355 7.409 -2.776 352 2HB LEU 40 2HB LEU 40 7.689 8.794 -1.920 353 HG LEU 40 HG LEU 40 8.579 6.375 -0.359 354 1HD1 LEU 40 1HD1 LEU 40 10.826 7.552 -0.152 355 2HD1 LEU 40 2HD1 LEU 40 10.345 8.529 -1.540 356 3HD1 LEU 40 3HD1 LEU 40 10.513 6.781 -1.708 357 1HD2 LEU 40 1HD2 LEU 40 7.546 8.941 0.280 358 2HD2 LEU 40 2HD2 LEU 40 9.249 8.981 0.725 359 3HD2 LEU 40 3HD2 LEU 40 8.193 7.742 1.397 360 H ILE 41 H ILE 41 6.264 6.663 0.737 361 HA ILE 41 HA ILE 41 4.456 8.963 1.121 362 HB ILE 41 HB ILE 41 3.886 6.103 1.927 363 1HG1 ILE 41 1HG1 ILE 41 2.150 8.143 0.510 364 2HG1 ILE 41 2HG1 ILE 41 3.181 7.001 -0.350 365 1HG2 ILE 41 1HG2 ILE 41 2.756 8.710 2.960 366 2HG2 ILE 41 2HG2 ILE 41 3.370 7.343 3.889 367 3HG2 ILE 41 3HG2 ILE 41 1.835 7.207 3.032 368 1HD1 ILE 41 1HD1 ILE 41 1.111 6.149 1.686 369 2HD1 ILE 41 2HD1 ILE 41 2.000 5.117 0.566 370 3HD1 ILE 41 3HD1 ILE 41 0.784 6.240 -0.044 371 H LEU 42 H LEU 42 4.787 10.052 2.977 372 HA LEU 42 HA LEU 42 7.121 9.664 4.490 373 1HB LEU 42 1HB LEU 42 4.641 11.317 4.867 374 2HB LEU 42 2HB LEU 42 5.861 11.254 6.136 375 HG LEU 42 HG LEU 42 6.129 13.154 4.480 376 1HD1 LEU 42 1HD1 LEU 42 8.538 11.380 4.262 377 2HD1 LEU 42 2HD1 LEU 42 8.007 11.901 5.861 378 3HD1 LEU 42 3HD1 LEU 42 8.440 13.098 4.643 379 1HD2 LEU 42 1HD2 LEU 42 5.481 11.637 2.515 380 2HD2 LEU 42 2HD2 LEU 42 7.121 10.998 2.606 381 3HD2 LEU 42 3HD2 LEU 42 6.859 12.706 2.257 382 H LEU 43 H LEU 43 7.550 8.710 6.405 383 HA LEU 43 HA LEU 43 5.485 7.669 8.131 384 1HB LEU 43 1HB LEU 43 5.622 5.982 6.292 385 2HB LEU 43 2HB LEU 43 7.311 5.715 6.719 386 HG LEU 43 HG LEU 43 6.530 5.170 9.067 387 1HD1 LEU 43 1HD1 LEU 43 4.381 6.054 9.304 388 2HD1 LEU 43 2HD1 LEU 43 4.022 4.361 8.979 389 3HD1 LEU 43 3HD1 LEU 43 3.884 5.552 7.688 390 1HD2 LEU 43 1HD2 LEU 43 5.322 3.396 6.932 391 2HD2 LEU 43 2HD2 LEU 43 5.969 2.899 8.495 392 3HD2 LEU 43 3HD2 LEU 43 7.056 3.482 7.233 393 H GLU 44 H GLU 44 6.266 8.182 10.079 394 HA GLU 44 HA GLU 44 9.134 8.425 10.508 395 1HB GLU 44 1HB GLU 44 8.086 9.025 12.917 396 2HB GLU 44 2HB GLU 44 8.175 10.187 11.595 397 1HG GLU 44 1HG GLU 44 5.791 8.363 11.904 398 2HG GLU 44 2HG GLU 44 5.893 9.888 12.782 399 H ASN 45 H ASN 45 6.615 6.983 12.590 400 HA ASN 45 HA ASN 45 8.004 5.501 14.306 401 1HB ASN 45 1HB ASN 45 5.542 4.744 12.759 402 2HB ASN 45 2HB ASN 45 6.226 3.643 13.952 403 1HD2 ASN 45 1HD2 ASN 45 5.153 7.072 13.640 404 2HD2 ASN 45 2HD2 ASN 45 4.622 7.199 15.247 405 H GLU 46 H GLU 46 10.030 4.816 13.647 406 HA GLU 46 HA GLU 46 10.853 3.491 11.427 407 1HB GLU 46 1HB GLU 46 12.743 2.990 12.616 408 2HB GLU 46 2HB GLU 46 12.039 4.156 13.724 409 1HG GLU 46 1HG GLU 46 10.885 2.157 14.848 410 2HG GLU 46 2HG GLU 46 11.981 1.140 13.914 411 H PHE 47 H PHE 47 8.941 2.164 14.061 412 HA PHE 47 HA PHE 47 9.240 -0.577 13.359 413 1HB PHE 47 1HB PHE 47 6.925 0.778 14.767 414 2HB PHE 47 2HB PHE 47 7.282 -0.949 14.773 415 HD1 PHE 47 HD1 PHE 47 8.184 2.327 16.123 416 HD2 PHE 47 HD2 PHE 47 9.315 -1.812 15.909 417 HE1 PHE 47 HE1 PHE 47 9.725 2.648 18.040 418 HE2 PHE 47 HE2 PHE 47 10.856 -1.490 17.826 419 HZ PHE 47 HZ PHE 47 11.061 0.740 18.891 420 H ALA 48 H ALA 48 6.370 1.509 12.960 421 HA ALA 48 HA ALA 48 4.818 0.020 11.346 422 1HB ALA 48 1HB ALA 48 4.164 2.223 10.208 423 2HB ALA 48 2HB ALA 48 5.387 2.976 11.230 424 3HB ALA 48 3HB ALA 48 4.013 2.151 11.963 425 H ARG 49 H ARG 49 7.808 1.607 10.383 426 HA ARG 49 HA ARG 49 7.393 1.116 7.561 427 1HB ARG 49 1HB ARG 49 10.171 1.569 8.350 428 2HB ARG 49 2HB ARG 49 9.150 2.502 7.262 429 1HG ARG 49 1HG ARG 49 8.052 3.515 9.277 430 2HG ARG 49 2HG ARG 49 9.231 2.679 10.269 431 1HD ARG 49 1HD ARG 49 9.861 4.687 8.097 432 2HD ARG 49 2HD ARG 49 9.975 4.975 9.828 433 HE ARG 49 HE ARG 49 11.554 2.733 8.893 434 1HH1 ARG 49 1HH1 ARG 49 11.384 6.143 9.463 435 2HH1 ARG 49 2HH1 ARG 49 13.098 6.341 9.616 436 1HH2 ARG 49 1HH2 ARG 49 13.801 2.987 9.093 437 2HH2 ARG 49 2HH2 ARG 49 14.466 4.555 9.407 438 H ASN 50 H ASN 50 8.981 -0.484 10.250 439 HA ASN 50 HA ASN 50 10.614 -2.246 8.851 440 1HB ASN 50 1HB ASN 50 10.526 -1.894 11.351 441 2HB ASN 50 2HB ASN 50 9.107 -2.940 11.377 442 1HD2 ASN 50 1HD2 ASN 50 10.981 -4.077 8.873 443 2HD2 ASN 50 2HD2 ASN 50 11.871 -5.257 9.707 444 H SER 51 H SER 51 7.354 -2.735 10.139 445 HA SER 51 HA SER 51 6.804 -5.264 8.967 446 1HB SER 51 1HB SER 51 5.646 -3.777 10.883 447 2HB SER 51 2HB SER 51 4.562 -3.417 9.543 448 HG SER 51 HG SER 51 4.438 -5.725 9.224 449 H LEU 52 H LEU 52 5.665 -1.997 8.083 450 HA LEU 52 HA LEU 52 4.125 -2.626 5.896 451 1HB LEU 52 1HB LEU 52 5.811 -0.244 6.573 452 2HB LEU 52 2HB LEU 52 5.017 -0.327 5.002 453 HG LEU 52 HG LEU 52 3.569 -0.718 7.638 454 1HD1 LEU 52 1HD1 LEU 52 2.641 1.615 6.997 455 2HD1 LEU 52 2HD1 LEU 52 4.069 1.743 5.970 456 3HD1 LEU 52 3HD1 LEU 52 4.251 1.536 7.713 457 1HD2 LEU 52 1HD2 LEU 52 2.801 -0.737 4.753 458 2HD2 LEU 52 2HD2 LEU 52 1.693 0.079 5.854 459 3HD2 LEU 52 3HD2 LEU 52 2.099 -1.616 6.110 460 H ASN 53 H ASN 53 7.624 -1.905 5.875 461 HA ASN 53 HA ASN 53 7.885 -2.531 3.094 462 1HB ASN 53 1HB ASN 53 9.414 -1.011 4.491 463 2HB ASN 53 2HB ASN 53 10.147 -2.497 5.092 464 1HD2 ASN 53 1HD2 ASN 53 11.285 -3.877 3.508 465 2HD2 ASN 53 2HD2 ASN 53 11.794 -3.237 2.020 466 H ASP 54 H ASP 54 7.577 -4.448 5.866 467 HA ASP 54 HA ASP 54 9.215 -6.649 5.039 468 1HB ASP 54 1HB ASP 54 8.279 -6.164 7.399 469 2HB ASP 54 2HB ASP 54 6.787 -6.895 6.812 470 H ASN 55 H ASN 55 5.990 -5.521 4.455 471 HA ASN 55 HA ASN 55 5.623 -7.446 2.297 472 1HB ASN 55 1HB ASN 55 4.656 -8.635 4.206 473 2HB ASN 55 2HB ASN 55 3.673 -7.228 4.605 474 1HD2 ASN 55 1HD2 ASN 55 4.355 -8.985 1.517 475 2HD2 ASN 55 2HD2 ASN 55 2.721 -9.157 1.095 476 H SER 56 H SER 56 6.124 -4.934 1.794 477 HA SER 56 HA SER 56 3.872 -3.171 1.855 478 1HB SER 56 1HB SER 56 5.294 -1.854 0.199 479 2HB SER 56 2HB SER 56 6.009 -2.142 1.782 480 HG SER 56 HG SER 56 7.553 -3.123 0.767 481 H GLU 57 H GLU 57 2.954 -5.523 0.826 482 HA GLU 57 HA GLU 57 2.967 -5.597 -2.033 483 1HB GLU 57 1HB GLU 57 1.988 -7.220 0.079 484 2HB GLU 57 2HB GLU 57 0.595 -6.808 -0.920 485 1HG GLU 57 1HG GLU 57 1.583 -8.823 -1.818 486 2HG GLU 57 2HG GLU 57 1.925 -7.506 -2.939 487 H ILE 58 H ILE 58 2.104 -3.077 -0.474 488 HA ILE 58 HA ILE 58 -0.576 -2.536 -0.761 489 HB ILE 58 HB ILE 58 1.639 -0.570 -1.365 490 1HG1 ILE 58 1HG1 ILE 58 2.164 -1.664 0.730 491 2HG1 ILE 58 2HG1 ILE 58 1.500 -0.074 1.101 492 1HG2 ILE 58 1HG2 ILE 58 -1.242 -0.325 -0.505 493 2HG2 ILE 58 2HG2 ILE 58 -0.429 0.462 -1.856 494 3HG2 ILE 58 3HG2 ILE 58 -0.082 0.968 -0.203 495 1HD1 ILE 58 1HD1 ILE 58 0.210 -2.775 1.407 496 2HD1 ILE 58 2HD1 ILE 58 -0.790 -1.334 1.225 497 3HD1 ILE 58 3HD1 ILE 58 0.330 -1.464 2.580 498 H ILE 59 H ILE 59 1.397 -3.508 -3.225 499 HA ILE 59 HA ILE 59 0.112 -1.936 -5.326 500 HB ILE 59 HB ILE 59 2.409 -2.355 -5.736 501 1HG1 ILE 59 1HG1 ILE 59 1.039 -4.564 -7.288 502 2HG1 ILE 59 2HG1 ILE 59 0.763 -2.857 -7.640 503 1HG2 ILE 59 1HG2 ILE 59 2.892 -4.084 -4.163 504 2HG2 ILE 59 2HG2 ILE 59 3.259 -4.765 -5.748 505 3HG2 ILE 59 3HG2 ILE 59 1.757 -5.196 -4.928 506 1HD1 ILE 59 1HD1 ILE 59 3.177 -2.533 -8.003 507 2HD1 ILE 59 2HD1 ILE 59 2.549 -3.786 -9.074 508 3HD1 ILE 59 3HD1 ILE 59 3.466 -4.233 -7.635 509 H HIS 60 H HIS 60 -0.136 -5.050 -3.788 510 HA HIS 60 HA HIS 60 -1.570 -6.493 -5.777 511 1HB HIS 60 1HB HIS 60 -2.021 -8.052 -4.131 512 2HB HIS 60 2HB HIS 60 -0.517 -7.329 -3.578 513 HD1 HIS 60 HD1 HIS 60 -0.810 -5.408 -1.689 514 HD2 HIS 60 HD2 HIS 60 -4.088 -7.910 -2.296 515 HE1 HIS 60 HE1 HIS 60 -2.245 -5.217 0.384 516 HE2 HIS 60 HE2 HIS 60 -4.260 -6.724 0.025 517 H LEU 61 H LEU 61 -2.512 -3.712 -4.122 518 HA LEU 61 HA LEU 61 -5.322 -4.267 -4.883 519 1HB LEU 61 1HB LEU 61 -4.995 -2.122 -2.914 520 2HB LEU 61 2HB LEU 61 -6.102 -3.491 -2.913 521 HG LEU 61 HG LEU 61 -4.045 -4.912 -2.291 522 1HD1 LEU 61 1HD1 LEU 61 -2.579 -3.170 -0.796 523 2HD1 LEU 61 2HD1 LEU 61 -2.943 -2.161 -2.194 524 3HD1 LEU 61 3HD1 LEU 61 -2.113 -3.702 -2.409 525 1HD2 LEU 61 1HD2 LEU 61 -5.428 -2.923 -0.499 526 2HD2 LEU 61 2HD2 LEU 61 -4.250 -4.057 0.157 527 3HD2 LEU 61 3HD2 LEU 61 -5.703 -4.660 -0.637 528 H ALA 62 H ALA 62 -2.869 -1.749 -4.369 529 HA ALA 62 HA ALA 62 -4.230 0.286 -5.793 530 1HB ALA 62 1HB ALA 62 -1.234 0.074 -5.505 531 2HB ALA 62 2HB ALA 62 -2.274 0.542 -4.160 532 3HB ALA 62 3HB ALA 62 -2.216 1.534 -5.617 533 H GLU 63 H GLU 63 -3.354 -2.551 -7.042 534 HA GLU 63 HA GLU 63 -2.059 -1.601 -9.467 535 1HB GLU 63 1HB GLU 63 -2.299 -3.997 -10.180 536 2HB GLU 63 2HB GLU 63 -1.405 -3.785 -8.676 537 1HG GLU 63 1HG GLU 63 -3.355 -4.373 -7.362 538 2HG GLU 63 2HG GLU 63 -4.369 -4.399 -8.804 539 H SER 64 H SER 64 -5.165 -1.583 -8.309 540 HA SER 64 HA SER 64 -6.469 -2.154 -10.865 541 1HB SER 64 1HB SER 64 -7.665 -1.273 -8.228 542 2HB SER 64 2HB SER 64 -8.557 -1.834 -9.639 543 HG SER 64 HG SER 64 -8.077 -3.817 -9.126 544 H LEU 65 H LEU 65 -6.763 0.521 -8.513 545 HA LEU 65 HA LEU 65 -7.894 2.388 -10.206 546 1HB LEU 65 1HB LEU 65 -7.635 2.725 -7.777 547 2HB LEU 65 2HB LEU 65 -5.897 2.917 -7.991 548 HG LEU 65 HG LEU 65 -6.280 4.882 -9.427 549 1HD1 LEU 65 1HD1 LEU 65 -8.772 5.765 -9.239 550 2HD1 LEU 65 2HD1 LEU 65 -9.139 4.052 -9.046 551 3HD1 LEU 65 3HD1 LEU 65 -8.327 4.620 -10.504 552 1HD2 LEU 65 1HD2 LEU 65 -7.447 6.315 -7.617 553 2HD2 LEU 65 2HD2 LEU 65 -5.976 5.464 -7.160 554 3HD2 LEU 65 3HD2 LEU 65 -7.548 4.820 -6.690 555 H TYR 66 H TYR 66 -4.637 1.227 -10.096 556 HA TYR 66 HA TYR 66 -3.819 3.241 -12.112 557 1HB TYR 66 1HB TYR 66 -2.229 1.742 -10.028 558 2HB TYR 66 2HB TYR 66 -1.479 2.635 -11.349 559 HD1 TYR 66 HD1 TYR 66 -1.477 5.057 -11.389 560 HD2 TYR 66 HD2 TYR 66 -3.516 2.912 -8.273 561 HE1 TYR 66 HE1 TYR 66 -1.678 7.152 -10.079 562 HE2 TYR 66 HE2 TYR 66 -3.719 5.011 -6.961 563 HH TYR 66 HH TYR 66 -3.133 7.155 -6.829 564 H GLU 67 H GLU 67 -2.657 2.517 -13.915 565 HA GLU 67 HA GLU 67 -3.428 0.218 -15.186 566 1HB GLU 67 1HB GLU 67 -0.806 1.708 -15.410 567 2HB GLU 67 2HB GLU 67 -1.306 0.437 -16.526 568 1HG GLU 67 1HG GLU 67 -3.401 1.742 -16.978 569 2HG GLU 67 2HG GLU 67 -2.749 3.046 -15.990 570 H GLY 68 H GLY 68 -0.235 0.585 -13.622 571 1HA GLY 68 1HA GLY 68 -0.381 -1.957 -12.316 572 2HA GLY 68 2HA GLY 68 0.614 -2.036 -13.767 573 H ILE 69 H ILE 69 0.244 -0.448 -10.636 574 HA ILE 69 HA ILE 69 2.493 1.169 -10.581 575 HB ILE 69 HB ILE 69 1.421 -0.514 -8.304 576 1HG1 ILE 69 1HG1 ILE 69 -0.139 1.115 -9.675 577 2HG1 ILE 69 2HG1 ILE 69 -0.187 1.132 -7.915 578 1HG2 ILE 69 1HG2 ILE 69 3.482 0.364 -7.580 579 2HG2 ILE 69 2HG2 ILE 69 2.312 1.555 -7.014 580 3HG2 ILE 69 3HG2 ILE 69 3.259 1.871 -8.468 581 1HD1 ILE 69 1HD1 ILE 69 0.013 3.404 -9.182 582 2HD1 ILE 69 2HD1 ILE 69 1.703 2.951 -9.396 583 3HD1 ILE 69 3HD1 ILE 69 1.037 3.129 -7.773 584 H LYS 70 H LYS 70 4.624 0.861 -9.766 585 HA LYS 70 HA LYS 70 5.729 -1.747 -10.465 586 1HB LYS 70 1HB LYS 70 6.699 0.608 -11.075 587 2HB LYS 70 2HB LYS 70 7.351 0.565 -9.438 588 1HG LYS 70 1HG LYS 70 9.092 -0.436 -10.614 589 2HG LYS 70 2HG LYS 70 8.155 -1.857 -10.154 590 1HD LYS 70 1HD LYS 70 7.042 -1.864 -12.338 591 2HD LYS 70 2HD LYS 70 7.896 -0.393 -12.801 592 1HE LYS 70 1HE LYS 70 9.430 -2.837 -11.935 593 2HE LYS 70 2HE LYS 70 8.853 -2.682 -13.595 594 1HZ LYS 70 1HZ LYS 70 9.948 -0.260 -13.094 595 2HZ LYS 70 2HZ LYS 70 10.713 -1.531 -13.925 596 3HZ LYS 70 3HZ LYS 70 10.995 -1.306 -12.264 597 H SER 71 H SER 71 5.290 0.329 -7.656 598 HA SER 71 HA SER 71 5.211 -1.743 -5.793 599 1HB SER 71 1HB SER 71 7.947 -0.656 -6.333 600 2HB SER 71 2HB SER 71 7.516 -1.099 -4.684 601 HG SER 71 HG SER 71 8.348 -2.902 -5.693 602 H VAL 72 H VAL 72 6.041 -0.729 -3.503 603 HA VAL 72 HA VAL 72 5.384 2.114 -3.299 604 HB VAL 72 HB VAL 72 3.840 0.040 -1.717 605 1HG1 VAL 72 1HG1 VAL 72 3.373 3.014 -2.074 606 2HG1 VAL 72 2HG1 VAL 72 4.221 2.311 -0.696 607 3HG1 VAL 72 3HG1 VAL 72 2.522 1.930 -0.974 608 1HG2 VAL 72 1HG2 VAL 72 3.047 -0.146 -3.971 609 2HG2 VAL 72 2HG2 VAL 72 3.098 1.601 -4.204 610 3HG2 VAL 72 3HG2 VAL 72 1.892 0.890 -3.134 611 H ASN 73 H ASN 73 6.214 3.088 -1.498 612 HA ASN 73 HA ASN 73 7.658 1.408 0.449 613 1HB ASN 73 1HB ASN 73 9.228 1.985 -1.384 614 2HB ASN 73 2HB ASN 73 8.934 3.692 -1.061 615 1HD2 ASN 73 1HD2 ASN 73 9.247 1.068 1.365 616 2HD2 ASN 73 2HD2 ASN 73 10.626 1.718 2.112 617 H PHE 74 H PHE 74 8.379 2.558 2.316 618 HA PHE 74 HA PHE 74 7.094 5.156 2.850 619 1HB PHE 74 1HB PHE 74 6.884 2.699 4.613 620 2HB PHE 74 2HB PHE 74 6.321 4.312 5.041 621 HD1 PHE 74 HD1 PHE 74 5.921 1.618 2.485 622 HD2 PHE 74 HD2 PHE 74 4.178 5.054 4.384 623 HE1 PHE 74 HE1 PHE 74 3.781 1.182 1.309 624 HE2 PHE 74 HE2 PHE 74 2.038 4.619 3.209 625 HZ PHE 74 HZ PHE 74 1.839 2.682 1.671 626 H VAL 75 H VAL 75 8.413 6.512 4.004 627 HA VAL 75 HA VAL 75 10.616 5.355 5.563 628 HB VAL 75 HB VAL 75 12.331 6.614 4.437 629 1HG1 VAL 75 1HG1 VAL 75 11.612 4.384 3.496 630 2HG1 VAL 75 2HG1 VAL 75 12.393 5.447 2.328 631 3HG1 VAL 75 3HG1 VAL 75 10.640 5.265 2.318 632 1HG2 VAL 75 1HG2 VAL 75 11.155 8.609 3.793 633 2HG2 VAL 75 2HG2 VAL 75 10.016 7.692 2.809 634 3HG2 VAL 75 3HG2 VAL 75 11.697 7.848 2.297 635 H ASN 76 H ASN 76 12.077 7.670 5.980 636 HA ASN 76 HA ASN 76 10.153 9.249 7.560 637 1HB ASN 76 1HB ASN 76 12.488 10.054 8.558 638 2HB ASN 76 2HB ASN 76 11.718 8.566 9.092 639 1HD2 ASN 76 1HD2 ASN 76 14.692 9.647 8.345 640 2HD2 ASN 76 2HD2 ASN 76 15.357 8.262 7.624 641 H GLU 77 H GLU 77 10.805 11.554 7.906 642 HA GLU 77 HA GLU 77 10.445 13.135 5.773 643 1HB GLU 77 1HB GLU 77 12.169 13.669 8.191 644 2HB GLU 77 2HB GLU 77 11.744 14.916 7.017 645 1HG GLU 77 1HG GLU 77 9.653 13.201 8.363 646 2HG GLU 77 2HG GLU 77 10.217 14.714 9.067 647 H GLN 78 H GLN 78 13.766 12.963 7.070 648 HA GLN 78 HA GLN 78 15.068 14.051 4.927 649 1HB GLN 78 1HB GLN 78 15.952 13.182 7.242 650 2HB GLN 78 2HB GLN 78 16.322 11.715 6.336 651 1HG GLN 78 1HG GLN 78 17.281 14.517 5.674 652 2HG GLN 78 2HG GLN 78 18.264 13.207 6.326 653 1HE2 GLN 78 1HE2 GLN 78 17.492 11.027 4.767 654 2HE2 GLN 78 2HE2 GLN 78 17.848 11.328 3.135 655 H ASP 79 H ASP 79 14.509 10.571 5.446 656 HA ASP 79 HA ASP 79 15.677 9.589 3.138 657 1HB ASP 79 1HB ASP 79 13.270 8.678 4.699 658 2HB ASP 79 2HB ASP 79 13.831 7.798 3.278 659 H PHE 80 H PHE 80 12.176 10.292 3.480 660 HA PHE 80 HA PHE 80 11.343 9.992 0.902 661 1HB PHE 80 1HB PHE 80 9.645 10.601 2.372 662 2HB PHE 80 2HB PHE 80 10.570 11.939 3.051 663 HD1 PHE 80 HD1 PHE 80 9.483 13.961 2.615 664 HD2 PHE 80 HD2 PHE 80 9.667 10.972 -0.467 665 HE1 PHE 80 HE1 PHE 80 8.383 15.522 1.035 666 HE2 PHE 80 HE2 PHE 80 8.566 12.536 -2.046 667 HZ PHE 80 HZ PHE 80 7.924 14.810 -1.296 668 H PHE 81 H PHE 81 13.025 12.795 2.271 669 HA PHE 81 HA PHE 81 12.948 14.470 0.028 670 1HB PHE 81 1HB PHE 81 14.034 14.624 2.556 671 2HB PHE 81 2HB PHE 81 15.474 14.558 1.543 672 HD1 PHE 81 HD1 PHE 81 16.195 16.470 0.358 673 HD2 PHE 81 HD2 PHE 81 12.199 16.319 1.927 674 HE1 PHE 81 HE1 PHE 81 15.863 18.849 -0.259 675 HE2 PHE 81 HE2 PHE 81 11.867 18.698 1.310 676 HZ PHE 81 HZ PHE 81 13.698 19.963 0.217 677 H PHE 82 H PHE 82 15.761 12.531 1.074 678 HA PHE 82 HA PHE 82 17.433 12.704 -1.010 679 1HB PHE 82 1HB PHE 82 17.652 11.181 1.006 680 2HB PHE 82 2HB PHE 82 16.690 10.002 0.114 681 HD1 PHE 82 HD1 PHE 82 19.941 11.653 0.396 682 HD2 PHE 82 HD2 PHE 82 17.531 9.036 -2.013 683 HE1 PHE 82 HE1 PHE 82 21.965 10.926 -0.839 684 HE2 PHE 82 HE2 PHE 82 19.556 8.309 -3.247 685 HZ PHE 82 HZ PHE 82 21.772 9.253 -2.661 686 H ASN 83 H ASN 83 14.368 10.971 -1.055 687 HA ASN 83 HA ASN 83 14.810 9.711 -3.593 688 1HB ASN 83 1HB ASN 83 13.170 8.955 -1.806 689 2HB ASN 83 2HB ASN 83 12.136 10.289 -2.313 690 1HD2 ASN 83 1HD2 ASN 83 12.773 7.026 -2.895 691 2HD2 ASN 83 2HD2 ASN 83 12.075 6.903 -4.436 692 H LEU 84 H LEU 84 12.867 12.522 -2.559 693 HA LEU 84 HA LEU 84 12.267 13.243 -5.299 694 1HB LEU 84 1HB LEU 84 10.800 14.801 -4.407 695 2HB LEU 84 2HB LEU 84 10.845 13.604 -3.117 696 HG LEU 84 HG LEU 84 12.844 15.048 -2.206 697 1HD1 LEU 84 1HD1 LEU 84 13.299 16.913 -3.384 698 2HD1 LEU 84 2HD1 LEU 84 11.713 17.535 -2.936 699 3HD1 LEU 84 3HD1 LEU 84 11.917 16.648 -4.445 700 1HD2 LEU 84 1HD2 LEU 84 9.907 15.750 -2.068 701 2HD2 LEU 84 2HD2 LEU 84 11.110 16.562 -1.066 702 3HD2 LEU 84 3HD2 LEU 84 10.861 14.824 -0.910 703 H ALA 85 H ALA 85 14.788 13.790 -3.101 704 HA ALA 85 HA ALA 85 15.606 16.383 -4.076 705 1HB ALA 85 1HB ALA 85 17.438 16.182 -2.590 706 2HB ALA 85 2HB ALA 85 17.319 14.423 -2.556 707 3HB ALA 85 3HB ALA 85 16.087 15.405 -1.763 708 H LYS 86 H LYS 86 16.139 13.075 -4.977 709 HA LYS 86 HA LYS 86 18.585 13.471 -6.395 710 1HB LYS 86 1HB LYS 86 17.601 11.248 -5.593 711 2HB LYS 86 2HB LYS 86 16.538 11.338 -6.998 712 1HG LYS 86 1HG LYS 86 18.343 10.128 -7.856 713 2HG LYS 86 2HG LYS 86 18.762 11.775 -8.323 714 1HD LYS 86 1HD LYS 86 19.869 11.638 -5.810 715 2HD LYS 86 2HD LYS 86 20.072 9.978 -6.366 716 1HE LYS 86 1HE LYS 86 21.227 10.745 -8.372 717 2HE LYS 86 2HE LYS 86 20.931 12.428 -7.934 718 1HZ LYS 86 1HZ LYS 86 22.105 11.343 -5.722 719 2HZ LYS 86 2HZ LYS 86 22.862 12.335 -6.874 720 3HZ LYS 86 3HZ LYS 86 22.960 10.644 -7.010 721 H LEU 87 H LEU 87 15.474 12.541 -7.846 722 HA LEU 87 HA LEU 87 16.171 13.795 -10.339 723 1HB LEU 87 1HB LEU 87 13.798 12.287 -9.287 724 2HB LEU 87 2HB LEU 87 13.647 13.202 -10.787 725 HG LEU 87 HG LEU 87 15.612 11.993 -11.704 726 1HD1 LEU 87 1HD1 LEU 87 16.826 11.452 -9.700 727 2HD1 LEU 87 2HD1 LEU 87 16.329 9.922 -10.422 728 3HD1 LEU 87 3HD1 LEU 87 15.452 10.567 -9.035 729 1HD2 LEU 87 1HD2 LEU 87 14.488 9.745 -11.864 730 2HD2 LEU 87 2HD2 LEU 87 13.411 11.100 -12.201 731 3HD2 LEU 87 3HD2 LEU 87 13.342 10.287 -10.637 732 H GLU 88 H GLU 88 15.070 15.531 -11.347 733 HA GLU 88 HA GLU 88 13.345 17.211 -9.672 734 1HB GLU 88 1HB GLU 88 15.784 18.364 -11.033 735 2HB GLU 88 2HB GLU 88 14.687 19.172 -9.913 736 1HG GLU 88 1HG GLU 88 15.371 17.509 -8.154 737 2HG GLU 88 2HG GLU 88 16.587 16.901 -9.276 738 H GLU 89 H GLU 89 12.276 18.909 -10.902 739 HA GLU 89 HA GLU 89 11.173 18.029 -13.305 740 1HB GLU 89 1HB GLU 89 11.404 20.851 -12.232 741 2HB GLU 89 2HB GLU 89 10.347 20.360 -13.556 742 1HG GLU 89 1HG GLU 89 8.968 20.314 -11.620 743 2HG GLU 89 2HG GLU 89 9.377 18.627 -11.931 744 H ASN 90 H ASN 90 14.021 19.989 -12.691 745 HA ASN 90 HA ASN 90 15.073 19.473 -15.300 746 1HB ASN 90 1HB ASN 90 15.198 21.930 -15.938 747 2HB ASN 90 2HB ASN 90 13.607 21.183 -16.075 748 1HD2 ASN 90 1HD2 ASN 90 15.458 23.630 -14.394 749 2HD2 ASN 90 2HD2 ASN 90 14.183 24.210 -13.435 750 H SER 91 H SER 91 16.907 21.479 -15.553 751 HA SER 91 HA SER 91 18.279 21.738 -12.967 752 1HB SER 91 1HB SER 91 19.483 20.450 -15.425 753 2HB SER 91 2HB SER 91 20.407 20.956 -14.014 754 HG SER 91 HG SER 91 19.012 18.713 -14.393 755 H ARG 92 H ARG 92 16.918 23.599 -14.774 756 HA ARG 92 HA ARG 92 19.146 25.184 -15.865 757 1HB ARG 92 1HB ARG 92 16.145 25.394 -16.177 758 2HB ARG 92 2HB ARG 92 17.282 26.572 -16.835 759 1HG ARG 92 1HG ARG 92 18.433 24.677 -18.035 760 2HG ARG 92 2HG ARG 92 17.120 23.623 -17.508 761 1HD ARG 92 1HD ARG 92 16.671 26.178 -19.065 762 2HD ARG 92 2HD ARG 92 16.838 24.600 -19.828 763 HE ARG 92 HE ARG 92 14.733 23.996 -18.970 764 1HH1 ARG 92 1HH1 ARG 92 15.821 27.064 -17.789 765 2HH1 ARG 92 2HH1 ARG 92 14.278 27.517 -17.148 766 1HH2 ARG 92 1HH2 ARG 92 12.709 24.586 -18.131 767 2HH2 ARG 92 2HH2 ARG 92 12.516 26.115 -17.341 768 H ASP 93 H ASP 93 19.961 25.808 -13.778 769 HA ASP 93 HA ASP 93 20.217 27.296 -12.049 770 1HB ASP 93 1HB ASP 93 19.613 28.885 -13.958 771 2HB ASP 93 2HB ASP 93 17.983 28.899 -13.288 772 H THR 94 H THR 94 19.418 27.636 -9.997 773 HA THR 94 HA THR 94 16.843 26.333 -9.418 774 HB THR 94 HB THR 94 18.835 25.517 -8.210 775 HG1 THR 94 HG1 THR 94 17.926 25.801 -6.114 776 1HG2 THR 94 1HG2 THR 94 20.026 26.945 -6.666 777 2HG2 THR 94 2HG2 THR 94 18.916 28.280 -6.973 778 3HG2 THR 94 3HG2 THR 94 20.017 27.739 -8.239 779 H LEU 95 H LEU 95 17.638 29.278 -10.271 780 HA LEU 95 HA LEU 95 16.897 31.410 -9.832 781 1HB LEU 95 1HB LEU 95 14.573 29.810 -8.726 782 2HB LEU 95 2HB LEU 95 14.539 31.543 -9.041 783 HG LEU 95 HG LEU 95 15.276 30.946 -11.441 784 1HD1 LEU 95 1HD1 LEU 95 14.292 28.594 -12.025 785 2HD1 LEU 95 2HD1 LEU 95 14.554 28.242 -10.318 786 3HD1 LEU 95 3HD1 LEU 95 15.915 28.687 -11.346 787 1HD2 LEU 95 1HD2 LEU 95 12.557 30.257 -10.305 788 2HD2 LEU 95 2HD2 LEU 95 12.876 30.320 -12.037 789 3HD2 LEU 95 3HD2 LEU 95 13.061 31.772 -11.053 790 H TYR 96 H TYR 96 14.948 31.702 -7.418 791 HA TYR 96 HA TYR 96 16.482 31.220 -5.077 792 1HB TYR 96 1HB TYR 96 17.765 33.091 -6.331 793 2HB TYR 96 2HB TYR 96 16.430 34.132 -5.839 794 HD1 TYR 96 HD1 TYR 96 16.098 34.754 -3.525 795 HD2 TYR 96 HD2 TYR 96 19.214 32.014 -4.636 796 HE1 TYR 96 HE1 TYR 96 17.099 34.979 -1.268 797 HE2 TYR 96 HE2 TYR 96 20.215 32.237 -2.377 798 HH TYR 96 HH TYR 96 18.683 33.339 0.210 799 H GLN 97 H GLN 97 14.164 30.478 -4.907 800 HA GLN 97 HA GLN 97 12.679 32.436 -3.366 801 1HB GLN 97 1HB GLN 97 11.996 32.766 -5.800 802 2HB GLN 97 2HB GLN 97 11.287 31.153 -5.717 803 1HG GLN 97 1HG GLN 97 10.018 31.954 -3.657 804 2HG GLN 97 2HG GLN 97 10.547 33.583 -4.075 805 1HE2 GLN 97 1HE2 GLN 97 9.178 34.700 -5.474 806 2HE2 GLN 97 2HE2 GLN 97 8.031 33.974 -6.493 807 H ASN 98 H ASN 98 11.379 31.487 -1.852 808 HA ASN 98 HA ASN 98 11.777 28.712 -1.311 809 1HB ASN 98 1HB ASN 98 10.044 29.150 0.499 810 2HB ASN 98 2HB ASN 98 11.498 30.145 0.567 811 1HD2 ASN 98 1HD2 ASN 98 8.339 30.323 -1.193 812 2HD2 ASN 98 2HD2 ASN 98 8.074 31.959 -0.827 813 H SER 99 H SER 99 10.803 28.648 -3.799 814 HA SER 99 HA SER 99 8.575 26.940 -3.627 815 1HB SER 99 1HB SER 99 7.116 28.731 -3.215 816 2HB SER 99 2HB SER 99 7.985 29.812 -4.301 817 HG SER 99 HG SER 99 7.226 27.713 -5.710 818 H GLY 100 H GLY 100 9.119 29.477 -6.051 819 1HA GLY 100 1HA GLY 100 10.842 28.233 -7.793 820 2HA GLY 100 2HA GLY 100 9.262 27.562 -8.183 Start of MODEL 13 1 H MET 1 H MET 1 -7.312 14.930 -6.428 2 HA MET 1 HA MET 1 -9.300 15.849 -5.585 3 1HB MET 1 1HB MET 1 -11.504 14.916 -6.494 4 2HB MET 1 2HB MET 1 -10.633 16.019 -7.559 5 1HG MET 1 1HG MET 1 -10.020 13.098 -7.782 6 2HG MET 1 2HG MET 1 -11.548 13.673 -8.448 7 1HE MET 1 1HE MET 1 -10.829 15.586 -11.469 8 2HE MET 1 2HE MET 1 -11.811 15.600 -10.008 9 3HE MET 1 3HE MET 1 -11.620 14.103 -10.916 10 H GLU 2 H GLU 2 -11.201 13.186 -6.162 11 HA GLU 2 HA GLU 2 -10.704 12.050 -3.594 12 1HB GLU 2 1HB GLU 2 -12.207 10.682 -5.819 13 2HB GLU 2 2HB GLU 2 -12.479 10.576 -4.078 14 1HG GLU 2 1HG GLU 2 -13.111 12.992 -4.071 15 2HG GLU 2 2HG GLU 2 -12.952 13.007 -5.826 16 H GLN 3 H GLN 3 -8.849 11.914 -6.255 17 HA GLN 3 HA GLN 3 -8.173 9.381 -6.951 18 1HB GLN 3 1HB GLN 3 -7.046 11.420 -7.762 19 2HB GLN 3 2HB GLN 3 -6.206 11.552 -6.218 20 1HG GLN 3 1HG GLN 3 -5.897 8.867 -7.245 21 2HG GLN 3 2HG GLN 3 -5.425 10.023 -8.487 22 1HE2 GLN 3 1HE2 GLN 3 -3.136 9.677 -8.282 23 2HE2 GLN 3 2HE2 GLN 3 -2.274 10.105 -6.885 24 H PHE 4 H PHE 4 -6.025 10.884 -4.603 25 HA PHE 4 HA PHE 4 -5.074 8.523 -3.512 26 1HB PHE 4 1HB PHE 4 -4.207 9.807 -1.698 27 2HB PHE 4 2HB PHE 4 -4.233 10.914 -3.070 28 HD1 PHE 4 HD1 PHE 4 -6.404 12.345 -3.368 29 HD2 PHE 4 HD2 PHE 4 -5.281 10.410 0.299 30 HE1 PHE 4 HE1 PHE 4 -7.883 13.882 -2.103 31 HE2 PHE 4 HE2 PHE 4 -6.760 11.947 1.563 32 HZ PHE 4 HZ PHE 4 -8.060 13.684 0.363 33 H ASN 5 H ASN 5 -7.951 10.346 -2.574 34 HA ASN 5 HA ASN 5 -8.641 8.780 -0.341 35 1HB ASN 5 1HB ASN 5 -9.726 10.964 -1.179 36 2HB ASN 5 2HB ASN 5 -10.663 9.934 -2.259 37 1HD2 ASN 5 1HD2 ASN 5 -10.190 7.928 0.268 38 2HD2 ASN 5 2HD2 ASN 5 -11.536 8.319 1.227 39 H ALA 6 H ALA 6 -8.946 8.274 -3.782 40 HA ALA 6 HA ALA 6 -10.763 6.070 -3.659 41 1HB ALA 6 1HB ALA 6 -8.784 6.520 -5.885 42 2HB ALA 6 2HB ALA 6 -10.172 7.585 -5.673 43 3HB ALA 6 3HB ALA 6 -10.417 5.866 -5.977 44 H PHE 7 H PHE 7 -7.234 6.198 -4.260 45 HA PHE 7 HA PHE 7 -6.861 3.392 -4.204 46 1HB PHE 7 1HB PHE 7 -4.835 4.087 -4.906 47 2HB PHE 7 2HB PHE 7 -5.205 5.740 -4.427 48 HD1 PHE 7 HD1 PHE 7 -3.596 2.591 -3.444 49 HD2 PHE 7 HD2 PHE 7 -4.577 6.584 -2.203 50 HE1 PHE 7 HE1 PHE 7 -1.992 2.400 -1.562 51 HE2 PHE 7 HE2 PHE 7 -2.974 6.393 -0.320 52 HZ PHE 7 HZ PHE 7 -1.682 4.302 0.001 53 H LYS 8 H LYS 8 -6.752 5.880 -1.720 54 HA LYS 8 HA LYS 8 -5.842 4.342 0.458 55 1HB LYS 8 1HB LYS 8 -6.145 6.870 0.306 56 2HB LYS 8 2HB LYS 8 -7.846 6.575 0.669 57 1HG LYS 8 1HG LYS 8 -7.365 5.685 2.800 58 2HG LYS 8 2HG LYS 8 -5.675 5.375 2.394 59 1HD LYS 8 1HD LYS 8 -5.784 7.316 3.856 60 2HD LYS 8 2HD LYS 8 -5.311 7.849 2.243 61 1HE LYS 8 1HE LYS 8 -7.087 9.279 3.328 62 2HE LYS 8 2HE LYS 8 -7.550 8.614 1.762 63 1HZ LYS 8 1HZ LYS 8 -8.976 8.380 4.050 64 2HZ LYS 8 2HZ LYS 8 -8.174 6.885 3.968 65 3HZ LYS 8 3HZ LYS 8 -9.156 7.396 2.680 66 H SER 9 H SER 9 -9.187 5.138 -0.562 67 HA SER 9 HA SER 9 -10.439 3.681 1.455 68 1HB SER 9 1HB SER 9 -12.440 4.005 0.282 69 2HB SER 9 2HB SER 9 -11.442 5.295 -0.376 70 HG SER 9 HG SER 9 -10.910 3.857 -2.094 71 H LEU 10 H LEU 10 -8.830 2.672 -1.430 72 HA LEU 10 HA LEU 10 -9.986 0.103 -1.720 73 1HB LEU 10 1HB LEU 10 -8.214 1.545 -3.181 74 2HB LEU 10 2HB LEU 10 -7.101 0.448 -2.369 75 HG LEU 10 HG LEU 10 -9.478 -0.302 -4.097 76 1HD1 LEU 10 1HD1 LEU 10 -7.733 0.047 -5.586 77 2HD1 LEU 10 2HD1 LEU 10 -7.436 -1.638 -5.166 78 3HD1 LEU 10 3HD1 LEU 10 -6.493 -0.360 -4.401 79 1HD2 LEU 10 1HD2 LEU 10 -8.509 -2.680 -3.622 80 2HD2 LEU 10 2HD2 LEU 10 -9.542 -1.940 -2.405 81 3HD2 LEU 10 3HD2 LEU 10 -7.791 -1.928 -2.198 82 H LEU 11 H LEU 11 -7.290 1.374 0.187 83 HA LEU 11 HA LEU 11 -6.321 -1.102 1.155 84 1HB LEU 11 1HB LEU 11 -6.156 1.743 2.126 85 2HB LEU 11 2HB LEU 11 -5.572 0.435 3.151 86 HG LEU 11 HG LEU 11 -4.678 0.437 0.299 87 1HD1 LEU 11 1HD1 LEU 11 -3.904 2.488 2.367 88 2HD1 LEU 11 2HD1 LEU 11 -4.217 2.711 0.647 89 3HD1 LEU 11 3HD1 LEU 11 -2.720 1.945 1.176 90 1HD2 LEU 11 1HD2 LEU 11 -4.089 -1.286 2.100 91 2HD2 LEU 11 2HD2 LEU 11 -3.136 -0.016 2.869 92 3HD2 LEU 11 3HD2 LEU 11 -2.720 -0.571 1.247 93 H LYS 12 H LYS 12 -8.761 1.150 2.438 94 HA LYS 12 HA LYS 12 -9.374 0.134 4.873 95 1HB LYS 12 1HB LYS 12 -10.790 1.591 2.908 96 2HB LYS 12 2HB LYS 12 -11.853 0.267 3.378 97 1HG LYS 12 1HG LYS 12 -11.599 0.871 5.743 98 2HG LYS 12 2HG LYS 12 -10.480 2.163 5.307 99 1HD LYS 12 1HD LYS 12 -12.385 3.069 3.823 100 2HD LYS 12 2HD LYS 12 -13.437 1.974 4.722 101 1HE LYS 12 1HE LYS 12 -13.551 4.045 5.892 102 2HE LYS 12 2HE LYS 12 -12.467 3.033 6.847 103 1HZ LYS 12 1HZ LYS 12 -11.923 5.514 5.718 104 2HZ LYS 12 2HZ LYS 12 -10.991 4.379 4.864 105 3HZ LYS 12 3HZ LYS 12 -10.854 4.497 6.554 106 H LYS 13 H LYS 13 -10.708 -1.251 1.865 107 HA LYS 13 HA LYS 13 -11.927 -3.519 2.921 108 1HB LYS 13 1HB LYS 13 -11.043 -2.598 0.320 109 2HB LYS 13 2HB LYS 13 -10.750 -4.326 0.484 110 1HG LYS 13 1HG LYS 13 -12.999 -4.836 0.676 111 2HG LYS 13 2HG LYS 13 -13.405 -3.282 1.401 112 1HD LYS 13 1HD LYS 13 -12.447 -3.366 -1.446 113 2HD LYS 13 2HD LYS 13 -14.121 -3.785 -1.081 114 1HE LYS 13 1HE LYS 13 -14.363 -1.617 0.130 115 2HE LYS 13 2HE LYS 13 -12.723 -1.192 -0.356 116 1HZ LYS 13 1HZ LYS 13 -14.552 -2.054 -2.457 117 2HZ LYS 13 2HZ LYS 13 -13.335 -0.869 -2.493 118 3HZ LYS 13 3HZ LYS 13 -14.836 -0.527 -1.775 119 H HIS 14 H HIS 14 -8.554 -2.968 2.071 120 HA HIS 14 HA HIS 14 -7.635 -5.635 2.550 121 1HB HIS 14 1HB HIS 14 -6.514 -3.745 1.202 122 2HB HIS 14 2HB HIS 14 -5.927 -3.173 2.763 123 HD1 HIS 14 HD1 HIS 14 -4.847 -5.227 0.102 124 HD2 HIS 14 HD2 HIS 14 -4.769 -5.676 4.245 125 HE1 HIS 14 HE1 HIS 14 -3.090 -6.982 0.600 126 HE2 HIS 14 HE2 HIS 14 -3.030 -7.264 3.122 127 H TYR 15 H TYR 15 -7.041 -2.633 4.409 128 HA TYR 15 HA TYR 15 -6.277 -4.166 6.745 129 1HB TYR 15 1HB TYR 15 -6.222 -1.297 5.909 130 2HB TYR 15 2HB TYR 15 -6.217 -1.648 7.635 131 HD1 TYR 15 HD1 TYR 15 -4.678 -3.428 4.712 132 HD2 TYR 15 HD2 TYR 15 -4.037 -1.390 8.437 133 HE1 TYR 15 HE1 TYR 15 -2.267 -3.987 4.604 134 HE2 TYR 15 HE2 TYR 15 -1.625 -1.947 8.329 135 HH TYR 15 HH TYR 15 -0.023 -2.682 5.810 136 H GLU 16 H GLU 16 -9.125 -4.221 5.733 137 HA GLU 16 HA GLU 16 -10.823 -2.705 7.347 138 1HB GLU 16 1HB GLU 16 -11.468 -4.204 5.404 139 2HB GLU 16 2HB GLU 16 -11.329 -5.566 6.515 140 1HG GLU 16 1HG GLU 16 -13.056 -3.162 7.128 141 2HG GLU 16 2HG GLU 16 -13.668 -4.557 6.242 142 H LYS 17 H LYS 17 -8.990 -5.612 8.035 143 HA LYS 17 HA LYS 17 -10.222 -5.872 10.689 144 1HB LYS 17 1HB LYS 17 -8.132 -7.599 9.340 145 2HB LYS 17 2HB LYS 17 -8.987 -7.970 10.837 146 1HG LYS 17 1HG LYS 17 -11.064 -8.233 9.720 147 2HG LYS 17 2HG LYS 17 -10.471 -7.439 8.261 148 1HD LYS 17 1HD LYS 17 -8.878 -9.314 7.911 149 2HD LYS 17 2HD LYS 17 -9.549 -10.123 9.328 150 1HE LYS 17 1HE LYS 17 -11.677 -10.397 8.289 151 2HE LYS 17 2HE LYS 17 -11.275 -9.266 6.998 152 1HZ LYS 17 1HZ LYS 17 -11.040 -11.413 6.100 153 2HZ LYS 17 2HZ LYS 17 -10.175 -11.979 7.448 154 3HZ LYS 17 3HZ LYS 17 -9.459 -10.866 6.383 155 H THR 18 H THR 18 -7.962 -3.958 9.427 156 HA THR 18 HA THR 18 -6.328 -3.971 11.893 157 HB THR 18 HB THR 18 -5.195 -3.280 9.189 158 HG1 THR 18 HG1 THR 18 -5.887 -5.424 9.114 159 1HG2 THR 18 1HG2 THR 18 -3.115 -3.389 10.273 160 2HG2 THR 18 2HG2 THR 18 -3.752 -4.361 11.598 161 3HG2 THR 18 3HG2 THR 18 -4.151 -2.646 11.493 162 H ILE 19 H ILE 19 -8.205 -2.354 12.258 163 HA ILE 19 HA ILE 19 -7.983 0.177 10.894 164 HB ILE 19 HB ILE 19 -10.142 -0.591 11.761 165 1HG1 ILE 19 1HG1 ILE 19 -10.664 1.482 13.201 166 2HG1 ILE 19 2HG1 ILE 19 -8.967 1.908 13.003 167 1HG2 ILE 19 1HG2 ILE 19 -8.905 -1.656 13.839 168 2HG2 ILE 19 2HG2 ILE 19 -10.568 -1.093 13.984 169 3HG2 ILE 19 3HG2 ILE 19 -9.247 -0.091 14.579 170 1HD1 ILE 19 1HD1 ILE 19 -9.181 2.121 10.647 171 2HD1 ILE 19 2HD1 ILE 19 -10.619 2.902 11.301 172 3HD1 ILE 19 3HD1 ILE 19 -10.729 1.276 10.632 173 H GLY 20 H GLY 20 -7.585 -0.657 14.357 174 1HA GLY 20 1HA GLY 20 -6.528 1.464 15.500 175 2HA GLY 20 2HA GLY 20 -5.767 -0.104 15.744 176 H PHE 21 H PHE 21 -4.308 -0.721 13.739 177 HA PHE 21 HA PHE 21 -2.001 0.701 13.730 178 1HB PHE 21 1HB PHE 21 -2.412 -1.467 12.519 179 2HB PHE 21 2HB PHE 21 -3.145 -0.536 11.214 180 HD1 PHE 21 HD1 PHE 21 -1.772 0.152 9.451 181 HD2 PHE 21 HD2 PHE 21 -0.035 -0.551 13.318 182 HE1 PHE 21 HE1 PHE 21 0.481 0.609 8.524 183 HE2 PHE 21 HE2 PHE 21 2.215 -0.094 12.390 184 HZ PHE 21 HZ PHE 21 2.476 0.486 9.993 185 H HIS 22 H HIS 22 -4.687 1.207 11.453 186 HA HIS 22 HA HIS 22 -3.548 3.459 10.164 187 1HB HIS 22 1HB HIS 22 -5.612 1.957 9.505 188 2HB HIS 22 2HB HIS 22 -6.521 3.129 10.457 189 HD1 HIS 22 HD1 HIS 22 -6.097 5.736 9.707 190 HD2 HIS 22 HD2 HIS 22 -5.068 2.804 6.929 191 HE1 HIS 22 HE1 HIS 22 -5.919 6.902 7.465 192 HE2 HIS 22 HE2 HIS 22 -5.292 5.128 5.761 193 H ASP 23 H ASP 23 -6.160 3.390 12.638 194 HA ASP 23 HA ASP 23 -6.187 6.155 13.061 195 1HB ASP 23 1HB ASP 23 -7.712 4.174 13.977 196 2HB ASP 23 2HB ASP 23 -6.646 4.315 15.372 197 H LYS 24 H LYS 24 -3.686 4.053 13.540 198 HA LYS 24 HA LYS 24 -2.536 5.430 15.865 199 1HB LYS 24 1HB LYS 24 -2.273 2.804 14.640 200 2HB LYS 24 2HB LYS 24 -0.702 3.542 14.928 201 1HG LYS 24 1HG LYS 24 -2.865 3.468 17.041 202 2HG LYS 24 2HG LYS 24 -1.693 2.166 16.852 203 1HD LYS 24 1HD LYS 24 -0.503 4.876 16.921 204 2HD LYS 24 2HD LYS 24 -1.295 4.389 18.418 205 1HE LYS 24 1HE LYS 24 0.031 2.331 18.487 206 2HE LYS 24 2HE LYS 24 0.787 2.746 16.947 207 1HZ LYS 24 1HZ LYS 24 1.517 4.859 18.088 208 2HZ LYS 24 2HZ LYS 24 2.283 3.428 18.595 209 3HZ LYS 24 3HZ LYS 24 1.063 4.127 19.549 210 H TYR 25 H TYR 25 -1.504 4.661 12.493 211 HA TYR 25 HA TYR 25 0.096 7.146 12.644 212 1HB TYR 25 1HB TYR 25 0.978 4.595 11.280 213 2HB TYR 25 2HB TYR 25 1.909 6.083 11.440 214 HD1 TYR 25 HD1 TYR 25 1.334 2.899 12.842 215 HD2 TYR 25 HD2 TYR 25 2.151 6.971 13.942 216 HE1 TYR 25 HE1 TYR 25 2.196 2.134 15.039 217 HE2 TYR 25 HE2 TYR 25 3.011 6.205 16.137 218 HH TYR 25 HH TYR 25 4.061 3.965 17.016 219 H ILE 26 H ILE 26 -0.706 4.716 10.143 220 HA ILE 26 HA ILE 26 -0.597 6.252 7.918 221 HB ILE 26 HB ILE 26 -2.943 4.410 8.314 222 1HG1 ILE 26 1HG1 ILE 26 -1.076 3.198 9.257 223 2HG1 ILE 26 2HG1 ILE 26 -1.319 2.586 7.623 224 1HG2 ILE 26 1HG2 ILE 26 -2.439 3.873 5.946 225 2HG2 ILE 26 2HG2 ILE 26 -1.115 5.039 5.981 226 3HG2 ILE 26 3HG2 ILE 26 -2.780 5.589 6.174 227 1HD1 ILE 26 1HD1 ILE 26 0.424 4.315 6.884 228 2HD1 ILE 26 2HD1 ILE 26 1.020 2.942 7.814 229 3HD1 ILE 26 3HD1 ILE 26 0.800 4.504 8.597 230 H LYS 27 H LYS 27 -2.758 6.759 10.521 231 HA LYS 27 HA LYS 27 -4.713 8.229 8.951 232 1HB LYS 27 1HB LYS 27 -5.429 6.967 10.938 233 2HB LYS 27 2HB LYS 27 -4.406 7.987 11.952 234 1HG LYS 27 1HG LYS 27 -5.702 9.931 11.488 235 2HG LYS 27 2HG LYS 27 -6.532 9.148 10.143 236 1HD LYS 27 1HD LYS 27 -7.496 7.509 11.816 237 2HD LYS 27 2HD LYS 27 -6.836 8.532 13.094 238 1HE LYS 27 1HE LYS 27 -8.909 9.279 11.018 239 2HE LYS 27 2HE LYS 27 -9.115 9.215 12.768 240 1HZ LYS 27 1HZ LYS 27 -7.770 11.083 13.065 241 2HZ LYS 27 2HZ LYS 27 -8.744 11.479 11.730 242 3HZ LYS 27 3HZ LYS 27 -7.131 11.000 11.495 243 H ASP 28 H ASP 28 -2.031 8.910 11.148 244 HA ASP 28 HA ASP 28 -2.464 11.791 10.957 245 1HB ASP 28 1HB ASP 28 -1.784 10.829 13.107 246 2HB ASP 28 2HB ASP 28 -0.315 10.194 12.369 247 H ILE 29 H ILE 29 -2.100 11.214 8.467 248 HA ILE 29 HA ILE 29 0.634 12.117 7.879 249 HB ILE 29 HB ILE 29 -0.695 9.682 6.678 250 1HG1 ILE 29 1HG1 ILE 29 2.058 10.129 7.881 251 2HG1 ILE 29 2HG1 ILE 29 0.695 9.427 8.750 252 1HG2 ILE 29 1HG2 ILE 29 0.130 10.873 4.783 253 2HG2 ILE 29 2HG2 ILE 29 1.391 9.707 5.176 254 3HG2 ILE 29 3HG2 ILE 29 1.575 11.396 5.647 255 1HD1 ILE 29 1HD1 ILE 29 1.754 7.503 7.997 256 2HD1 ILE 29 2HD1 ILE 29 2.311 8.268 6.509 257 3HD1 ILE 29 3HD1 ILE 29 0.623 7.784 6.672 258 H ASN 30 H ASN 30 0.823 13.029 5.696 259 HA ASN 30 HA ASN 30 -1.522 13.532 4.127 260 1HB ASN 30 1HB ASN 30 -1.609 15.977 4.509 261 2HB ASN 30 2HB ASN 30 -2.033 15.061 5.955 262 1HD2 ASN 30 1HD2 ASN 30 -1.202 17.613 6.467 263 2HD2 ASN 30 2HD2 ASN 30 0.388 17.635 7.063 264 H ARG 31 H ARG 31 1.297 12.651 3.865 265 HA ARG 31 HA ARG 31 2.046 14.517 1.714 266 1HB ARG 31 1HB ARG 31 3.395 14.956 3.825 267 2HB ARG 31 2HB ARG 31 4.096 13.357 3.596 268 1HG ARG 31 1HG ARG 31 5.637 14.670 2.445 269 2HG ARG 31 2HG ARG 31 4.539 14.226 1.139 270 1HD ARG 31 1HD ARG 31 4.566 16.502 0.798 271 2HD ARG 31 2HD ARG 31 3.275 16.442 1.994 272 HE ARG 31 HE ARG 31 4.722 17.417 3.547 273 1HH1 ARG 31 1HH1 ARG 31 6.393 16.401 0.691 274 2HH1 ARG 31 2HH1 ARG 31 7.868 17.211 1.099 275 1HH2 ARG 31 1HH2 ARG 31 6.654 18.484 4.088 276 2HH2 ARG 31 2HH2 ARG 31 8.016 18.389 3.021 277 H PHE 32 H PHE 32 1.913 13.375 -0.052 278 HA PHE 32 HA PHE 32 3.339 10.815 -0.295 279 1HB PHE 32 1HB PHE 32 1.249 10.015 -1.636 280 2HB PHE 32 2HB PHE 32 1.220 9.898 0.123 281 HD1 PHE 32 HD1 PHE 32 0.133 11.772 1.459 282 HD2 PHE 32 HD2 PHE 32 -0.317 11.373 -2.794 283 HE1 PHE 32 HE1 PHE 32 -1.857 13.248 1.531 284 HE2 PHE 32 HE2 PHE 32 -2.308 12.849 -2.722 285 HZ PHE 32 HZ PHE 32 -3.079 13.787 -0.559 286 H VAL 33 H VAL 33 3.646 10.223 -2.582 287 HA VAL 33 HA VAL 33 3.149 12.352 -4.534 288 HB VAL 33 HB VAL 33 5.512 12.483 -5.177 289 1HG1 VAL 33 1HG1 VAL 33 6.198 13.918 -3.393 290 2HG1 VAL 33 2HG1 VAL 33 5.239 13.026 -2.213 291 3HG1 VAL 33 3HG1 VAL 33 4.438 14.012 -3.436 292 1HG2 VAL 33 1HG2 VAL 33 7.135 11.576 -3.350 293 2HG2 VAL 33 2HG2 VAL 33 6.464 10.430 -4.510 294 3HG2 VAL 33 3HG2 VAL 33 5.786 10.538 -2.885 295 H PHE 34 H PHE 34 2.557 11.509 -6.376 296 HA PHE 34 HA PHE 34 3.569 8.846 -7.177 297 1HB PHE 34 1HB PHE 34 1.311 8.434 -6.576 298 2HB PHE 34 2HB PHE 34 0.763 9.958 -7.262 299 HD1 PHE 34 HD1 PHE 34 3.045 7.397 -8.772 300 HD2 PHE 34 HD2 PHE 34 -0.791 9.325 -8.913 301 HE1 PHE 34 HE1 PHE 34 2.560 6.270 -10.923 302 HE2 PHE 34 HE2 PHE 34 -1.275 8.198 -11.067 303 HZ PHE 34 HZ PHE 34 0.399 6.670 -12.072 304 H LYS 35 H LYS 35 5.005 10.918 -7.993 305 HA LYS 35 HA LYS 35 4.093 11.467 -10.762 306 1HB LYS 35 1HB LYS 35 4.198 13.460 -9.187 307 2HB LYS 35 2HB LYS 35 5.944 13.223 -9.149 308 1HG LYS 35 1HG LYS 35 5.784 14.725 -10.910 309 2HG LYS 35 2HG LYS 35 5.669 13.204 -11.794 310 1HD LYS 35 1HD LYS 35 3.219 13.353 -11.779 311 2HD LYS 35 2HD LYS 35 3.302 14.841 -10.832 312 1HE LYS 35 1HE LYS 35 4.605 14.531 -13.548 313 2HE LYS 35 2HE LYS 35 2.982 15.184 -13.323 314 1HZ LYS 35 1HZ LYS 35 5.530 16.275 -12.269 315 2HZ LYS 35 2HZ LYS 35 4.002 16.818 -11.760 316 3HZ LYS 35 3HZ LYS 35 4.476 17.003 -13.382 317 H ASN 36 H ASN 36 5.145 9.545 -11.467 318 HA ASN 36 HA ASN 36 7.524 9.768 -12.732 319 1HB ASN 36 1HB ASN 36 9.040 8.396 -11.098 320 2HB ASN 36 2HB ASN 36 8.892 10.135 -10.873 321 1HD2 ASN 36 1HD2 ASN 36 9.528 9.453 -8.543 322 2HD2 ASN 36 2HD2 ASN 36 8.264 9.017 -7.498 323 H ASN 37 H ASN 37 7.735 7.099 -10.609 324 HA ASN 37 HA ASN 37 5.992 5.361 -12.156 325 1HB ASN 37 1HB ASN 37 8.999 5.018 -12.154 326 2HB ASN 37 2HB ASN 37 7.858 3.786 -12.688 327 1HD2 ASN 37 1HD2 ASN 37 7.218 3.890 -14.856 328 2HD2 ASN 37 2HD2 ASN 37 7.470 5.230 -15.869 329 H VAL 38 H VAL 38 6.708 6.382 -9.337 330 HA VAL 38 HA VAL 38 6.306 3.807 -8.017 331 HB VAL 38 HB VAL 38 8.529 5.673 -7.154 332 1HG1 VAL 38 1HG1 VAL 38 9.101 3.582 -5.777 333 2HG1 VAL 38 2HG1 VAL 38 7.483 3.008 -6.180 334 3HG1 VAL 38 3HG1 VAL 38 7.687 4.500 -5.262 335 1HG2 VAL 38 1HG2 VAL 38 9.227 4.612 -9.205 336 2HG2 VAL 38 2HG2 VAL 38 8.585 3.055 -8.680 337 3HG2 VAL 38 3HG2 VAL 38 9.998 3.742 -7.880 338 H LEU 39 H LEU 39 5.701 4.099 -5.729 339 HA LEU 39 HA LEU 39 4.432 6.738 -5.247 340 1HB LEU 39 1HB LEU 39 3.393 3.953 -5.011 341 2HB LEU 39 2HB LEU 39 2.932 5.070 -3.730 342 HG LEU 39 HG LEU 39 2.269 6.690 -5.622 343 1HD1 LEU 39 1HD1 LEU 39 3.372 5.564 -7.475 344 2HD1 LEU 39 2HD1 LEU 39 1.630 5.511 -7.738 345 3HD1 LEU 39 3HD1 LEU 39 2.476 4.081 -7.150 346 1HD2 LEU 39 1HD2 LEU 39 0.072 5.573 -5.894 347 2HD2 LEU 39 2HD2 LEU 39 0.629 5.515 -4.222 348 3HD2 LEU 39 3HD2 LEU 39 0.763 4.085 -5.246 349 H LEU 40 H LEU 40 5.332 7.776 -3.560 350 HA LEU 40 HA LEU 40 6.493 6.123 -1.394 351 1HB LEU 40 1HB LEU 40 7.678 8.173 -3.018 352 2HB LEU 40 2HB LEU 40 7.597 8.763 -1.362 353 HG LEU 40 HG LEU 40 8.628 5.987 -1.950 354 1HD1 LEU 40 1HD1 LEU 40 9.988 7.423 -3.347 355 2HD1 LEU 40 2HD1 LEU 40 10.925 7.016 -1.909 356 3HD1 LEU 40 3HD1 LEU 40 10.160 8.600 -2.044 357 1HD2 LEU 40 1HD2 LEU 40 9.834 6.386 0.169 358 2HD2 LEU 40 2HD2 LEU 40 8.100 6.623 0.386 359 3HD2 LEU 40 3HD2 LEU 40 9.170 8.018 0.243 360 H ILE 41 H ILE 41 6.152 6.746 0.724 361 HA ILE 41 HA ILE 41 4.348 9.027 1.217 362 HB ILE 41 HB ILE 41 3.847 6.222 2.236 363 1HG1 ILE 41 1HG1 ILE 41 2.403 7.895 0.156 364 2HG1 ILE 41 2HG1 ILE 41 3.315 6.416 -0.147 365 1HG2 ILE 41 1HG2 ILE 41 3.184 8.047 3.791 366 2HG2 ILE 41 2HG2 ILE 41 1.788 7.184 3.153 367 3HG2 ILE 41 3HG2 ILE 41 2.218 8.766 2.503 368 1HD1 ILE 41 1HD1 ILE 41 1.742 5.231 1.443 369 2HD1 ILE 41 2HD1 ILE 41 0.990 5.799 -0.048 370 3HD1 ILE 41 3HD1 ILE 41 0.759 6.697 1.452 371 H LEU 42 H LEU 42 4.754 10.083 3.086 372 HA LEU 42 HA LEU 42 7.161 9.671 4.468 373 1HB LEU 42 1HB LEU 42 5.066 11.585 4.450 374 2HB LEU 42 2HB LEU 42 5.289 11.098 6.125 375 HG LEU 42 HG LEU 42 6.750 12.976 5.670 376 1HD1 LEU 42 1HD1 LEU 42 7.594 10.617 6.769 377 2HD1 LEU 42 2HD1 LEU 42 8.549 12.097 6.746 378 3HD1 LEU 42 3HD1 LEU 42 8.813 10.860 5.519 379 1HD2 LEU 42 1HD2 LEU 42 8.178 13.152 3.825 380 2HD2 LEU 42 2HD2 LEU 42 6.786 12.332 3.120 381 3HD2 LEU 42 3HD2 LEU 42 8.221 11.412 3.563 382 H LEU 43 H LEU 43 7.727 8.562 6.231 383 HA LEU 43 HA LEU 43 5.839 7.633 8.191 384 1HB LEU 43 1HB LEU 43 5.624 5.942 6.312 385 2HB LEU 43 2HB LEU 43 7.308 5.515 6.618 386 HG LEU 43 HG LEU 43 6.516 5.283 9.117 387 1HD1 LEU 43 1HD1 LEU 43 3.934 5.082 7.545 388 2HD1 LEU 43 2HD1 LEU 43 4.275 6.114 8.934 389 3HD1 LEU 43 3HD1 LEU 43 4.138 4.370 9.145 390 1HD2 LEU 43 1HD2 LEU 43 5.701 3.243 7.028 391 2HD2 LEU 43 2HD2 LEU 43 6.030 2.918 8.730 392 3HD2 LEU 43 3HD2 LEU 43 7.331 3.441 7.664 393 H GLU 44 H GLU 44 7.036 8.408 9.850 394 HA GLU 44 HA GLU 44 9.923 7.960 9.922 395 1HB GLU 44 1HB GLU 44 8.271 9.294 12.060 396 2HB GLU 44 2HB GLU 44 9.981 9.520 11.692 397 1HG GLU 44 1HG GLU 44 8.933 11.424 10.756 398 2HG GLU 44 2HG GLU 44 9.191 10.350 9.382 399 H ASN 45 H ASN 45 7.027 7.086 11.785 400 HA ASN 45 HA ASN 45 7.967 5.837 13.978 401 1HB ASN 45 1HB ASN 45 5.683 5.377 12.192 402 2HB ASN 45 2HB ASN 45 6.160 3.941 13.095 403 1HD2 ASN 45 1HD2 ASN 45 5.647 7.469 13.710 404 2HD2 ASN 45 2HD2 ASN 45 4.922 7.239 15.227 405 H GLU 46 H GLU 46 9.590 4.500 14.336 406 HA GLU 46 HA GLU 46 10.954 3.048 12.351 407 1HB GLU 46 1HB GLU 46 12.028 3.672 14.447 408 2HB GLU 46 2HB GLU 46 10.905 2.654 15.350 409 1HG GLU 46 1HG GLU 46 11.795 0.657 14.432 410 2HG GLU 46 2HG GLU 46 12.636 1.527 13.150 411 H PHE 47 H PHE 47 8.498 2.050 14.711 412 HA PHE 47 HA PHE 47 8.577 -0.709 14.039 413 1HB PHE 47 1HB PHE 47 7.624 -0.013 16.153 414 2HB PHE 47 2HB PHE 47 6.416 0.974 15.331 415 HD1 PHE 47 HD1 PHE 47 7.697 -2.560 15.233 416 HD2 PHE 47 HD2 PHE 47 4.287 0.051 15.105 417 HE1 PHE 47 HE1 PHE 47 6.194 -4.528 15.087 418 HE2 PHE 47 HE2 PHE 47 2.786 -1.917 14.959 419 HZ PHE 47 HZ PHE 47 3.740 -4.206 14.950 420 H ALA 48 H ALA 48 5.920 1.594 13.426 421 HA ALA 48 HA ALA 48 4.389 0.259 11.670 422 1HB ALA 48 1HB ALA 48 4.135 2.671 12.415 423 2HB ALA 48 2HB ALA 48 3.688 2.342 10.740 424 3HB ALA 48 3HB ALA 48 5.238 3.101 11.106 425 H ARG 49 H ARG 49 7.543 1.612 11.017 426 HA ARG 49 HA ARG 49 7.430 1.134 8.168 427 1HB ARG 49 1HB ARG 49 8.751 2.966 9.419 428 2HB ARG 49 2HB ARG 49 9.919 1.694 9.770 429 1HG ARG 49 1HG ARG 49 10.532 1.450 7.539 430 2HG ARG 49 2HG ARG 49 8.995 2.063 6.933 431 1HD ARG 49 1HD ARG 49 9.643 4.259 7.112 432 2HD ARG 49 2HD ARG 49 10.635 3.963 8.536 433 HE ARG 49 HE ARG 49 11.489 3.795 5.769 434 1HH1 ARG 49 1HH1 ARG 49 12.035 2.873 9.060 435 2HH1 ARG 49 2HH1 ARG 49 13.731 2.595 8.845 436 1HH2 ARG 49 1HH2 ARG 49 13.712 3.433 5.480 437 2HH2 ARG 49 2HH2 ARG 49 14.681 2.912 6.819 438 H ASN 50 H ASN 50 8.809 -0.429 11.010 439 HA ASN 50 HA ASN 50 10.519 -2.243 9.834 440 1HB ASN 50 1HB ASN 50 10.260 -1.922 12.269 441 2HB ASN 50 2HB ASN 50 8.709 -2.758 12.201 442 1HD2 ASN 50 1HD2 ASN 50 12.098 -3.229 12.527 443 2HD2 ASN 50 2HD2 ASN 50 12.103 -4.917 12.353 444 H SER 51 H SER 51 7.120 -2.752 10.718 445 HA SER 51 HA SER 51 6.821 -5.289 9.440 446 1HB SER 51 1HB SER 51 5.245 -3.487 11.064 447 2HB SER 51 2HB SER 51 4.286 -4.168 9.756 448 HG SER 51 HG SER 51 4.754 -5.358 11.929 449 H LEU 52 H LEU 52 5.721 -2.001 8.561 450 HA LEU 52 HA LEU 52 4.255 -2.609 6.317 451 1HB LEU 52 1HB LEU 52 5.908 -0.239 7.092 452 2HB LEU 52 2HB LEU 52 5.258 -0.315 5.457 453 HG LEU 52 HG LEU 52 3.601 -0.624 7.980 454 1HD1 LEU 52 1HD1 LEU 52 4.257 1.650 7.942 455 2HD1 LEU 52 2HD1 LEU 52 2.687 1.639 7.144 456 3HD1 LEU 52 3HD1 LEU 52 4.160 1.736 6.184 457 1HD2 LEU 52 1HD2 LEU 52 3.069 -0.941 5.082 458 2HD2 LEU 52 2HD2 LEU 52 1.898 0.062 5.935 459 3HD2 LEU 52 3HD2 LEU 52 2.191 -1.592 6.465 460 H ASN 53 H ASN 53 7.754 -1.818 6.303 461 HA ASN 53 HA ASN 53 8.011 -2.559 3.558 462 1HB ASN 53 1HB ASN 53 9.536 -0.979 4.904 463 2HB ASN 53 2HB ASN 53 10.300 -2.443 5.519 464 1HD2 ASN 53 1HD2 ASN 53 12.246 -1.482 4.282 465 2HD2 ASN 53 2HD2 ASN 53 12.377 -1.858 2.632 466 H ASP 54 H ASP 54 7.730 -4.405 6.378 467 HA ASP 54 HA ASP 54 9.400 -6.607 5.625 468 1HB ASP 54 1HB ASP 54 8.429 -6.089 7.956 469 2HB ASP 54 2HB ASP 54 6.944 -6.828 7.361 470 H ASN 55 H ASN 55 6.177 -5.537 4.924 471 HA ASN 55 HA ASN 55 5.898 -7.339 2.706 472 1HB ASN 55 1HB ASN 55 3.813 -8.428 3.555 473 2HB ASN 55 2HB ASN 55 5.264 -8.922 4.425 474 1HD2 ASN 55 1HD2 ASN 55 2.718 -9.153 5.667 475 2HD2 ASN 55 2HD2 ASN 55 2.624 -8.023 6.931 476 H SER 56 H SER 56 5.716 -5.206 1.761 477 HA SER 56 HA SER 56 3.130 -3.867 2.285 478 1HB SER 56 1HB SER 56 4.359 -1.954 0.998 479 2HB SER 56 2HB SER 56 4.753 -2.254 2.686 480 HG SER 56 HG SER 56 6.143 -3.694 0.746 481 H GLU 57 H GLU 57 2.614 -5.927 0.805 482 HA GLU 57 HA GLU 57 3.087 -5.599 -2.005 483 1HB GLU 57 1HB GLU 57 1.063 -7.275 -0.502 484 2HB GLU 57 2HB GLU 57 1.362 -7.379 -2.236 485 1HG GLU 57 1HG GLU 57 2.701 -9.096 -1.291 486 2HG GLU 57 2HG GLU 57 3.824 -7.779 -1.623 487 H ILE 58 H ILE 58 2.142 -3.191 -0.929 488 HA ILE 58 HA ILE 58 -0.635 -2.807 -1.215 489 HB ILE 58 HB ILE 58 1.469 -0.710 -1.732 490 1HG1 ILE 58 1HG1 ILE 58 2.152 -1.803 0.297 491 2HG1 ILE 58 2HG1 ILE 58 1.316 -0.326 0.772 492 1HG2 ILE 58 1HG2 ILE 58 -0.411 0.552 -0.338 493 2HG2 ILE 58 2HG2 ILE 58 -1.431 -0.741 -0.970 494 3HG2 ILE 58 3HG2 ILE 58 -0.573 0.330 -2.079 495 1HD1 ILE 58 1HD1 ILE 58 0.326 -3.170 0.901 496 2HD1 ILE 58 2HD1 ILE 58 -0.806 -1.818 0.887 497 3HD1 ILE 58 3HD1 ILE 58 0.378 -1.963 2.185 498 H ILE 59 H ILE 59 1.480 -3.767 -3.538 499 HA ILE 59 HA ILE 59 0.343 -2.198 -5.730 500 HB ILE 59 HB ILE 59 2.660 -2.647 -6.005 501 1HG1 ILE 59 1HG1 ILE 59 1.443 -4.878 -7.638 502 2HG1 ILE 59 2HG1 ILE 59 1.032 -3.195 -7.969 503 1HG2 ILE 59 1HG2 ILE 59 3.060 -4.368 -4.418 504 2HG2 ILE 59 2HG2 ILE 59 3.456 -5.088 -5.978 505 3HG2 ILE 59 3HG2 ILE 59 1.919 -5.462 -5.199 506 1HD1 ILE 59 1HD1 ILE 59 3.428 -2.660 -8.243 507 2HD1 ILE 59 2HD1 ILE 59 2.925 -3.919 -9.371 508 3HD1 ILE 59 3HD1 ILE 59 3.838 -4.346 -7.924 509 H HIS 60 H HIS 60 -0.567 -4.718 -3.878 510 HA HIS 60 HA HIS 60 -1.748 -6.531 -5.824 511 1HB HIS 60 1HB HIS 60 -1.844 -6.213 -2.834 512 2HB HIS 60 2HB HIS 60 -2.936 -7.314 -3.672 513 HD1 HIS 60 HD1 HIS 60 0.462 -6.853 -5.110 514 HD2 HIS 60 HD2 HIS 60 -1.455 -9.543 -2.567 515 HE1 HIS 60 HE1 HIS 60 1.987 -8.866 -4.916 516 HE2 HIS 60 HE2 HIS 60 0.830 -10.517 -3.371 517 H LEU 61 H LEU 61 -2.666 -3.549 -4.321 518 HA LEU 61 HA LEU 61 -5.415 -3.920 -5.371 519 1HB LEU 61 1HB LEU 61 -5.099 -1.816 -3.354 520 2HB LEU 61 2HB LEU 61 -6.290 -3.109 -3.454 521 HG LEU 61 HG LEU 61 -4.449 -4.691 -2.671 522 1HD1 LEU 61 1HD1 LEU 61 -2.968 -2.625 -1.278 523 2HD1 LEU 61 2HD1 LEU 61 -2.883 -2.359 -3.017 524 3HD1 LEU 61 3HD1 LEU 61 -2.367 -3.899 -2.336 525 1HD2 LEU 61 1HD2 LEU 61 -4.572 -3.502 -0.254 526 2HD2 LEU 61 2HD2 LEU 61 -5.962 -4.316 -0.974 527 3HD2 LEU 61 3HD2 LEU 61 -5.814 -2.562 -1.080 528 H ALA 62 H ALA 62 -2.741 -1.689 -4.843 529 HA ALA 62 HA ALA 62 -3.847 0.559 -6.154 530 1HB ALA 62 1HB ALA 62 -1.665 1.478 -6.065 531 2HB ALA 62 2HB ALA 62 -0.910 -0.117 -6.050 532 3HB ALA 62 3HB ALA 62 -1.793 0.454 -4.634 533 H GLU 63 H GLU 63 -2.870 -2.428 -7.454 534 HA GLU 63 HA GLU 63 -1.891 -1.397 -9.955 535 1HB GLU 63 1HB GLU 63 -1.970 -3.748 -10.709 536 2HB GLU 63 2HB GLU 63 -1.151 -3.593 -9.157 537 1HG GLU 63 1HG GLU 63 -2.703 -4.867 -8.101 538 2HG GLU 63 2HG GLU 63 -4.038 -3.984 -8.832 539 H SER 64 H SER 64 -4.686 -0.792 -8.836 540 HA SER 64 HA SER 64 -6.218 -1.503 -11.275 541 1HB SER 64 1HB SER 64 -7.160 -1.110 -8.431 542 2HB SER 64 2HB SER 64 -8.244 -1.221 -9.814 543 HG SER 64 HG SER 64 -7.176 -3.266 -10.262 544 H LEU 65 H LEU 65 -6.575 0.837 -8.616 545 HA LEU 65 HA LEU 65 -7.868 2.859 -9.853 546 1HB LEU 65 1HB LEU 65 -7.155 2.900 -7.487 547 2HB LEU 65 2HB LEU 65 -5.501 3.225 -8.002 548 HG LEU 65 HG LEU 65 -6.274 5.314 -9.105 549 1HD1 LEU 65 1HD1 LEU 65 -8.924 4.281 -8.140 550 2HD1 LEU 65 2HD1 LEU 65 -8.518 5.053 -9.672 551 3HD1 LEU 65 3HD1 LEU 65 -8.663 6.024 -8.210 552 1HD2 LEU 65 1HD2 LEU 65 -5.442 5.400 -6.798 553 2HD2 LEU 65 2HD2 LEU 65 -7.051 5.024 -6.189 554 3HD2 LEU 65 3HD2 LEU 65 -6.755 6.557 -7.008 555 H TYR 66 H TYR 66 -4.593 1.867 -10.474 556 HA TYR 66 HA TYR 66 -4.292 4.113 -12.386 557 1HB TYR 66 1HB TYR 66 -2.088 2.575 -10.993 558 2HB TYR 66 2HB TYR 66 -1.895 3.974 -12.050 559 HD1 TYR 66 HD1 TYR 66 -2.477 6.218 -11.299 560 HD2 TYR 66 HD2 TYR 66 -3.033 2.816 -8.738 561 HE1 TYR 66 HE1 TYR 66 -2.794 7.731 -9.358 562 HE2 TYR 66 HE2 TYR 66 -3.353 4.329 -6.796 563 HH TYR 66 HH TYR 66 -3.961 7.596 -7.096 564 H GLU 67 H GLU 67 -2.184 3.238 -13.846 565 HA GLU 67 HA GLU 67 -3.400 1.255 -15.529 566 1HB GLU 67 1HB GLU 67 -2.277 2.808 -16.813 567 2HB GLU 67 2HB GLU 67 -0.995 3.019 -15.623 568 1HG GLU 67 1HG GLU 67 0.105 1.038 -16.279 569 2HG GLU 67 2HG GLU 67 -1.315 0.430 -17.130 570 H GLY 68 H GLY 68 -0.190 1.405 -13.956 571 1HA GLY 68 1HA GLY 68 -0.392 -1.306 -13.003 572 2HA GLY 68 2HA GLY 68 0.696 -1.144 -14.378 573 H ILE 69 H ILE 69 0.094 -0.120 -11.061 574 HA ILE 69 HA ILE 69 2.291 1.519 -10.608 575 HB ILE 69 HB ILE 69 1.132 -0.504 -8.676 576 1HG1 ILE 69 1HG1 ILE 69 -0.459 1.187 -9.887 577 2HG1 ILE 69 2HG1 ILE 69 -0.549 1.044 -8.135 578 1HG2 ILE 69 1HG2 ILE 69 2.824 1.978 -8.372 579 2HG2 ILE 69 2HG2 ILE 69 3.119 0.362 -7.730 580 3HG2 ILE 69 3HG2 ILE 69 1.839 1.363 -7.044 581 1HD1 ILE 69 1HD1 ILE 69 1.341 3.060 -9.300 582 2HD1 ILE 69 2HD1 ILE 69 0.460 3.100 -7.773 583 3HD1 ILE 69 3HD1 ILE 69 -0.382 3.426 -9.286 584 H LYS 70 H LYS 70 4.418 1.191 -10.059 585 HA LYS 70 HA LYS 70 5.566 -1.363 -10.858 586 1HB LYS 70 1HB LYS 70 6.506 0.900 -11.514 587 2HB LYS 70 2HB LYS 70 7.015 1.081 -9.837 588 1HG LYS 70 1HG LYS 70 8.927 0.131 -10.758 589 2HG LYS 70 2HG LYS 70 8.075 -1.315 -10.219 590 1HD LYS 70 1HD LYS 70 7.196 -1.694 -12.454 591 2HD LYS 70 2HD LYS 70 7.877 -0.167 -13.020 592 1HE LYS 70 1HE LYS 70 9.188 -2.384 -13.479 593 2HE LYS 70 2HE LYS 70 10.076 -0.962 -12.931 594 1HZ LYS 70 1HZ LYS 70 10.466 -3.191 -11.750 595 2HZ LYS 70 2HZ LYS 70 8.980 -2.887 -10.985 596 3HZ LYS 70 3HZ LYS 70 10.272 -1.798 -10.802 597 H SER 71 H SER 71 5.224 0.610 -7.944 598 HA SER 71 HA SER 71 5.339 -1.597 -6.189 599 1HB SER 71 1HB SER 71 7.496 -1.610 -5.352 600 2HB SER 71 2HB SER 71 7.823 -1.229 -7.040 601 HG SER 71 HG SER 71 7.596 0.573 -4.856 602 H VAL 72 H VAL 72 5.899 -0.719 -3.849 603 HA VAL 72 HA VAL 72 5.058 2.063 -3.478 604 HB VAL 72 HB VAL 72 3.592 -0.220 -2.140 605 1HG1 VAL 72 1HG1 VAL 72 2.958 2.741 -2.303 606 2HG1 VAL 72 2HG1 VAL 72 3.742 1.970 -0.924 607 3HG1 VAL 72 3HG1 VAL 72 2.092 1.528 -1.361 608 1HG2 VAL 72 1HG2 VAL 72 2.882 1.468 -4.551 609 2HG2 VAL 72 2HG2 VAL 72 1.667 0.604 -3.610 610 3HG2 VAL 72 3HG2 VAL 72 2.937 -0.291 -4.444 611 H ASN 73 H ASN 73 5.736 2.937 -1.527 612 HA ASN 73 HA ASN 73 6.800 1.341 0.614 613 1HB ASN 73 1HB ASN 73 8.559 1.172 -1.212 614 2HB ASN 73 2HB ASN 73 8.826 2.899 -0.985 615 1HD2 ASN 73 1HD2 ASN 73 10.874 2.844 0.056 616 2HD2 ASN 73 2HD2 ASN 73 11.143 2.066 1.541 617 H PHE 74 H PHE 74 7.721 2.564 2.308 618 HA PHE 74 HA PHE 74 7.122 5.451 2.295 619 1HB PHE 74 1HB PHE 74 6.536 4.254 4.875 620 2HB PHE 74 2HB PHE 74 5.501 5.256 3.861 621 HD1 PHE 74 HD1 PHE 74 6.965 1.797 3.718 622 HD2 PHE 74 HD2 PHE 74 3.479 4.261 3.247 623 HE1 PHE 74 HE1 PHE 74 5.633 -0.201 3.116 624 HE2 PHE 74 HE2 PHE 74 2.147 2.260 2.644 625 HZ PHE 74 HZ PHE 74 3.223 0.028 2.577 626 H VAL 75 H VAL 75 8.504 6.676 3.607 627 HA VAL 75 HA VAL 75 10.512 5.265 5.213 628 HB VAL 75 HB VAL 75 12.386 6.339 4.074 629 1HG1 VAL 75 1HG1 VAL 75 10.626 4.982 2.017 630 2HG1 VAL 75 2HG1 VAL 75 11.462 4.105 3.299 631 3HG1 VAL 75 3HG1 VAL 75 12.389 4.989 2.087 632 1HG2 VAL 75 1HG2 VAL 75 10.228 7.393 2.221 633 2HG2 VAL 75 2HG2 VAL 75 11.959 7.523 1.914 634 3HG2 VAL 75 3HG2 VAL 75 11.242 8.355 3.293 635 H ASN 76 H ASN 76 12.194 7.150 5.929 636 HA ASN 76 HA ASN 76 10.575 8.945 7.500 637 1HB ASN 76 1HB ASN 76 13.548 9.205 7.358 638 2HB ASN 76 2HB ASN 76 12.476 9.331 8.751 639 1HD2 ASN 76 1HD2 ASN 76 14.559 7.196 7.030 640 2HD2 ASN 76 2HD2 ASN 76 14.147 5.774 7.860 641 H GLU 77 H GLU 77 10.932 11.249 7.612 642 HA GLU 77 HA GLU 77 10.380 12.699 5.424 643 1HB GLU 77 1HB GLU 77 10.653 13.490 7.849 644 2HB GLU 77 2HB GLU 77 12.345 13.776 7.442 645 1HG GLU 77 1HG GLU 77 10.039 14.921 5.846 646 2HG GLU 77 2HG GLU 77 10.829 15.788 7.162 647 H GLN 78 H GLN 78 13.751 12.736 6.628 648 HA GLN 78 HA GLN 78 14.941 13.868 4.437 649 1HB GLN 78 1HB GLN 78 16.305 11.609 5.874 650 2HB GLN 78 2HB GLN 78 16.985 13.130 5.294 651 1HG GLN 78 1HG GLN 78 15.423 14.277 6.987 652 2HG GLN 78 2HG GLN 78 15.204 12.677 7.690 653 1HE2 GLN 78 1HE2 GLN 78 17.814 11.620 7.448 654 2HE2 GLN 78 2HE2 GLN 78 18.878 12.548 8.391 655 H ASP 79 H ASP 79 14.572 10.371 5.016 656 HA ASP 79 HA ASP 79 15.701 9.431 2.662 657 1HB ASP 79 1HB ASP 79 13.394 8.375 4.296 658 2HB ASP 79 2HB ASP 79 14.063 7.499 2.922 659 H PHE 80 H PHE 80 12.184 9.859 3.195 660 HA PHE 80 HA PHE 80 11.223 9.490 0.683 661 1HB PHE 80 1HB PHE 80 9.588 9.931 2.274 662 2HB PHE 80 2HB PHE 80 10.449 11.323 2.923 663 HD1 PHE 80 HD1 PHE 80 8.101 10.138 0.391 664 HD2 PHE 80 HD2 PHE 80 10.424 13.498 1.713 665 HE1 PHE 80 HE1 PHE 80 6.743 11.640 -1.042 666 HE2 PHE 80 HE2 PHE 80 9.071 15.001 0.279 667 HZ PHE 80 HZ PHE 80 7.228 14.072 -1.098 668 H PHE 81 H PHE 81 12.476 12.571 1.981 669 HA PHE 81 HA PHE 81 12.152 14.093 -0.340 670 1HB PHE 81 1HB PHE 81 13.120 14.587 2.179 671 2HB PHE 81 2HB PHE 81 14.562 14.774 1.175 672 HD1 PHE 81 HD1 PHE 81 14.430 16.249 -0.893 673 HD2 PHE 81 HD2 PHE 81 11.383 16.212 2.132 674 HE1 PHE 81 HE1 PHE 81 13.543 18.393 -1.764 675 HE2 PHE 81 HE2 PHE 81 10.498 18.360 1.268 676 HZ PHE 81 HZ PHE 81 11.580 19.455 -0.678 677 H PHE 82 H PHE 82 15.232 12.673 0.840 678 HA PHE 82 HA PHE 82 16.991 13.083 -1.074 679 1HB PHE 82 1HB PHE 82 17.098 11.349 0.827 680 2HB PHE 82 2HB PHE 82 16.455 10.205 -0.351 681 HD1 PHE 82 HD1 PHE 82 19.163 12.771 0.036 682 HD2 PHE 82 HD2 PHE 82 17.933 9.074 -1.775 683 HE1 PHE 82 HE1 PHE 82 21.433 12.482 -0.917 684 HE2 PHE 82 HE2 PHE 82 20.205 8.787 -2.728 685 HZ PHE 82 HZ PHE 82 21.955 10.490 -2.299 686 H ASN 83 H ASN 83 14.220 10.912 -1.490 687 HA ASN 83 HA ASN 83 14.884 10.006 -4.097 688 1HB ASN 83 1HB ASN 83 13.111 9.083 -2.485 689 2HB ASN 83 2HB ASN 83 12.069 10.374 -3.081 690 1HD2 ASN 83 1HD2 ASN 83 13.546 7.296 -3.902 691 2HD2 ASN 83 2HD2 ASN 83 12.800 7.130 -5.418 692 H LEU 84 H LEU 84 13.001 12.760 -2.922 693 HA LEU 84 HA LEU 84 12.254 13.713 -5.538 694 1HB LEU 84 1HB LEU 84 12.142 14.870 -2.752 695 2HB LEU 84 2HB LEU 84 11.707 15.826 -4.164 696 HG LEU 84 HG LEU 84 9.789 14.660 -2.971 697 1HD1 LEU 84 1HD1 LEU 84 8.611 14.355 -4.978 698 2HD1 LEU 84 2HD1 LEU 84 10.008 13.687 -5.817 699 3HD1 LEU 84 3HD1 LEU 84 9.928 15.415 -5.476 700 1HD2 LEU 84 1HD2 LEU 84 10.876 12.199 -4.368 701 2HD2 LEU 84 2HD2 LEU 84 9.505 12.295 -3.263 702 3HD2 LEU 84 3HD2 LEU 84 11.143 12.523 -2.656 703 H ALA 85 H ALA 85 15.162 13.838 -3.761 704 HA ALA 85 HA ALA 85 15.932 16.434 -4.716 705 1HB ALA 85 1HB ALA 85 18.063 16.024 -3.662 706 2HB ALA 85 2HB ALA 85 17.748 14.290 -3.587 707 3HB ALA 85 3HB ALA 85 16.809 15.403 -2.589 708 H LYS 86 H LYS 86 16.270 13.132 -5.783 709 HA LYS 86 HA LYS 86 18.380 13.391 -7.609 710 1HB LYS 86 1HB LYS 86 17.668 11.196 -7.142 711 2HB LYS 86 2HB LYS 86 15.979 11.578 -7.472 712 1HG LYS 86 1HG LYS 86 16.340 11.681 -9.815 713 2HG LYS 86 2HG LYS 86 18.092 11.774 -9.620 714 1HD LYS 86 1HD LYS 86 18.018 9.455 -8.619 715 2HD LYS 86 2HD LYS 86 16.316 9.379 -9.082 716 1HE LYS 86 1HE LYS 86 17.119 9.992 -11.455 717 2HE LYS 86 2HE LYS 86 18.735 9.585 -10.879 718 1HZ LYS 86 1HZ LYS 86 16.516 7.859 -11.504 719 2HZ LYS 86 2HZ LYS 86 17.266 7.497 -10.023 720 3HZ LYS 86 3HZ LYS 86 18.177 7.516 -11.457 721 H LEU 87 H LEU 87 15.133 14.554 -7.729 722 HA LEU 87 HA LEU 87 14.256 14.722 -10.221 723 1HB LEU 87 1HB LEU 87 14.092 16.434 -7.964 724 2HB LEU 87 2HB LEU 87 14.407 17.469 -9.351 725 HG LEU 87 HG LEU 87 12.533 16.156 -10.541 726 1HD1 LEU 87 1HD1 LEU 87 12.051 15.354 -7.655 727 2HD1 LEU 87 2HD1 LEU 87 12.366 14.272 -9.010 728 3HD1 LEU 87 3HD1 LEU 87 10.859 15.182 -8.942 729 1HD2 LEU 87 1HD2 LEU 87 12.104 18.413 -9.897 730 2HD2 LEU 87 2HD2 LEU 87 12.067 17.994 -8.184 731 3HD2 LEU 87 3HD2 LEU 87 10.756 17.480 -9.246 732 H GLU 88 H GLU 88 14.685 15.703 -12.174 733 HA GLU 88 HA GLU 88 15.963 16.559 -13.877 734 1HB GLU 88 1HB GLU 88 17.404 18.127 -11.731 735 2HB GLU 88 2HB GLU 88 17.248 18.532 -13.441 736 1HG GLU 88 1HG GLU 88 14.712 18.541 -13.043 737 2HG GLU 88 2HG GLU 88 15.096 18.543 -11.322 738 H GLU 89 H GLU 89 16.776 14.215 -13.679 739 HA GLU 89 HA GLU 89 19.579 14.216 -14.120 740 1HB GLU 89 1HB GLU 89 19.402 14.328 -11.561 741 2HB GLU 89 2HB GLU 89 18.783 12.679 -11.650 742 1HG GLU 89 1HG GLU 89 20.827 12.014 -12.910 743 2HG GLU 89 2HG GLU 89 21.455 13.648 -12.706 744 H ASN 90 H ASN 90 17.630 13.392 -15.746 745 HA ASN 90 HA ASN 90 18.195 10.563 -16.037 746 1HB ASN 90 1HB ASN 90 16.208 10.612 -14.529 747 2HB ASN 90 2HB ASN 90 15.324 11.482 -15.780 748 1HD2 ASN 90 1HD2 ASN 90 14.736 8.753 -14.733 749 2HD2 ASN 90 2HD2 ASN 90 14.834 7.713 -16.071 750 H SER 91 H SER 91 15.323 11.220 -17.551 751 HA SER 91 HA SER 91 16.538 12.486 -19.909 752 1HB SER 91 1HB SER 91 16.770 10.047 -20.233 753 2HB SER 91 2HB SER 91 15.035 9.859 -20.002 754 HG SER 91 HG SER 91 14.832 10.356 -22.023 755 H ARG 92 H ARG 92 14.622 13.390 -17.916 756 HA ARG 92 HA ARG 92 12.157 13.582 -19.539 757 1HB ARG 92 1HB ARG 92 12.671 13.309 -16.671 758 2HB ARG 92 2HB ARG 92 11.594 14.656 -17.029 759 1HG ARG 92 1HG ARG 92 10.230 12.684 -16.732 760 2HG ARG 92 2HG ARG 92 10.224 13.080 -18.450 761 1HD ARG 92 1HD ARG 92 12.245 11.443 -18.599 762 2HD ARG 92 2HD ARG 92 11.691 10.863 -17.032 763 HE ARG 92 HE ARG 92 10.484 10.306 -19.557 764 1HH1 ARG 92 1HH1 ARG 92 9.824 10.970 -16.225 765 2HH1 ARG 92 2HH1 ARG 92 8.328 10.098 -16.205 766 1HH2 ARG 92 1HH2 ARG 92 8.523 9.162 -19.538 767 2HH2 ARG 92 2HH2 ARG 92 7.589 9.076 -18.081 768 H ASP 93 H ASP 93 14.483 15.462 -17.631 769 HA ASP 93 HA ASP 93 13.319 17.995 -18.376 770 1HB ASP 93 1HB ASP 93 15.385 18.927 -17.304 771 2HB ASP 93 2HB ASP 93 14.462 17.849 -16.258 772 H THR 94 H THR 94 14.281 19.577 -19.725 773 HA THR 94 HA THR 94 16.032 18.445 -21.828 774 HB THR 94 HB THR 94 13.742 19.148 -22.542 775 HG1 THR 94 HG1 THR 94 16.012 20.544 -23.481 776 1HG2 THR 94 1HG2 THR 94 14.694 21.960 -21.984 777 2HG2 THR 94 2HG2 THR 94 13.687 21.063 -20.848 778 3HG2 THR 94 3HG2 THR 94 13.080 21.435 -22.462 779 H LEU 95 H LEU 95 16.162 20.356 -19.167 780 HA LEU 95 HA LEU 95 17.438 22.713 -19.890 781 1HB LEU 95 1HB LEU 95 18.030 20.953 -17.498 782 2HB LEU 95 2HB LEU 95 18.462 22.656 -17.654 783 HG LEU 95 HG LEU 95 15.595 21.881 -18.077 784 1HD1 LEU 95 1HD1 LEU 95 16.233 20.692 -16.012 785 2HD1 LEU 95 2HD1 LEU 95 15.166 22.051 -15.656 786 3HD1 LEU 95 3HD1 LEU 95 16.900 22.187 -15.356 787 1HD2 LEU 95 1HD2 LEU 95 15.225 24.106 -17.125 788 2HD2 LEU 95 2HD2 LEU 95 16.430 24.212 -18.407 789 3HD2 LEU 95 3HD2 LEU 95 16.935 24.242 -16.717 790 H TYR 96 H TYR 96 19.474 23.281 -20.494 791 HA TYR 96 HA TYR 96 21.271 21.102 -21.287 792 1HB TYR 96 1HB TYR 96 20.543 23.151 -22.754 793 2HB TYR 96 2HB TYR 96 21.785 24.010 -21.844 794 HD1 TYR 96 HD1 TYR 96 21.350 20.682 -23.545 795 HD2 TYR 96 HD2 TYR 96 23.921 24.038 -22.778 796 HE1 TYR 96 HE1 TYR 96 23.097 19.674 -24.987 797 HE2 TYR 96 HE2 TYR 96 25.666 23.031 -24.221 798 HH TYR 96 HH TYR 96 26.289 20.716 -25.007 799 H GLN 97 H GLN 97 23.647 22.723 -21.268 800 HA GLN 97 HA GLN 97 24.160 22.894 -18.354 801 1HB GLN 97 1HB GLN 97 26.366 22.031 -18.723 802 2HB GLN 97 2HB GLN 97 25.243 20.946 -19.541 803 1HG GLN 97 1HG GLN 97 25.656 22.325 -21.650 804 2HG GLN 97 2HG GLN 97 26.994 23.077 -20.782 805 1HE2 GLN 97 1HE2 GLN 97 27.590 21.579 -23.077 806 2HE2 GLN 97 2HE2 GLN 97 28.358 20.134 -22.629 807 H ASN 98 H ASN 98 23.609 24.812 -20.836 808 HA ASN 98 HA ASN 98 25.134 26.993 -19.754 809 1HB ASN 98 1HB ASN 98 26.844 25.860 -21.168 810 2HB ASN 98 2HB ASN 98 25.798 26.096 -22.567 811 1HD2 ASN 98 1HD2 ASN 98 26.451 28.365 -19.855 812 2HD2 ASN 98 2HD2 ASN 98 27.081 29.595 -20.842 813 H SER 99 H SER 99 23.643 26.012 -22.852 814 HA SER 99 HA SER 99 21.449 27.844 -22.493 815 1HB SER 99 1HB SER 99 23.365 28.441 -24.752 816 2HB SER 99 2HB SER 99 21.935 29.358 -24.284 817 HG SER 99 HG SER 99 23.497 30.429 -23.268 818 H GLY 100 H GLY 100 19.753 27.398 -23.868 819 1HA GLY 100 1HA GLY 100 18.573 26.362 -25.579 820 2HA GLY 100 2HA GLY 100 20.097 25.765 -26.228 Start of MODEL 14 1 H MET 1 H MET 1 -10.520 14.410 -8.727 2 HA MET 1 HA MET 1 -9.330 14.999 -6.154 3 1HB MET 1 1HB MET 1 -11.100 16.315 -7.483 4 2HB MET 1 2HB MET 1 -12.230 15.049 -7.000 5 1HG MET 1 1HG MET 1 -11.736 15.481 -4.635 6 2HG MET 1 2HG MET 1 -10.558 16.713 -5.091 7 1HE MET 1 1HE MET 1 -13.230 17.068 -3.132 8 2HE MET 1 2HE MET 1 -13.447 18.765 -3.550 9 3HE MET 1 3HE MET 1 -11.821 18.112 -3.371 10 H GLU 2 H GLU 2 -11.529 12.633 -7.604 11 HA GLU 2 HA GLU 2 -12.157 11.378 -5.082 12 1HB GLU 2 1HB GLU 2 -13.354 9.744 -6.444 13 2HB GLU 2 2HB GLU 2 -13.741 11.377 -6.985 14 1HG GLU 2 1HG GLU 2 -13.303 10.289 -9.009 15 2HG GLU 2 2HG GLU 2 -11.745 11.025 -8.644 16 H GLN 3 H GLN 3 -9.600 11.236 -7.306 17 HA GLN 3 HA GLN 3 -8.718 8.649 -7.404 18 1HB GLN 3 1HB GLN 3 -7.580 10.625 -8.415 19 2HB GLN 3 2HB GLN 3 -6.953 11.034 -6.819 20 1HG GLN 3 1HG GLN 3 -5.337 9.445 -6.937 21 2HG GLN 3 2HG GLN 3 -6.471 8.224 -7.507 22 1HE2 GLN 3 1HE2 GLN 3 -6.083 7.528 -9.605 23 2HE2 GLN 3 2HE2 GLN 3 -5.282 8.431 -10.799 24 H PHE 4 H PHE 4 -7.259 10.831 -5.007 25 HA PHE 4 HA PHE 4 -6.145 9.006 -3.315 26 1HB PHE 4 1HB PHE 4 -7.419 11.677 -2.832 27 2HB PHE 4 2HB PHE 4 -6.882 10.720 -1.452 28 HD1 PHE 4 HD1 PHE 4 -5.777 12.323 -4.617 29 HD2 PHE 4 HD2 PHE 4 -4.556 10.431 -0.960 30 HE1 PHE 4 HE1 PHE 4 -3.438 13.031 -5.032 31 HE2 PHE 4 HE2 PHE 4 -2.217 11.139 -1.375 32 HZ PHE 4 HZ PHE 4 -1.657 12.440 -3.411 33 H ASN 5 H ASN 5 -9.467 10.236 -3.100 34 HA ASN 5 HA ASN 5 -10.301 8.635 -0.951 35 1HB ASN 5 1HB ASN 5 -11.505 10.623 -2.029 36 2HB ASN 5 2HB ASN 5 -12.103 9.469 -3.219 37 1HD2 ASN 5 1HD2 ASN 5 -12.393 7.215 -1.380 38 2HD2 ASN 5 2HD2 ASN 5 -13.680 7.587 -0.337 39 H ALA 6 H ALA 6 -9.967 7.920 -4.364 40 HA ALA 6 HA ALA 6 -11.479 5.456 -4.209 41 1HB ALA 6 1HB ALA 6 -11.144 5.277 -6.502 42 2HB ALA 6 2HB ALA 6 -9.592 6.114 -6.446 43 3HB ALA 6 3HB ALA 6 -11.092 7.023 -6.266 44 H PHE 7 H PHE 7 -8.050 6.157 -4.959 45 HA PHE 7 HA PHE 7 -7.163 3.502 -4.744 46 1HB PHE 7 1HB PHE 7 -5.450 4.653 -5.679 47 2HB PHE 7 2HB PHE 7 -5.939 6.167 -4.924 48 HD1 PHE 7 HD1 PHE 7 -4.662 7.044 -3.163 49 HD2 PHE 7 HD2 PHE 7 -4.368 2.863 -4.101 50 HE1 PHE 7 HE1 PHE 7 -2.834 6.801 -1.505 51 HE2 PHE 7 HE2 PHE 7 -2.540 2.619 -2.443 52 HZ PHE 7 HZ PHE 7 -1.774 4.588 -1.145 53 H LYS 8 H LYS 8 -7.148 6.126 -2.339 54 HA LYS 8 HA LYS 8 -5.998 4.680 -0.216 55 1HB LYS 8 1HB LYS 8 -6.404 7.187 -0.363 56 2HB LYS 8 2HB LYS 8 -8.071 6.844 0.104 57 1HG LYS 8 1HG LYS 8 -7.409 5.943 2.204 58 2HG LYS 8 2HG LYS 8 -5.720 5.823 1.708 59 1HD LYS 8 1HD LYS 8 -6.042 7.753 3.199 60 2HD LYS 8 2HD LYS 8 -5.588 8.290 1.581 61 1HE LYS 8 1HE LYS 8 -7.806 8.953 1.057 62 2HE LYS 8 2HE LYS 8 -8.481 8.058 2.418 63 1HZ LYS 8 1HZ LYS 8 -7.766 9.619 3.919 64 2HZ LYS 8 2HZ LYS 8 -8.145 10.606 2.589 65 3HZ LYS 8 3HZ LYS 8 -6.528 10.198 2.915 66 H SER 9 H SER 9 -9.466 5.275 -0.949 67 HA SER 9 HA SER 9 -10.489 3.882 1.205 68 1HB SER 9 1HB SER 9 -11.596 4.202 -1.594 69 2HB SER 9 2HB SER 9 -12.502 3.429 -0.297 70 HG SER 9 HG SER 9 -12.879 5.325 0.520 71 H LEU 10 H LEU 10 -8.984 2.712 -1.696 72 HA LEU 10 HA LEU 10 -9.911 0.057 -1.700 73 1HB LEU 10 1HB LEU 10 -8.308 1.395 -3.356 74 2HB LEU 10 2HB LEU 10 -7.050 0.637 -2.383 75 HG LEU 10 HG LEU 10 -9.230 -0.731 -3.983 76 1HD1 LEU 10 1HD1 LEU 10 -7.140 -1.924 -4.879 77 2HD1 LEU 10 2HD1 LEU 10 -6.205 -0.671 -4.064 78 3HD1 LEU 10 3HD1 LEU 10 -7.337 -0.234 -5.342 79 1HD2 LEU 10 1HD2 LEU 10 -7.375 -1.846 -1.861 80 2HD2 LEU 10 2HD2 LEU 10 -8.147 -2.857 -3.080 81 3HD2 LEU 10 3HD2 LEU 10 -9.132 -1.969 -1.927 82 H LEU 11 H LEU 11 -7.053 1.538 -0.157 83 HA LEU 11 HA LEU 11 -6.030 -0.713 1.112 84 1HB LEU 11 1HB LEU 11 -6.042 2.212 1.834 85 2HB LEU 11 2HB LEU 11 -5.341 1.031 2.939 86 HG LEU 11 HG LEU 11 -4.546 0.937 0.044 87 1HD1 LEU 11 1HD1 LEU 11 -4.234 3.272 0.486 88 2HD1 LEU 11 2HD1 LEU 11 -2.650 2.519 0.668 89 3HD1 LEU 11 3HD1 LEU 11 -3.592 2.948 2.096 90 1HD2 LEU 11 1HD2 LEU 11 -3.099 0.432 2.668 91 2HD2 LEU 11 2HD2 LEU 11 -2.416 0.175 1.063 92 3HD2 LEU 11 3HD2 LEU 11 -3.774 -0.807 1.610 93 H LYS 12 H LYS 12 -8.580 1.514 2.222 94 HA LYS 12 HA LYS 12 -9.161 0.608 4.739 95 1HB LYS 12 1HB LYS 12 -10.532 2.084 2.861 96 2HB LYS 12 2HB LYS 12 -11.556 0.658 3.011 97 1HG LYS 12 1HG LYS 12 -11.680 0.961 5.437 98 2HG LYS 12 2HG LYS 12 -10.573 2.332 5.343 99 1HD LYS 12 1HD LYS 12 -12.250 3.429 3.775 100 2HD LYS 12 2HD LYS 12 -13.375 2.144 4.213 101 1HE LYS 12 1HE LYS 12 -12.005 3.828 6.314 102 2HE LYS 12 2HE LYS 12 -13.520 4.331 5.566 103 1HZ LYS 12 1HZ LYS 12 -13.835 3.067 7.635 104 2HZ LYS 12 2HZ LYS 12 -13.095 1.720 6.912 105 3HZ LYS 12 3HZ LYS 12 -14.561 2.320 6.298 106 H LYS 13 H LYS 13 -10.391 -0.924 1.765 107 HA LYS 13 HA LYS 13 -11.592 -3.185 2.866 108 1HB LYS 13 1HB LYS 13 -10.985 -2.264 0.306 109 2HB LYS 13 2HB LYS 13 -10.105 -3.786 0.424 110 1HG LYS 13 1HG LYS 13 -12.245 -4.420 -0.358 111 2HG LYS 13 2HG LYS 13 -12.303 -4.766 1.370 112 1HD LYS 13 1HD LYS 13 -13.149 -2.199 1.421 113 2HD LYS 13 2HD LYS 13 -13.712 -2.649 -0.189 114 1HE LYS 13 1HE LYS 13 -15.528 -3.248 1.164 115 2HE LYS 13 2HE LYS 13 -14.658 -4.774 1.009 116 1HZ LYS 13 1HZ LYS 13 -13.896 -4.667 3.139 117 2HZ LYS 13 2HZ LYS 13 -15.382 -3.866 3.336 118 3HZ LYS 13 3HZ LYS 13 -13.942 -2.973 3.206 119 H HIS 14 H HIS 14 -8.215 -2.582 2.052 120 HA HIS 14 HA HIS 14 -7.244 -5.202 2.656 121 1HB HIS 14 1HB HIS 14 -6.153 -3.412 1.200 122 2HB HIS 14 2HB HIS 14 -5.630 -2.661 2.706 123 HD1 HIS 14 HD1 HIS 14 -5.761 -6.220 3.212 124 HD2 HIS 14 HD2 HIS 14 -2.994 -3.605 1.516 125 HE1 HIS 14 HE1 HIS 14 -3.554 -7.461 3.140 126 HE2 HIS 14 HE2 HIS 14 -1.855 -5.879 2.109 127 H TYR 15 H TYR 15 -6.649 -2.119 4.369 128 HA TYR 15 HA TYR 15 -5.785 -3.502 6.739 129 1HB TYR 15 1HB TYR 15 -6.031 -0.650 5.858 130 2HB TYR 15 2HB TYR 15 -5.870 -0.995 7.578 131 HD1 TYR 15 HD1 TYR 15 -4.379 -2.895 4.722 132 HD2 TYR 15 HD2 TYR 15 -3.663 -0.270 8.047 133 HE1 TYR 15 HE1 TYR 15 -1.938 -3.203 4.440 134 HE2 TYR 15 HE2 TYR 15 -1.221 -0.581 7.763 135 HH TYR 15 HH TYR 15 0.165 -2.963 6.240 136 H GLU 16 H GLU 16 -8.654 -3.764 5.770 137 HA GLU 16 HA GLU 16 -10.432 -2.372 7.400 138 1HB GLU 16 1HB GLU 16 -10.932 -4.012 5.488 139 2HB GLU 16 2HB GLU 16 -10.774 -5.286 6.697 140 1HG GLU 16 1HG GLU 16 -12.632 -2.913 7.006 141 2HG GLU 16 2HG GLU 16 -13.138 -4.466 6.345 142 H LYS 17 H LYS 17 -8.434 -5.190 8.095 143 HA LYS 17 HA LYS 17 -9.606 -5.526 10.746 144 1HB LYS 17 1HB LYS 17 -7.170 -6.959 9.708 145 2HB LYS 17 2HB LYS 17 -8.348 -7.507 10.901 146 1HG LYS 17 1HG LYS 17 -10.078 -7.600 9.129 147 2HG LYS 17 2HG LYS 17 -8.873 -7.099 7.941 148 1HD LYS 17 1HD LYS 17 -7.498 -9.124 8.720 149 2HD LYS 17 2HD LYS 17 -8.968 -9.669 9.527 150 1HE LYS 17 1HE LYS 17 -10.179 -9.680 7.414 151 2HE LYS 17 2HE LYS 17 -8.786 -8.998 6.576 152 1HZ LYS 17 1HZ LYS 17 -7.653 -10.950 6.662 153 2HZ LYS 17 2HZ LYS 17 -9.235 -11.571 6.621 154 3HZ LYS 17 3HZ LYS 17 -8.397 -11.466 8.096 155 H THR 18 H THR 18 -6.758 -4.169 9.238 156 HA THR 18 HA THR 18 -5.293 -3.868 11.703 157 HB THR 18 HB THR 18 -4.547 -2.169 9.396 158 HG1 THR 18 HG1 THR 18 -4.121 -3.815 8.054 159 1HG2 THR 18 1HG2 THR 18 -2.378 -2.811 9.993 160 2HG2 THR 18 2HG2 THR 18 -2.913 -4.353 10.660 161 3HG2 THR 18 3HG2 THR 18 -3.212 -2.859 11.546 162 H ILE 19 H ILE 19 -7.814 -2.814 12.065 163 HA ILE 19 HA ILE 19 -8.192 -0.113 11.530 164 HB ILE 19 HB ILE 19 -9.989 -1.387 12.460 165 1HG1 ILE 19 1HG1 ILE 19 -9.193 0.454 14.719 166 2HG1 ILE 19 2HG1 ILE 19 -9.644 1.090 13.137 167 1HG2 ILE 19 1HG2 ILE 19 -9.100 -1.663 15.214 168 2HG2 ILE 19 2HG2 ILE 19 -7.994 -2.497 14.123 169 3HG2 ILE 19 3HG2 ILE 19 -9.710 -2.899 14.114 170 1HD1 ILE 19 1HD1 ILE 19 -11.382 -0.840 14.691 171 2HD1 ILE 19 2HD1 ILE 19 -11.827 0.103 13.268 172 3HD1 ILE 19 3HD1 ILE 19 -11.548 0.912 14.811 173 H GLY 20 H GLY 20 -7.518 -0.979 14.901 174 1HA GLY 20 1HA GLY 20 -6.597 1.184 16.018 175 2HA GLY 20 2HA GLY 20 -5.674 -0.299 16.228 176 H PHE 21 H PHE 21 -4.229 -0.760 14.199 177 HA PHE 21 HA PHE 21 -2.095 0.942 14.124 178 1HB PHE 21 1HB PHE 21 -2.262 -1.331 13.034 179 2HB PHE 21 2HB PHE 21 -3.078 -0.547 11.681 180 HD1 PHE 21 HD1 PHE 21 -1.767 0.182 9.894 181 HD2 PHE 21 HD2 PHE 21 -0.011 -0.106 13.803 182 HE1 PHE 21 HE1 PHE 21 0.436 0.832 8.953 183 HE2 PHE 21 HE2 PHE 21 2.189 0.548 12.862 184 HZ PHE 21 HZ PHE 21 2.409 1.012 10.438 185 H HIS 22 H HIS 22 -4.904 1.019 11.955 186 HA HIS 22 HA HIS 22 -4.053 3.305 10.482 187 1HB HIS 22 1HB HIS 22 -5.837 1.555 9.819 188 2HB HIS 22 2HB HIS 22 -6.926 2.467 10.861 189 HD1 HIS 22 HD1 HIS 22 -6.886 5.200 10.292 190 HD2 HIS 22 HD2 HIS 22 -5.783 2.574 7.249 191 HE1 HIS 22 HE1 HIS 22 -7.098 6.489 8.123 192 HE2 HIS 22 HE2 HIS 22 -6.430 4.901 6.258 193 H ASP 23 H ASP 23 -5.604 2.933 13.561 194 HA ASP 23 HA ASP 23 -6.409 5.753 13.603 195 1HB ASP 23 1HB ASP 23 -7.777 3.845 14.654 196 2HB ASP 23 2HB ASP 23 -6.542 3.809 15.911 197 H LYS 24 H LYS 24 -3.665 4.041 13.959 198 HA LYS 24 HA LYS 24 -2.519 5.593 16.173 199 1HB LYS 24 1HB LYS 24 -2.140 2.975 15.141 200 2HB LYS 24 2HB LYS 24 -0.632 3.847 14.894 201 1HG LYS 24 1HG LYS 24 -2.134 3.731 17.531 202 2HG LYS 24 2HG LYS 24 -0.762 2.703 17.121 203 1HD LYS 24 1HD LYS 24 0.411 5.019 16.588 204 2HD LYS 24 2HD LYS 24 -0.821 5.653 17.677 205 1HE LYS 24 1HE LYS 24 1.136 3.428 18.326 206 2HE LYS 24 2HE LYS 24 1.222 5.085 18.923 207 1HZ LYS 24 1HZ LYS 24 0.122 4.074 20.628 208 2HZ LYS 24 2HZ LYS 24 -0.658 2.948 19.623 209 3HZ LYS 24 3HZ LYS 24 -1.203 4.557 19.686 210 H TYR 25 H TYR 25 -1.173 4.678 12.971 211 HA TYR 25 HA TYR 25 -0.013 7.402 12.885 212 1HB TYR 25 1HB TYR 25 0.984 5.063 11.276 213 2HB TYR 25 2HB TYR 25 1.838 6.540 11.725 214 HD1 TYR 25 HD1 TYR 25 1.068 3.147 12.662 215 HD2 TYR 25 HD2 TYR 25 2.328 6.953 14.204 216 HE1 TYR 25 HE1 TYR 25 1.923 2.034 14.707 217 HE2 TYR 25 HE2 TYR 25 3.183 5.840 16.250 218 HH TYR 25 HH TYR 25 3.913 3.665 16.990 219 H ILE 26 H ILE 26 -0.715 4.938 10.397 220 HA ILE 26 HA ILE 26 -0.977 6.508 8.210 221 HB ILE 26 HB ILE 26 -2.511 4.058 9.036 222 1HG1 ILE 26 1HG1 ILE 26 -1.162 3.067 7.209 223 2HG1 ILE 26 2HG1 ILE 26 -0.448 4.648 6.888 224 1HG2 ILE 26 1HG2 ILE 26 -2.850 5.717 6.531 225 2HG2 ILE 26 2HG2 ILE 26 -4.105 5.127 7.620 226 3HG2 ILE 26 3HG2 ILE 26 -3.242 3.998 6.577 227 1HD1 ILE 26 1HD1 ILE 26 0.675 4.687 8.978 228 2HD1 ILE 26 2HD1 ILE 26 0.902 3.044 8.381 229 3HD1 ILE 26 3HD1 ILE 26 -0.307 3.372 9.622 230 H LYS 27 H LYS 27 -2.966 6.690 10.966 231 HA LYS 27 HA LYS 27 -5.378 7.375 10.821 232 1HB LYS 27 1HB LYS 27 -3.685 8.510 12.359 233 2HB LYS 27 2HB LYS 27 -3.613 9.792 11.151 234 1HG LYS 27 1HG LYS 27 -6.013 10.176 11.352 235 2HG LYS 27 2HG LYS 27 -6.163 8.821 12.471 236 1HD LYS 27 1HD LYS 27 -4.454 10.057 13.940 237 2HD LYS 27 2HD LYS 27 -4.769 11.462 12.921 238 1HE LYS 27 1HE LYS 27 -7.143 11.383 13.478 239 2HE LYS 27 2HE LYS 27 -6.903 9.906 14.411 240 1HZ LYS 27 1HZ LYS 27 -5.090 11.538 15.510 241 2HZ LYS 27 2HZ LYS 27 -6.666 11.326 16.109 242 3HZ LYS 27 3HZ LYS 27 -6.306 12.649 15.107 243 H ASP 28 H ASP 28 -3.304 9.752 9.113 244 HA ASP 28 HA ASP 28 -5.141 9.755 6.857 245 1HB ASP 28 1HB ASP 28 -6.108 11.317 8.625 246 2HB ASP 28 2HB ASP 28 -4.708 12.347 8.337 247 H ILE 29 H ILE 29 -2.225 10.912 8.422 248 HA ILE 29 HA ILE 29 -0.241 11.722 7.586 249 HB ILE 29 HB ILE 29 -1.199 10.009 5.298 250 1HG1 ILE 29 1HG1 ILE 29 -0.801 8.799 7.388 251 2HG1 ILE 29 2HG1 ILE 29 0.441 8.395 6.206 252 1HG2 ILE 29 1HG2 ILE 29 1.312 10.010 4.720 253 2HG2 ILE 29 2HG2 ILE 29 1.412 11.454 5.727 254 3HG2 ILE 29 3HG2 ILE 29 0.389 11.450 4.292 255 1HD1 ILE 29 1HD1 ILE 29 0.665 9.955 8.736 256 2HD1 ILE 29 2HD1 ILE 29 1.683 10.462 7.387 257 3HD1 ILE 29 3HD1 ILE 29 1.800 8.818 8.011 258 H ASN 30 H ASN 30 0.747 13.077 5.806 259 HA ASN 30 HA ASN 30 -1.209 14.538 4.185 260 1HB ASN 30 1HB ASN 30 0.417 15.739 6.417 261 2HB ASN 30 2HB ASN 30 -0.140 16.715 5.059 262 1HD2 ASN 30 1HD2 ASN 30 -1.066 17.078 7.797 263 2HD2 ASN 30 2HD2 ASN 30 -2.725 16.721 7.818 264 H ARG 31 H ARG 31 1.479 12.856 4.121 265 HA ARG 31 HA ARG 31 2.649 14.521 1.990 266 1HB ARG 31 1HB ARG 31 3.898 14.512 4.338 267 2HB ARG 31 2HB ARG 31 4.517 12.979 3.737 268 1HG ARG 31 1HG ARG 31 6.108 14.483 2.912 269 2HG ARG 31 2HG ARG 31 5.012 14.328 1.542 270 1HD ARG 31 1HD ARG 31 4.527 16.476 3.593 271 2HD ARG 31 2HD ARG 31 5.749 16.717 2.351 272 HE ARG 31 HE ARG 31 3.416 15.859 1.066 273 1HH1 ARG 31 1HH1 ARG 31 4.573 18.500 2.980 274 2HH1 ARG 31 2HH1 ARG 31 3.526 19.670 2.247 275 1HH2 ARG 31 1HH2 ARG 31 2.042 17.387 0.101 276 2HH2 ARG 31 2HH2 ARG 31 2.093 19.039 0.617 277 H PHE 32 H PHE 32 1.871 13.282 0.388 278 HA PHE 32 HA PHE 32 3.176 10.687 -0.035 279 1HB PHE 32 1HB PHE 32 0.664 10.141 -0.996 280 2HB PHE 32 2HB PHE 32 1.267 9.599 0.568 281 HD1 PHE 32 HD1 PHE 32 -0.110 12.786 -0.884 282 HD2 PHE 32 HD2 PHE 32 -0.171 9.967 2.358 283 HE1 PHE 32 HE1 PHE 32 -1.851 14.133 0.255 284 HE2 PHE 32 HE2 PHE 32 -1.912 11.316 3.497 285 HZ PHE 32 HZ PHE 32 -2.753 13.400 2.446 286 H VAL 33 H VAL 33 3.378 10.164 -2.254 287 HA VAL 33 HA VAL 33 2.309 12.068 -4.209 288 HB VAL 33 HB VAL 33 4.645 12.336 -5.181 289 1HG1 VAL 33 1HG1 VAL 33 5.157 14.204 -3.724 290 2HG1 VAL 33 2HG1 VAL 33 4.214 13.498 -2.413 291 3HG1 VAL 33 3HG1 VAL 33 3.403 14.086 -3.865 292 1HG2 VAL 33 1HG2 VAL 33 5.672 10.483 -3.881 293 2HG2 VAL 33 2HG2 VAL 33 5.396 11.389 -2.394 294 3HG2 VAL 33 3HG2 VAL 33 6.511 12.010 -3.612 295 H PHE 34 H PHE 34 1.854 11.174 -6.093 296 HA PHE 34 HA PHE 34 3.097 8.606 -6.845 297 1HB PHE 34 1HB PHE 34 0.998 7.618 -7.384 298 2HB PHE 34 2HB PHE 34 0.790 8.307 -5.775 299 HD1 PHE 34 HD1 PHE 34 0.027 10.867 -5.783 300 HD2 PHE 34 HD2 PHE 34 -0.637 8.069 -8.974 301 HE1 PHE 34 HE1 PHE 34 -1.849 12.263 -6.616 302 HE2 PHE 34 HE2 PHE 34 -2.514 9.465 -9.807 303 HZ PHE 34 HZ PHE 34 -3.118 11.562 -8.627 304 H LYS 35 H LYS 35 3.986 10.948 -7.866 305 HA LYS 35 HA LYS 35 2.830 10.988 -10.593 306 1HB LYS 35 1HB LYS 35 3.434 13.394 -10.701 307 2HB LYS 35 2HB LYS 35 2.217 13.059 -9.470 308 1HG LYS 35 1HG LYS 35 4.188 12.856 -7.823 309 2HG LYS 35 2HG LYS 35 5.160 13.618 -9.081 310 1HD LYS 35 1HD LYS 35 2.570 14.831 -8.097 311 2HD LYS 35 2HD LYS 35 4.121 15.188 -7.341 312 1HE LYS 35 1HE LYS 35 3.401 15.653 -10.250 313 2HE LYS 35 2HE LYS 35 3.623 16.893 -9.018 314 1HZ LYS 35 1HZ LYS 35 5.734 16.914 -9.671 315 2HZ LYS 35 2HZ LYS 35 5.584 15.462 -10.541 316 3HZ LYS 35 3HZ LYS 35 5.904 15.428 -8.873 317 H ASN 36 H ASN 36 4.889 9.281 -9.851 318 HA ASN 36 HA ASN 36 6.979 10.174 -11.650 319 1HB ASN 36 1HB ASN 36 7.484 9.765 -8.703 320 2HB ASN 36 2HB ASN 36 8.764 9.611 -9.904 321 1HD2 ASN 36 1HD2 ASN 36 8.203 11.743 -7.736 322 2HD2 ASN 36 2HD2 ASN 36 8.275 13.208 -8.589 323 H ASN 37 H ASN 37 5.065 8.109 -11.776 324 HA ASN 37 HA ASN 37 4.869 5.866 -12.221 325 1HB ASN 37 1HB ASN 37 7.792 6.395 -12.693 326 2HB ASN 37 2HB ASN 37 7.154 4.757 -12.823 327 1HD2 ASN 37 1HD2 ASN 37 6.644 8.080 -14.099 328 2HD2 ASN 37 2HD2 ASN 37 6.003 7.568 -15.585 329 H VAL 38 H VAL 38 5.957 7.004 -9.449 330 HA VAL 38 HA VAL 38 6.041 4.354 -8.200 331 HB VAL 38 HB VAL 38 8.139 6.466 -7.645 332 1HG1 VAL 38 1HG1 VAL 38 7.618 3.678 -6.584 333 2HG1 VAL 38 2HG1 VAL 38 7.685 5.182 -5.665 334 3HG1 VAL 38 3HG1 VAL 38 9.156 4.515 -6.372 335 1HG2 VAL 38 1HG2 VAL 38 8.190 3.892 -9.238 336 2HG2 VAL 38 2HG2 VAL 38 9.657 4.639 -8.605 337 3HG2 VAL 38 3HG2 VAL 38 8.660 5.505 -9.773 338 H LEU 39 H LEU 39 5.580 4.411 -5.921 339 HA LEU 39 HA LEU 39 4.235 6.909 -5.062 340 1HB LEU 39 1HB LEU 39 3.410 4.028 -4.813 341 2HB LEU 39 2HB LEU 39 2.841 5.214 -3.643 342 HG LEU 39 HG LEU 39 2.228 6.599 -5.804 343 1HD1 LEU 39 1HD1 LEU 39 2.245 3.742 -6.813 344 2HD1 LEU 39 2HD1 LEU 39 3.259 5.056 -7.406 345 3HD1 LEU 39 3HD1 LEU 39 1.515 5.109 -7.654 346 1HD2 LEU 39 1HD2 LEU 39 -0.011 5.505 -5.802 347 2HD2 LEU 39 2HD2 LEU 39 0.590 5.803 -4.172 348 3HD2 LEU 39 3HD2 LEU 39 0.666 4.180 -4.856 349 H LEU 40 H LEU 40 5.314 7.854 -3.479 350 HA LEU 40 HA LEU 40 6.608 6.146 -1.439 351 1HB LEU 40 1HB LEU 40 8.096 7.575 -3.015 352 2HB LEU 40 2HB LEU 40 7.500 8.954 -2.099 353 HG LEU 40 HG LEU 40 8.591 6.591 -0.591 354 1HD1 LEU 40 1HD1 LEU 40 10.211 8.630 -2.123 355 2HD1 LEU 40 2HD1 LEU 40 10.351 6.872 -2.167 356 3HD1 LEU 40 3HD1 LEU 40 10.862 7.761 -0.732 357 1HD2 LEU 40 1HD2 LEU 40 8.067 9.483 -0.129 358 2HD2 LEU 40 2HD2 LEU 40 9.547 8.860 0.591 359 3HD2 LEU 40 3HD2 LEU 40 7.997 8.129 0.998 360 H ILE 41 H ILE 41 6.407 6.789 0.721 361 HA ILE 41 HA ILE 41 4.658 9.091 1.303 362 HB ILE 41 HB ILE 41 4.115 6.317 2.375 363 1HG1 ILE 41 1HG1 ILE 41 2.784 7.898 0.158 364 2HG1 ILE 41 2HG1 ILE 41 3.588 6.336 0.011 365 1HG2 ILE 41 1HG2 ILE 41 2.395 8.805 2.456 366 2HG2 ILE 41 2HG2 ILE 41 3.482 8.348 3.766 367 3HG2 ILE 41 3HG2 ILE 41 2.140 7.293 3.328 368 1HD1 ILE 41 1HD1 ILE 41 1.009 6.953 1.470 369 2HD1 ILE 41 2HD1 ILE 41 1.883 5.436 1.673 370 3HD1 ILE 41 3HD1 ILE 41 1.237 5.877 0.093 371 H LEU 42 H LEU 42 5.136 10.097 3.203 372 HA LEU 42 HA LEU 42 7.582 9.543 4.507 373 1HB LEU 42 1HB LEU 42 5.240 11.325 5.144 374 2HB LEU 42 2HB LEU 42 6.570 11.155 6.284 375 HG LEU 42 HG LEU 42 6.701 13.092 4.595 376 1HD1 LEU 42 1HD1 LEU 42 9.223 12.350 4.083 377 2HD1 LEU 42 2HD1 LEU 42 8.834 11.121 5.284 378 3HD1 LEU 42 3HD1 LEU 42 8.699 12.828 5.695 379 1HD2 LEU 42 1HD2 LEU 42 6.027 11.560 2.660 380 2HD2 LEU 42 2HD2 LEU 42 7.662 10.904 2.735 381 3HD2 LEU 42 3HD2 LEU 42 7.412 12.609 2.367 382 H LEU 43 H LEU 43 8.089 8.395 6.279 383 HA LEU 43 HA LEU 43 6.084 7.486 8.155 384 1HB LEU 43 1HB LEU 43 5.942 5.892 6.197 385 2HB LEU 43 2HB LEU 43 7.596 5.410 6.567 386 HG LEU 43 HG LEU 43 6.626 5.071 9.007 387 1HD1 LEU 43 1HD1 LEU 43 4.370 6.037 8.159 388 2HD1 LEU 43 2HD1 LEU 43 4.318 4.575 9.139 389 3HD1 LEU 43 3HD1 LEU 43 4.150 4.468 7.388 390 1HD2 LEU 43 1HD2 LEU 43 7.526 3.323 7.392 391 2HD2 LEU 43 2HD2 LEU 43 5.870 3.107 6.824 392 3HD2 LEU 43 3HD2 LEU 43 6.283 2.746 8.498 393 H GLU 44 H GLU 44 7.277 8.361 9.810 394 HA GLU 44 HA GLU 44 10.114 7.705 10.071 395 1HB GLU 44 1HB GLU 44 10.068 9.255 11.972 396 2HB GLU 44 2HB GLU 44 9.364 10.000 10.536 397 1HG GLU 44 1HG GLU 44 7.095 9.218 11.408 398 2HG GLU 44 2HG GLU 44 7.912 8.851 12.926 399 H ASN 45 H ASN 45 7.059 7.111 11.783 400 HA ASN 45 HA ASN 45 7.859 5.940 14.107 401 1HB ASN 45 1HB ASN 45 5.636 5.202 12.217 402 2HB ASN 45 2HB ASN 45 5.864 4.341 13.740 403 1HD2 ASN 45 1HD2 ASN 45 6.217 6.020 15.695 404 2HD2 ASN 45 2HD2 ASN 45 5.123 7.316 15.713 405 H GLU 46 H GLU 46 9.886 4.956 13.847 406 HA GLU 46 HA GLU 46 10.920 3.142 12.199 407 1HB GLU 46 1HB GLU 46 12.073 3.785 14.226 408 2HB GLU 46 2HB GLU 46 10.900 2.914 15.216 409 1HG GLU 46 1HG GLU 46 11.621 0.798 14.384 410 2HG GLU 46 2HG GLU 46 12.547 1.545 13.083 411 H PHE 47 H PHE 47 8.472 2.269 14.654 412 HA PHE 47 HA PHE 47 8.458 -0.496 14.127 413 1HB PHE 47 1HB PHE 47 6.005 1.070 14.923 414 2HB PHE 47 2HB PHE 47 6.447 -0.578 15.369 415 HD1 PHE 47 HD1 PHE 47 6.881 2.967 16.109 416 HD2 PHE 47 HD2 PHE 47 8.325 -0.988 16.961 417 HE1 PHE 47 HE1 PHE 47 8.036 3.824 18.131 418 HE2 PHE 47 HE2 PHE 47 9.478 -0.131 18.982 419 HZ PHE 47 HZ PHE 47 9.335 2.275 19.567 420 H ALA 48 H ALA 48 5.914 1.795 13.200 421 HA ALA 48 HA ALA 48 4.485 0.396 11.410 422 1HB ALA 48 1HB ALA 48 5.425 3.247 11.051 423 2HB ALA 48 2HB ALA 48 3.990 2.721 11.929 424 3HB ALA 48 3HB ALA 48 4.081 2.513 10.180 425 H ARG 49 H ARG 49 7.726 1.676 10.802 426 HA ARG 49 HA ARG 49 7.657 0.951 7.995 427 1HB ARG 49 1HB ARG 49 10.324 1.342 9.148 428 2HB ARG 49 2HB ARG 49 9.538 2.198 7.824 429 1HG ARG 49 1HG ARG 49 8.173 3.415 9.602 430 2HG ARG 49 2HG ARG 49 9.279 2.721 10.778 431 1HD ARG 49 1HD ARG 49 10.185 4.345 8.396 432 2HD ARG 49 2HD ARG 49 9.927 5.026 9.998 433 HE ARG 49 HE ARG 49 11.735 2.741 9.874 434 1HH1 ARG 49 1HH1 ARG 49 11.298 6.176 9.882 435 2HH1 ARG 49 2HH1 ARG 49 12.917 6.519 10.392 436 1HH2 ARG 49 1HH2 ARG 49 13.858 3.185 10.541 437 2HH2 ARG 49 2HH2 ARG 49 14.367 4.825 10.766 438 H ASN 50 H ASN 50 8.745 -0.441 11.002 439 HA ASN 50 HA ASN 50 10.477 -2.412 10.134 440 1HB ASN 50 1HB ASN 50 9.849 -1.788 12.511 441 2HB ASN 50 2HB ASN 50 8.435 -2.822 12.313 442 1HD2 ASN 50 1HD2 ASN 50 8.745 -5.032 12.703 443 2HD2 ASN 50 2HD2 ASN 50 10.263 -5.778 12.839 444 H SER 51 H SER 51 6.948 -2.492 10.449 445 HA SER 51 HA SER 51 6.745 -5.174 9.304 446 1HB SER 51 1HB SER 51 5.305 -3.798 11.191 447 2HB SER 51 2HB SER 51 4.265 -3.694 9.775 448 HG SER 51 HG SER 51 5.500 -6.129 10.448 449 H LEU 52 H LEU 52 5.589 -1.889 8.487 450 HA LEU 52 HA LEU 52 4.117 -2.469 6.242 451 1HB LEU 52 1HB LEU 52 5.818 -0.092 6.936 452 2HB LEU 52 2HB LEU 52 4.959 -0.168 5.400 453 HG LEU 52 HG LEU 52 3.635 -0.546 8.104 454 1HD1 LEU 52 1HD1 LEU 52 4.307 1.730 8.041 455 2HD1 LEU 52 2HD1 LEU 52 2.632 1.741 7.492 456 3HD1 LEU 52 3HD1 LEU 52 3.945 1.873 6.323 457 1HD2 LEU 52 1HD2 LEU 52 2.732 -0.675 5.264 458 2HD2 LEU 52 2HD2 LEU 52 1.661 0.164 6.385 459 3HD2 LEU 52 3HD2 LEU 52 2.106 -1.514 6.684 460 H ASN 53 H ASN 53 7.625 -1.723 6.268 461 HA ASN 53 HA ASN 53 7.862 -2.352 3.482 462 1HB ASN 53 1HB ASN 53 9.394 -0.744 4.525 463 2HB ASN 53 2HB ASN 53 10.005 -2.002 5.598 464 1HD2 ASN 53 1HD2 ASN 53 12.137 -2.258 4.815 465 2HD2 ASN 53 2HD2 ASN 53 12.507 -2.666 3.209 466 H ASP 54 H ASP 54 7.597 -4.278 6.227 467 HA ASP 54 HA ASP 54 9.313 -6.434 5.392 468 1HB ASP 54 1HB ASP 54 8.457 -6.019 7.763 469 2HB ASP 54 2HB ASP 54 6.914 -6.668 7.213 470 H ASN 55 H ASN 55 6.026 -5.428 4.828 471 HA ASN 55 HA ASN 55 5.764 -7.420 2.702 472 1HB ASN 55 1HB ASN 55 4.813 -8.390 4.864 473 2HB ASN 55 2HB ASN 55 3.577 -7.137 4.765 474 1HD2 ASN 55 1HD2 ASN 55 4.555 -10.232 3.531 475 2HD2 ASN 55 2HD2 ASN 55 3.310 -10.399 2.389 476 H SER 56 H SER 56 6.171 -5.018 1.941 477 HA SER 56 HA SER 56 3.747 -3.402 1.888 478 1HB SER 56 1HB SER 56 5.934 -2.306 2.135 479 2HB SER 56 2HB SER 56 6.442 -2.962 0.582 480 HG SER 56 HG SER 56 4.323 -1.148 1.111 481 H GLU 57 H GLU 57 3.282 -5.848 0.687 482 HA GLU 57 HA GLU 57 3.646 -5.707 -2.165 483 1HB GLU 57 1HB GLU 57 1.607 -7.419 -0.759 484 2HB GLU 57 2HB GLU 57 2.477 -7.746 -2.259 485 1HG GLU 57 1HG GLU 57 4.607 -7.833 -0.947 486 2HG GLU 57 2HG GLU 57 3.659 -7.661 0.530 487 H ILE 58 H ILE 58 2.511 -3.327 -1.225 488 HA ILE 58 HA ILE 58 -0.307 -3.244 -1.442 489 HB ILE 58 HB ILE 58 1.614 -1.006 -2.087 490 1HG1 ILE 58 1HG1 ILE 58 2.325 -1.942 0.023 491 2HG1 ILE 58 2HG1 ILE 58 1.415 -0.472 0.370 492 1HG2 ILE 58 1HG2 ILE 58 -0.167 0.440 -1.402 493 2HG2 ILE 58 2HG2 ILE 58 -1.111 -0.913 -0.782 494 3HG2 ILE 58 3HG2 ILE 58 -0.870 -0.728 -2.518 495 1HD1 ILE 58 1HD1 ILE 58 -0.642 -2.058 0.565 496 2HD1 ILE 58 2HD1 ILE 58 0.518 -2.028 1.893 497 3HD1 ILE 58 3HD1 ILE 58 0.559 -3.341 0.717 498 H ILE 59 H ILE 59 2.191 -3.436 -3.841 499 HA ILE 59 HA ILE 59 0.826 -2.273 -6.025 500 HB ILE 59 HB ILE 59 3.146 -2.696 -6.288 501 1HG1 ILE 59 1HG1 ILE 59 1.960 -4.948 -7.912 502 2HG1 ILE 59 2HG1 ILE 59 1.519 -3.273 -8.248 503 1HG2 ILE 59 1HG2 ILE 59 4.005 -5.089 -6.220 504 2HG2 ILE 59 2HG2 ILE 59 2.450 -5.539 -5.522 505 3HG2 ILE 59 3HG2 ILE 59 3.510 -4.419 -4.666 506 1HD1 ILE 59 1HD1 ILE 59 4.345 -4.374 -8.201 507 2HD1 ILE 59 2HD1 ILE 59 3.904 -2.698 -8.526 508 3HD1 ILE 59 3HD1 ILE 59 3.422 -3.970 -9.650 509 H HIS 60 H HIS 60 -0.125 -4.747 -4.142 510 HA HIS 60 HA HIS 60 -1.268 -6.585 -6.101 511 1HB HIS 60 1HB HIS 60 -1.228 -6.315 -3.124 512 2HB HIS 60 2HB HIS 60 -2.495 -7.280 -3.874 513 HD1 HIS 60 HD1 HIS 60 0.473 -7.963 -2.315 514 HD2 HIS 60 HD2 HIS 60 -0.850 -8.878 -6.160 515 HE1 HIS 60 HE1 HIS 60 1.866 -9.926 -3.105 516 HE2 HIS 60 HE2 HIS 60 1.071 -10.494 -5.447 517 H LEU 61 H LEU 61 -2.403 -3.833 -4.168 518 HA LEU 61 HA LEU 61 -5.034 -4.126 -5.503 519 1HB LEU 61 1HB LEU 61 -4.881 -2.341 -3.160 520 2HB LEU 61 2HB LEU 61 -6.079 -3.564 -3.575 521 HG LEU 61 HG LEU 61 -4.162 -5.261 -2.991 522 1HD1 LEU 61 1HD1 LEU 61 -2.362 -4.505 -1.789 523 2HD1 LEU 61 2HD1 LEU 61 -3.287 -3.224 -1.007 524 3HD1 LEU 61 3HD1 LEU 61 -2.693 -3.003 -2.650 525 1HD2 LEU 61 1HD2 LEU 61 -4.826 -4.953 -0.487 526 2HD2 LEU 61 2HD2 LEU 61 -6.100 -5.311 -1.653 527 3HD2 LEU 61 3HD2 LEU 61 -5.864 -3.659 -1.086 528 H ALA 62 H ALA 62 -2.584 -1.820 -4.423 529 HA ALA 62 HA ALA 62 -3.522 0.592 -5.211 530 1HB ALA 62 1HB ALA 62 -1.350 0.580 -4.343 531 2HB ALA 62 2HB ALA 62 -1.107 1.028 -6.029 532 3HB ALA 62 3HB ALA 62 -0.790 -0.624 -5.503 533 H GLU 63 H GLU 63 -2.507 -2.020 -7.354 534 HA GLU 63 HA GLU 63 -2.345 -0.530 -9.719 535 1HB GLU 63 1HB GLU 63 -2.691 -2.718 -10.881 536 2HB GLU 63 2HB GLU 63 -1.459 -2.782 -9.621 537 1HG GLU 63 1HG GLU 63 -2.611 -4.562 -8.810 538 2HG GLU 63 2HG GLU 63 -3.775 -3.379 -8.219 539 H SER 64 H SER 64 -5.007 -0.922 -7.809 540 HA SER 64 HA SER 64 -6.912 -0.851 -10.066 541 1HB SER 64 1HB SER 64 -7.812 -2.390 -8.605 542 2HB SER 64 2HB SER 64 -7.115 -1.615 -7.189 543 HG SER 64 HG SER 64 -9.454 -1.371 -7.510 544 H LEU 65 H LEU 65 -6.788 1.209 -10.777 545 HA LEU 65 HA LEU 65 -8.332 3.223 -10.031 546 1HB LEU 65 1HB LEU 65 -6.544 3.003 -7.871 547 2HB LEU 65 2HB LEU 65 -5.965 4.378 -8.775 548 HG LEU 65 HG LEU 65 -7.591 5.134 -7.138 549 1HD1 LEU 65 1HD1 LEU 65 -8.713 6.557 -8.547 550 2HD1 LEU 65 2HD1 LEU 65 -9.240 5.263 -9.620 551 3HD1 LEU 65 3HD1 LEU 65 -7.592 5.878 -9.722 552 1HD2 LEU 65 1HD2 LEU 65 -8.953 2.702 -7.894 553 2HD2 LEU 65 2HD2 LEU 65 -10.042 4.065 -8.120 554 3HD2 LEU 65 3HD2 LEU 65 -9.296 3.783 -6.547 555 H TYR 66 H TYR 66 -5.119 2.364 -11.017 556 HA TYR 66 HA TYR 66 -5.317 3.647 -13.503 557 1HB TYR 66 1HB TYR 66 -3.349 5.274 -13.158 558 2HB TYR 66 2HB TYR 66 -4.939 5.780 -12.604 559 HD1 TYR 66 HD1 TYR 66 -1.577 4.656 -11.550 560 HD2 TYR 66 HD2 TYR 66 -5.448 5.967 -10.246 561 HE1 TYR 66 HE1 TYR 66 -0.684 5.022 -9.268 562 HE2 TYR 66 HE2 TYR 66 -4.560 6.323 -7.956 563 HH TYR 66 HH TYR 66 -1.387 6.570 -7.246 564 H GLU 67 H GLU 67 -4.758 1.415 -13.830 565 HA GLU 67 HA GLU 67 -2.657 -0.066 -13.062 566 1HB GLU 67 1HB GLU 67 -2.467 -0.809 -15.529 567 2HB GLU 67 2HB GLU 67 -4.023 -1.012 -14.726 568 1HG GLU 67 1HG GLU 67 -3.394 1.507 -16.262 569 2HG GLU 67 2HG GLU 67 -4.003 0.072 -17.085 570 H GLY 68 H GLY 68 -0.502 0.033 -13.030 571 1HA GLY 68 1HA GLY 68 1.394 0.728 -14.712 572 2HA GLY 68 2HA GLY 68 0.812 2.335 -14.288 573 H ILE 69 H ILE 69 0.197 0.795 -11.562 574 HA ILE 69 HA ILE 69 2.167 1.955 -10.014 575 HB ILE 69 HB ILE 69 0.634 -0.598 -9.495 576 1HG1 ILE 69 1HG1 ILE 69 -0.596 1.641 -9.921 577 2HG1 ILE 69 2HG1 ILE 69 -1.001 0.754 -8.458 578 1HG2 ILE 69 1HG2 ILE 69 1.108 0.085 -7.064 579 2HG2 ILE 69 2HG2 ILE 69 2.365 1.129 -7.726 580 3HG2 ILE 69 3HG2 ILE 69 2.449 -0.615 -7.971 581 1HD1 ILE 69 1HD1 ILE 69 -0.704 3.139 -7.959 582 2HD1 ILE 69 2HD1 ILE 69 0.924 3.091 -8.627 583 3HD1 ILE 69 3HD1 ILE 69 0.545 2.191 -7.160 584 H LYS 70 H LYS 70 4.287 1.725 -10.237 585 HA LYS 70 HA LYS 70 5.478 -0.753 -11.160 586 1HB LYS 70 1HB LYS 70 6.712 1.846 -10.217 587 2HB LYS 70 2HB LYS 70 7.616 0.492 -10.892 588 1HG LYS 70 1HG LYS 70 5.295 1.578 -12.453 589 2HG LYS 70 2HG LYS 70 6.804 2.489 -12.447 590 1HD LYS 70 1HD LYS 70 8.023 0.696 -13.408 591 2HD LYS 70 2HD LYS 70 6.750 -0.470 -13.052 592 1HE LYS 70 1HE LYS 70 6.815 0.209 -15.464 593 2HE LYS 70 2HE LYS 70 5.273 0.564 -14.683 594 1HZ LYS 70 1HZ LYS 70 6.770 2.344 -16.059 595 2HZ LYS 70 2HZ LYS 70 7.203 2.684 -14.451 596 3HZ LYS 70 3HZ LYS 70 5.573 2.747 -14.925 597 H SER 71 H SER 71 5.179 1.063 -8.152 598 HA SER 71 HA SER 71 5.461 -1.223 -6.514 599 1HB SER 71 1HB SER 71 7.925 0.461 -6.917 600 2HB SER 71 2HB SER 71 7.658 -0.431 -5.423 601 HG SER 71 HG SER 71 8.000 -2.249 -6.450 602 H VAL 72 H VAL 72 5.980 -0.460 -4.150 603 HA VAL 72 HA VAL 72 5.053 2.260 -3.586 604 HB VAL 72 HB VAL 72 3.657 -0.065 -2.266 605 1HG1 VAL 72 1HG1 VAL 72 2.946 2.856 -2.677 606 2HG1 VAL 72 2HG1 VAL 72 3.525 2.134 -1.174 607 3HG1 VAL 72 3HG1 VAL 72 1.951 1.675 -1.824 608 1HG2 VAL 72 1HG2 VAL 72 1.762 0.400 -3.868 609 2HG2 VAL 72 2HG2 VAL 72 3.174 -0.338 -4.625 610 3HG2 VAL 72 3HG2 VAL 72 2.874 1.390 -4.810 611 H ASN 73 H ASN 73 5.689 3.005 -1.545 612 HA ASN 73 HA ASN 73 6.728 1.311 0.492 613 1HB ASN 73 1HB ASN 73 8.477 1.219 -1.442 614 2HB ASN 73 2HB ASN 73 8.918 2.830 -0.885 615 1HD2 ASN 73 1HD2 ASN 73 9.872 -0.292 -0.530 616 2HD2 ASN 73 2HD2 ASN 73 10.444 -0.249 1.067 617 H PHE 74 H PHE 74 7.731 2.435 2.236 618 HA PHE 74 HA PHE 74 7.240 5.347 2.313 619 1HB PHE 74 1HB PHE 74 6.810 4.003 4.880 620 2HB PHE 74 2HB PHE 74 5.804 5.189 4.054 621 HD1 PHE 74 HD1 PHE 74 3.663 4.470 3.489 622 HD2 PHE 74 HD2 PHE 74 6.875 1.618 3.530 623 HE1 PHE 74 HE1 PHE 74 2.078 2.678 2.850 624 HE2 PHE 74 HE2 PHE 74 5.287 -0.175 2.889 625 HZ PHE 74 HZ PHE 74 2.889 0.354 2.550 626 H VAL 75 H VAL 75 8.680 6.516 3.651 627 HA VAL 75 HA VAL 75 10.836 5.007 4.958 628 HB VAL 75 HB VAL 75 12.571 6.266 3.809 629 1HG1 VAL 75 1HG1 VAL 75 11.628 4.130 2.830 630 2HG1 VAL 75 2HG1 VAL 75 12.415 5.193 1.663 631 3HG1 VAL 75 3HG1 VAL 75 10.656 5.137 1.758 632 1HG2 VAL 75 1HG2 VAL 75 10.246 7.488 2.289 633 2HG2 VAL 75 2HG2 VAL 75 11.943 7.708 1.868 634 3HG2 VAL 75 3HG2 VAL 75 11.323 8.341 3.391 635 H ASN 76 H ASN 76 12.488 7.401 5.178 636 HA ASN 76 HA ASN 76 10.875 8.872 7.176 637 1HB ASN 76 1HB ASN 76 13.444 9.442 7.859 638 2HB ASN 76 2HB ASN 76 12.529 8.095 8.526 639 1HD2 ASN 76 1HD2 ASN 76 12.597 6.101 6.750 640 2HD2 ASN 76 2HD2 ASN 76 14.176 5.719 6.255 641 H GLU 77 H GLU 77 11.484 11.116 7.538 642 HA GLU 77 HA GLU 77 11.106 12.817 5.518 643 1HB GLU 77 1HB GLU 77 12.989 13.225 7.846 644 2HB GLU 77 2HB GLU 77 12.422 14.522 6.793 645 1HG GLU 77 1HG GLU 77 10.162 14.228 7.466 646 2HG GLU 77 2HG GLU 77 10.506 12.664 8.206 647 H GLN 78 H GLN 78 14.463 12.489 6.680 648 HA GLN 78 HA GLN 78 15.706 13.646 4.524 649 1HB GLN 78 1HB GLN 78 16.585 11.507 6.446 650 2HB GLN 78 2HB GLN 78 17.653 12.015 5.136 651 1HG GLN 78 1HG GLN 78 16.361 13.975 7.044 652 2HG GLN 78 2HG GLN 78 17.945 13.262 7.338 653 1HE2 GLN 78 1HE2 GLN 78 17.797 13.427 4.047 654 2HE2 GLN 78 2HE2 GLN 78 18.477 14.964 3.803 655 H ASP 79 H ASP 79 15.033 10.167 4.927 656 HA ASP 79 HA ASP 79 16.099 9.269 2.525 657 1HB ASP 79 1HB ASP 79 15.186 7.784 4.285 658 2HB ASP 79 2HB ASP 79 13.559 8.289 3.841 659 H PHE 80 H PHE 80 12.620 10.037 3.054 660 HA PHE 80 HA PHE 80 11.692 9.933 0.496 661 1HB PHE 80 1HB PHE 80 10.121 10.470 2.172 662 2HB PHE 80 2HB PHE 80 11.071 11.838 2.747 663 HD1 PHE 80 HD1 PHE 80 9.905 13.826 2.370 664 HD2 PHE 80 HD2 PHE 80 9.915 10.793 -0.675 665 HE1 PHE 80 HE1 PHE 80 8.644 15.335 0.861 666 HE2 PHE 80 HE2 PHE 80 8.654 12.304 -2.182 667 HZ PHE 80 HZ PHE 80 8.020 14.574 -1.415 668 H PHE 81 H PHE 81 13.482 12.587 2.008 669 HA PHE 81 HA PHE 81 13.383 14.439 -0.082 670 1HB PHE 81 1HB PHE 81 14.426 14.528 2.368 671 2HB PHE 81 2HB PHE 81 15.910 14.146 1.496 672 HD1 PHE 81 HD1 PHE 81 17.099 15.844 0.380 673 HD2 PHE 81 HD2 PHE 81 12.997 16.496 1.478 674 HE1 PHE 81 HE1 PHE 81 17.287 18.213 -0.327 675 HE2 PHE 81 HE2 PHE 81 13.186 18.865 0.770 676 HZ PHE 81 HZ PHE 81 15.330 19.724 -0.132 677 H PHE 82 H PHE 82 16.136 12.314 0.704 678 HA PHE 82 HA PHE 82 17.751 12.600 -1.421 679 1HB PHE 82 1HB PHE 82 18.081 10.988 0.461 680 2HB PHE 82 2HB PHE 82 16.962 9.888 -0.342 681 HD1 PHE 82 HD1 PHE 82 20.332 11.288 -0.345 682 HD2 PHE 82 HD2 PHE 82 17.507 8.953 -2.586 683 HE1 PHE 82 HE1 PHE 82 22.166 10.458 -1.793 684 HE2 PHE 82 HE2 PHE 82 19.342 8.122 -4.034 685 HZ PHE 82 HZ PHE 82 21.672 8.875 -3.637 686 H ASN 83 H ASN 83 14.613 11.006 -1.488 687 HA ASN 83 HA ASN 83 14.998 9.886 -4.119 688 1HB ASN 83 1HB ASN 83 13.485 8.794 -2.554 689 2HB ASN 83 2HB ASN 83 12.496 10.249 -2.457 690 1HD2 ASN 83 1HD2 ASN 83 11.057 10.716 -4.226 691 2HD2 ASN 83 2HD2 ASN 83 10.805 9.623 -5.501 692 H LEU 84 H LEU 84 12.972 12.525 -2.813 693 HA LEU 84 HA LEU 84 12.239 13.432 -5.445 694 1HB LEU 84 1HB LEU 84 10.866 14.981 -4.361 695 2HB LEU 84 2HB LEU 84 10.926 13.655 -3.204 696 HG LEU 84 HG LEU 84 13.042 14.971 -2.287 697 1HD1 LEU 84 1HD1 LEU 84 11.639 17.474 -2.763 698 2HD1 LEU 84 2HD1 LEU 84 12.158 16.756 -4.286 699 3HD1 LEU 84 3HD1 LEU 84 13.338 17.083 -3.020 700 1HD2 LEU 84 1HD2 LEU 84 10.143 15.708 -1.801 701 2HD2 LEU 84 2HD2 LEU 84 11.469 16.230 -0.763 702 3HD2 LEU 84 3HD2 LEU 84 11.100 14.513 -0.927 703 H ALA 85 H ALA 85 14.865 14.002 -3.294 704 HA ALA 85 HA ALA 85 15.537 16.615 -4.213 705 1HB ALA 85 1HB ALA 85 17.388 14.552 -2.994 706 2HB ALA 85 2HB ALA 85 16.345 15.623 -2.057 707 3HB ALA 85 3HB ALA 85 17.637 16.297 -3.049 708 H LYS 86 H LYS 86 15.949 13.440 -5.457 709 HA LYS 86 HA LYS 86 18.235 13.586 -7.003 710 1HB LYS 86 1HB LYS 86 16.667 11.610 -6.730 711 2HB LYS 86 2HB LYS 86 15.640 12.363 -7.949 712 1HG LYS 86 1HG LYS 86 18.019 12.492 -9.238 713 2HG LYS 86 2HG LYS 86 18.301 11.056 -8.255 714 1HD LYS 86 1HD LYS 86 15.896 11.466 -10.060 715 2HD LYS 86 2HD LYS 86 17.316 10.509 -10.480 716 1HE LYS 86 1HE LYS 86 15.589 9.981 -8.044 717 2HE LYS 86 2HE LYS 86 15.404 9.141 -9.583 718 1HZ LYS 86 1HZ LYS 86 17.096 7.825 -9.091 719 2HZ LYS 86 2HZ LYS 86 17.143 8.508 -7.536 720 3HZ LYS 86 3HZ LYS 86 18.116 9.143 -8.775 721 H LEU 87 H LEU 87 14.965 14.150 -8.322 722 HA LEU 87 HA LEU 87 15.571 15.213 -10.745 723 1HB LEU 87 1HB LEU 87 13.442 16.252 -8.860 724 2HB LEU 87 2HB LEU 87 13.474 16.494 -10.607 725 HG LEU 87 HG LEU 87 13.661 13.691 -9.550 726 1HD1 LEU 87 1HD1 LEU 87 11.787 14.450 -8.285 727 2HD1 LEU 87 2HD1 LEU 87 11.113 13.636 -9.696 728 3HD1 LEU 87 3HD1 LEU 87 11.168 15.398 -9.638 729 1HD2 LEU 87 1HD2 LEU 87 13.895 14.168 -11.968 730 2HD2 LEU 87 2HD2 LEU 87 12.319 14.958 -11.962 731 3HD2 LEU 87 3HD2 LEU 87 12.439 13.227 -11.645 732 H GLU 88 H GLU 88 16.799 16.827 -11.432 733 HA GLU 88 HA GLU 88 16.771 19.410 -10.148 734 1HB GLU 88 1HB GLU 88 18.510 17.790 -8.958 735 2HB GLU 88 2HB GLU 88 19.511 18.226 -10.342 736 1HG GLU 88 1HG GLU 88 18.249 20.108 -8.332 737 2HG GLU 88 2HG GLU 88 19.969 19.812 -8.580 738 H GLU 89 H GLU 89 15.934 18.795 -12.636 739 HA GLU 89 HA GLU 89 17.891 20.200 -14.308 740 1HB GLU 89 1HB GLU 89 17.373 18.536 -16.177 741 2HB GLU 89 2HB GLU 89 18.436 17.962 -14.891 742 1HG GLU 89 1HG GLU 89 16.554 16.855 -13.788 743 2HG GLU 89 2HG GLU 89 15.447 17.475 -15.011 744 H ASN 90 H ASN 90 14.974 20.235 -13.055 745 HA ASN 90 HA ASN 90 13.332 20.693 -15.390 746 1HB ASN 90 1HB ASN 90 12.864 21.120 -12.433 747 2HB ASN 90 2HB ASN 90 11.652 21.448 -13.672 748 1HD2 ASN 90 1HD2 ASN 90 13.571 18.856 -14.696 749 2HD2 ASN 90 2HD2 ASN 90 12.571 17.587 -14.175 750 H SER 91 H SER 91 15.197 22.296 -16.035 751 HA SER 91 HA SER 91 14.426 25.001 -15.099 752 1HB SER 91 1HB SER 91 17.113 23.925 -15.958 753 2HB SER 91 2HB SER 91 16.764 25.648 -15.855 754 HG SER 91 HG SER 91 16.420 23.769 -13.751 755 H ARG 92 H ARG 92 13.816 26.448 -16.605 756 HA ARG 92 HA ARG 92 13.151 25.579 -19.222 757 1HB ARG 92 1HB ARG 92 13.245 28.306 -17.927 758 2HB ARG 92 2HB ARG 92 12.721 28.062 -19.593 759 1HG ARG 92 1HG ARG 92 10.850 26.779 -18.950 760 2HG ARG 92 2HG ARG 92 11.509 26.459 -17.345 761 1HD ARG 92 1HD ARG 92 11.091 28.679 -16.613 762 2HD ARG 92 2HD ARG 92 10.827 29.256 -18.256 763 HE ARG 92 HE ARG 92 8.623 28.606 -18.031 764 1HH1 ARG 92 1HH1 ARG 92 10.630 26.844 -15.831 765 2HH1 ARG 92 2HH1 ARG 92 9.311 26.013 -15.076 766 1HH2 ARG 92 1HH2 ARG 92 6.887 27.519 -17.046 767 2HH2 ARG 92 2HH2 ARG 92 7.193 26.396 -15.763 768 H ASP 93 H ASP 93 14.497 28.641 -19.501 769 HA ASP 93 HA ASP 93 16.340 27.859 -21.505 770 1HB ASP 93 1HB ASP 93 16.455 30.470 -20.002 771 2HB ASP 93 2HB ASP 93 16.894 30.152 -21.679 772 H THR 94 H THR 94 17.977 26.524 -20.923 773 HA THR 94 HA THR 94 19.579 27.207 -18.545 774 HB THR 94 HB THR 94 18.722 24.899 -18.680 775 HG1 THR 94 HG1 THR 94 21.031 23.973 -18.835 776 1HG2 THR 94 1HG2 THR 94 20.488 24.609 -21.119 777 2HG2 THR 94 2HG2 THR 94 18.745 24.859 -21.215 778 3HG2 THR 94 3HG2 THR 94 19.387 23.410 -20.441 779 H LEU 95 H LEU 95 19.570 27.880 -21.758 780 HA LEU 95 HA LEU 95 22.487 27.660 -22.082 781 1HB LEU 95 1HB LEU 95 21.860 28.508 -24.465 782 2HB LEU 95 2HB LEU 95 21.515 26.838 -24.034 783 HG LEU 95 HG LEU 95 19.635 28.073 -25.208 784 1HD1 LEU 95 1HD1 LEU 95 19.554 26.255 -23.034 785 2HD1 LEU 95 2HD1 LEU 95 18.324 26.518 -24.266 786 3HD1 LEU 95 3HD1 LEU 95 18.261 27.422 -22.756 787 1HD2 LEU 95 1HD2 LEU 95 18.361 29.713 -24.006 788 2HD2 LEU 95 2HD2 LEU 95 20.046 30.222 -23.924 789 3HD2 LEU 95 3HD2 LEU 95 19.289 29.449 -22.532 790 H TYR 96 H TYR 96 20.519 29.740 -20.663 791 HA TYR 96 HA TYR 96 21.856 32.156 -21.733 792 1HB TYR 96 1HB TYR 96 19.187 31.748 -21.483 793 2HB TYR 96 2HB TYR 96 19.535 32.444 -19.901 794 HD1 TYR 96 HD1 TYR 96 19.651 34.777 -19.683 795 HD2 TYR 96 HD2 TYR 96 20.260 32.986 -23.541 796 HE1 TYR 96 HE1 TYR 96 19.765 37.029 -20.713 797 HE2 TYR 96 HE2 TYR 96 20.374 35.240 -24.569 798 HH TYR 96 HH TYR 96 20.632 37.462 -24.099 799 H GLN 97 H GLN 97 21.054 33.692 -19.380 800 HA GLN 97 HA GLN 97 22.284 32.495 -17.071 801 1HB GLN 97 1HB GLN 97 24.234 33.148 -18.588 802 2HB GLN 97 2HB GLN 97 23.771 34.823 -18.287 803 1HG GLN 97 1HG GLN 97 23.902 34.312 -15.810 804 2HG GLN 97 2HG GLN 97 24.616 32.758 -16.240 805 1HE2 GLN 97 1HE2 GLN 97 26.540 33.099 -17.971 806 2HE2 GLN 97 2HE2 GLN 97 27.627 34.338 -17.567 807 H ASN 98 H ASN 98 21.927 33.684 -15.200 808 HA ASN 98 HA ASN 98 19.700 35.286 -15.017 809 1HB ASN 98 1HB ASN 98 20.722 34.311 -13.047 810 2HB ASN 98 2HB ASN 98 22.163 35.305 -13.259 811 1HD2 ASN 98 1HD2 ASN 98 19.099 35.192 -11.739 812 2HD2 ASN 98 2HD2 ASN 98 19.008 36.827 -11.288 813 H SER 99 H SER 99 22.770 36.124 -16.262 814 HA SER 99 HA SER 99 21.925 38.680 -17.132 815 1HB SER 99 1HB SER 99 23.540 40.031 -15.745 816 2HB SER 99 2HB SER 99 22.154 39.407 -14.855 817 HG SER 99 HG SER 99 24.665 38.092 -15.027 818 H GLY 100 H GLY 100 23.858 39.967 -17.998 819 1HA GLY 100 1HA GLY 100 26.265 38.446 -18.543 820 2HA GLY 100 2HA GLY 100 25.211 38.659 -19.938 Start of MODEL 15 1 H MET 1 H MET 1 -7.496 14.709 -5.319 2 HA MET 1 HA MET 1 -9.010 16.034 -4.021 3 1HB MET 1 1HB MET 1 -10.745 15.710 -6.480 4 2HB MET 1 2HB MET 1 -11.392 16.204 -4.914 5 1HG MET 1 1HG MET 1 -10.069 18.190 -4.883 6 2HG MET 1 2HG MET 1 -9.073 17.634 -6.227 7 1HE MET 1 1HE MET 1 -9.920 17.157 -8.556 8 2HE MET 1 2HE MET 1 -9.327 18.810 -8.403 9 3HE MET 1 3HE MET 1 -10.787 18.488 -9.335 10 H GLU 2 H GLU 2 -10.561 13.581 -6.113 11 HA GLU 2 HA GLU 2 -11.373 12.072 -3.753 12 1HB GLU 2 1HB GLU 2 -12.359 10.551 -5.626 13 2HB GLU 2 2HB GLU 2 -13.098 12.125 -5.332 14 1HG GLU 2 1HG GLU 2 -10.872 11.829 -7.341 15 2HG GLU 2 2HG GLU 2 -12.535 11.457 -7.787 16 H GLN 3 H GLN 3 -8.894 12.055 -6.140 17 HA GLN 3 HA GLN 3 -8.104 9.493 -6.522 18 1HB GLN 3 1HB GLN 3 -6.920 11.662 -7.192 19 2HB GLN 3 2HB GLN 3 -6.125 11.581 -5.622 20 1HG GLN 3 1HG GLN 3 -4.639 10.476 -7.099 21 2HG GLN 3 2HG GLN 3 -5.481 9.174 -6.261 22 1HE2 GLN 3 1HE2 GLN 3 -6.821 11.191 -8.902 23 2HE2 GLN 3 2HE2 GLN 3 -7.005 9.906 -9.995 24 H PHE 4 H PHE 4 -6.510 11.290 -3.907 25 HA PHE 4 HA PHE 4 -5.535 9.139 -2.494 26 1HB PHE 4 1HB PHE 4 -5.044 10.628 -0.818 27 2HB PHE 4 2HB PHE 4 -5.437 11.788 -2.085 28 HD1 PHE 4 HD1 PHE 4 -6.272 10.584 1.187 29 HD2 PHE 4 HD2 PHE 4 -7.881 12.615 -2.239 30 HE1 PHE 4 HE1 PHE 4 -8.120 11.472 2.583 31 HE2 PHE 4 HE2 PHE 4 -9.729 13.505 -0.841 32 HZ PHE 4 HZ PHE 4 -9.847 12.932 1.568 33 H ASN 5 H ASN 5 -8.751 10.612 -2.191 34 HA ASN 5 HA ASN 5 -9.689 8.958 -0.111 35 1HB ASN 5 1HB ASN 5 -10.755 11.083 -1.142 36 2HB ASN 5 2HB ASN 5 -11.458 9.980 -2.324 37 1HD2 ASN 5 1HD2 ASN 5 -13.415 9.039 -1.714 38 2HD2 ASN 5 2HD2 ASN 5 -13.983 8.934 -0.119 39 H ALA 6 H ALA 6 -9.285 8.441 -3.533 40 HA ALA 6 HA ALA 6 -10.927 6.048 -3.598 41 1HB ALA 6 1HB ALA 6 -8.952 7.000 -5.680 42 2HB ALA 6 2HB ALA 6 -10.598 7.622 -5.556 43 3HB ALA 6 3HB ALA 6 -10.324 5.916 -5.914 44 H PHE 7 H PHE 7 -7.461 6.637 -4.268 45 HA PHE 7 HA PHE 7 -6.636 3.974 -4.229 46 1HB PHE 7 1HB PHE 7 -4.970 5.378 -5.003 47 2HB PHE 7 2HB PHE 7 -5.291 6.605 -3.781 48 HD1 PHE 7 HD1 PHE 7 -3.660 3.348 -4.443 49 HD2 PHE 7 HD2 PHE 7 -4.247 6.519 -1.605 50 HE1 PHE 7 HE1 PHE 7 -1.812 2.449 -3.054 51 HE2 PHE 7 HE2 PHE 7 -2.401 5.617 -0.216 52 HZ PHE 7 HZ PHE 7 -1.184 3.583 -0.941 53 H LYS 8 H LYS 8 -6.886 6.313 -1.587 54 HA LYS 8 HA LYS 8 -5.870 4.623 0.460 55 1HB LYS 8 1HB LYS 8 -6.098 7.135 0.544 56 2HB LYS 8 2HB LYS 8 -7.824 6.885 0.821 57 1HG LYS 8 1HG LYS 8 -7.393 5.641 2.842 58 2HG LYS 8 2HG LYS 8 -5.659 5.609 2.516 59 1HD LYS 8 1HD LYS 8 -6.260 7.332 4.207 60 2HD LYS 8 2HD LYS 8 -5.538 8.042 2.762 61 1HE LYS 8 1HE LYS 8 -7.701 9.128 3.727 62 2HE LYS 8 2HE LYS 8 -7.595 8.871 1.987 63 1HZ LYS 8 1HZ LYS 8 -8.670 6.682 3.581 64 2HZ LYS 8 2HZ LYS 8 -9.121 7.227 2.037 65 3HZ LYS 8 3HZ LYS 8 -9.649 8.057 3.422 66 H SER 9 H SER 9 -9.200 5.341 -0.642 67 HA SER 9 HA SER 9 -10.415 3.891 1.411 68 1HB SER 9 1HB SER 9 -12.413 3.775 -0.198 69 2HB SER 9 2HB SER 9 -11.806 5.388 0.163 70 HG SER 9 HG SER 9 -11.831 5.414 -1.981 71 H LEU 10 H LEU 10 -8.723 2.864 -1.370 72 HA LEU 10 HA LEU 10 -9.932 0.255 -1.581 73 1HB LEU 10 1HB LEU 10 -8.940 0.760 -3.594 74 2HB LEU 10 2HB LEU 10 -7.639 1.680 -2.853 75 HG LEU 10 HG LEU 10 -7.798 -1.311 -2.480 76 1HD1 LEU 10 1HD1 LEU 10 -7.001 -1.800 -4.549 77 2HD1 LEU 10 2HD1 LEU 10 -5.960 -0.380 -4.593 78 3HD1 LEU 10 3HD1 LEU 10 -7.663 -0.238 -5.017 79 1HD2 LEU 10 1HD2 LEU 10 -5.152 -0.184 -2.784 80 2HD2 LEU 10 2HD2 LEU 10 -5.857 -0.975 -1.376 81 3HD2 LEU 10 3HD2 LEU 10 -6.051 0.761 -1.599 82 H LEU 11 H LEU 11 -7.334 1.749 0.217 83 HA LEU 11 HA LEU 11 -6.058 -0.657 1.064 84 1HB LEU 11 1HB LEU 11 -6.026 2.205 1.942 85 2HB LEU 11 2HB LEU 11 -5.433 0.995 3.075 86 HG LEU 11 HG LEU 11 -4.466 0.909 0.234 87 1HD1 LEU 11 1HD1 LEU 11 -4.048 3.201 0.668 88 2HD1 LEU 11 2HD1 LEU 11 -2.536 2.398 1.093 89 3HD1 LEU 11 3HD1 LEU 11 -3.657 2.896 2.360 90 1HD2 LEU 11 1HD2 LEU 11 -2.438 0.041 1.362 91 2HD2 LEU 11 2HD2 LEU 11 -3.864 -0.885 1.830 92 3HD2 LEU 11 3HD2 LEU 11 -3.194 0.319 2.931 93 H LYS 12 H LYS 12 -8.623 1.389 2.441 94 HA LYS 12 HA LYS 12 -9.063 0.284 4.893 95 1HB LYS 12 1HB LYS 12 -10.522 2.015 3.910 96 2HB LYS 12 2HB LYS 12 -11.209 0.814 2.817 97 1HG LYS 12 1HG LYS 12 -12.221 -0.390 4.596 98 2HG LYS 12 2HG LYS 12 -11.253 0.439 5.815 99 1HD LYS 12 1HD LYS 12 -13.057 2.067 4.048 100 2HD LYS 12 2HD LYS 12 -13.766 1.164 5.386 101 1HE LYS 12 1HE LYS 12 -12.620 2.395 7.004 102 2HE LYS 12 2HE LYS 12 -11.343 2.871 5.885 103 1HZ LYS 12 1HZ LYS 12 -12.646 4.769 6.165 104 2HZ LYS 12 2HZ LYS 12 -14.106 3.907 6.063 105 3HZ LYS 12 3HZ LYS 12 -13.154 4.136 4.675 106 H LYS 13 H LYS 13 -10.264 -1.061 1.822 107 HA LYS 13 HA LYS 13 -11.437 -3.404 2.782 108 1HB LYS 13 1HB LYS 13 -10.115 -2.629 0.205 109 2HB LYS 13 2HB LYS 13 -10.579 -4.303 0.454 110 1HG LYS 13 1HG LYS 13 -12.493 -1.988 0.852 111 2HG LYS 13 2HG LYS 13 -12.323 -2.825 -0.687 112 1HD LYS 13 1HD LYS 13 -13.219 -4.043 1.946 113 2HD LYS 13 2HD LYS 13 -14.205 -3.779 0.516 114 1HE LYS 13 1HE LYS 13 -13.679 -6.000 0.195 115 2HE LYS 13 2HE LYS 13 -12.303 -5.267 -0.628 116 1HZ LYS 13 1HZ LYS 13 -12.366 -6.840 1.752 117 2HZ LYS 13 2HZ LYS 13 -11.572 -5.359 2.007 118 3HZ LYS 13 3HZ LYS 13 -11.043 -6.410 0.780 119 H HIS 14 H HIS 14 -8.090 -2.699 1.928 120 HA HIS 14 HA HIS 14 -7.025 -5.298 2.387 121 1HB HIS 14 1HB HIS 14 -5.973 -3.332 1.120 122 2HB HIS 14 2HB HIS 14 -5.507 -2.717 2.702 123 HD1 HIS 14 HD1 HIS 14 -5.578 -6.406 2.322 124 HD2 HIS 14 HD2 HIS 14 -2.753 -3.355 2.017 125 HE1 HIS 14 HE1 HIS 14 -3.308 -7.529 2.323 126 HE2 HIS 14 HE2 HIS 14 -1.575 -5.682 2.137 127 H TYR 15 H TYR 15 -6.625 -2.330 4.318 128 HA TYR 15 HA TYR 15 -5.922 -3.895 6.667 129 1HB TYR 15 1HB TYR 15 -5.767 -1.020 5.849 130 2HB TYR 15 2HB TYR 15 -5.774 -1.402 7.569 131 HD1 TYR 15 HD1 TYR 15 -3.583 -1.205 8.364 132 HD2 TYR 15 HD2 TYR 15 -4.284 -3.195 4.623 133 HE1 TYR 15 HE1 TYR 15 -1.187 -1.824 8.246 134 HE2 TYR 15 HE2 TYR 15 -1.889 -3.815 4.505 135 HH TYR 15 HH TYR 15 0.354 -3.001 7.148 136 H GLU 16 H GLU 16 -8.715 -3.953 5.623 137 HA GLU 16 HA GLU 16 -10.477 -2.350 7.040 138 1HB GLU 16 1HB GLU 16 -11.176 -3.958 5.303 139 2HB GLU 16 2HB GLU 16 -10.791 -5.292 6.391 140 1HG GLU 16 1HG GLU 16 -12.514 -4.691 7.914 141 2HG GLU 16 2HG GLU 16 -12.720 -3.104 7.173 142 H LYS 17 H LYS 17 -9.377 -5.609 7.991 143 HA LYS 17 HA LYS 17 -10.327 -5.262 10.695 144 1HB LYS 17 1HB LYS 17 -8.590 -7.417 9.465 145 2HB LYS 17 2HB LYS 17 -9.322 -7.485 11.069 146 1HG LYS 17 1HG LYS 17 -11.548 -7.430 10.130 147 2HG LYS 17 2HG LYS 17 -10.914 -7.142 8.512 148 1HD LYS 17 1HD LYS 17 -10.360 -9.627 10.162 149 2HD LYS 17 2HD LYS 17 -11.569 -9.525 8.885 150 1HE LYS 17 1HE LYS 17 -8.587 -9.575 8.672 151 2HE LYS 17 2HE LYS 17 -9.795 -10.358 7.657 152 1HZ LYS 17 1HZ LYS 17 -8.803 -8.582 6.438 153 2HZ LYS 17 2HZ LYS 17 -9.098 -7.475 7.692 154 3HZ LYS 17 3HZ LYS 17 -10.395 -8.132 6.813 155 H THR 18 H THR 18 -7.856 -3.887 9.147 156 HA THR 18 HA THR 18 -6.173 -3.777 11.574 157 HB THR 18 HB THR 18 -4.981 -3.660 8.812 158 HG1 THR 18 HG1 THR 18 -6.049 -5.804 10.104 159 1HG2 THR 18 1HG2 THR 18 -3.760 -4.670 11.377 160 2HG2 THR 18 2HG2 THR 18 -3.804 -2.947 11.004 161 3HG2 THR 18 3HG2 THR 18 -2.945 -4.059 9.938 162 H ILE 19 H ILE 19 -8.232 -1.969 10.869 163 HA ILE 19 HA ILE 19 -7.119 0.313 9.517 164 HB ILE 19 HB ILE 19 -9.526 -0.065 9.490 165 1HG1 ILE 19 1HG1 ILE 19 -9.005 2.354 11.231 166 2HG1 ILE 19 2HG1 ILE 19 -8.502 2.288 9.541 167 1HG2 ILE 19 1HG2 ILE 19 -9.710 0.622 12.410 168 2HG2 ILE 19 2HG2 ILE 19 -9.389 -1.045 11.938 169 3HG2 ILE 19 3HG2 ILE 19 -10.860 -0.244 11.393 170 1HD1 ILE 19 1HD1 ILE 19 -10.861 1.772 8.902 171 2HD1 ILE 19 2HD1 ILE 19 -10.693 3.348 9.676 172 3HD1 ILE 19 3HD1 ILE 19 -11.330 1.981 10.589 173 H GLY 20 H GLY 20 -8.123 -0.192 12.925 174 1HA GLY 20 1HA GLY 20 -7.395 1.984 14.232 175 2HA GLY 20 2HA GLY 20 -6.896 0.410 14.846 176 H PHE 21 H PHE 21 -4.883 -0.462 13.540 177 HA PHE 21 HA PHE 21 -2.635 0.927 14.252 178 1HB PHE 21 1HB PHE 21 -2.371 -1.315 13.499 179 2HB PHE 21 2HB PHE 21 -3.095 -0.952 11.933 180 HD1 PHE 21 HD1 PHE 21 -1.700 -0.469 10.115 181 HD2 PHE 21 HD2 PHE 21 -0.222 0.081 14.112 182 HE1 PHE 21 HE1 PHE 21 0.541 0.089 9.210 183 HE2 PHE 21 HE2 PHE 21 2.019 0.637 13.206 184 HZ PHE 21 HZ PHE 21 2.398 0.641 10.755 185 H HIS 22 H HIS 22 -4.316 1.089 11.121 186 HA HIS 22 HA HIS 22 -2.599 3.029 9.963 187 1HB HIS 22 1HB HIS 22 -4.144 1.583 8.651 188 2HB HIS 22 2HB HIS 22 -5.505 2.482 9.319 189 HD1 HIS 22 HD1 HIS 22 -4.573 5.338 9.167 190 HD2 HIS 22 HD2 HIS 22 -3.869 2.619 6.086 191 HE1 HIS 22 HE1 HIS 22 -4.182 6.713 7.077 192 HE2 HIS 22 HE2 HIS 22 -3.753 5.068 5.188 193 H ASP 23 H ASP 23 -5.583 3.246 11.853 194 HA ASP 23 HA ASP 23 -5.818 6.100 11.549 195 1HB ASP 23 1HB ASP 23 -7.712 4.439 11.997 196 2HB ASP 23 2HB ASP 23 -7.141 4.408 13.664 197 H LYS 24 H LYS 24 -3.992 4.006 13.536 198 HA LYS 24 HA LYS 24 -3.622 6.067 15.600 199 1HB LYS 24 1HB LYS 24 -3.920 3.333 15.796 200 2HB LYS 24 2HB LYS 24 -2.176 3.530 15.929 201 1HG LYS 24 1HG LYS 24 -2.879 3.756 18.155 202 2HG LYS 24 2HG LYS 24 -2.761 5.433 17.624 203 1HD LYS 24 1HD LYS 24 -5.257 5.194 16.972 204 2HD LYS 24 2HD LYS 24 -5.239 3.745 17.977 205 1HE LYS 24 1HE LYS 24 -4.500 5.047 19.906 206 2HE LYS 24 2HE LYS 24 -4.392 6.502 18.914 207 1HZ LYS 24 1HZ LYS 24 -6.454 6.681 19.918 208 2HZ LYS 24 2HZ LYS 24 -6.796 5.023 19.770 209 3HZ LYS 24 3HZ LYS 24 -6.839 6.027 18.400 210 H TYR 25 H TYR 25 -1.603 3.975 13.490 211 HA TYR 25 HA TYR 25 0.726 5.569 14.165 212 1HB TYR 25 1HB TYR 25 0.229 3.078 12.575 213 2HB TYR 25 2HB TYR 25 1.738 3.961 12.348 214 HD1 TYR 25 HD1 TYR 25 -0.412 2.308 14.902 215 HD2 TYR 25 HD2 TYR 25 3.476 3.874 13.965 216 HE1 TYR 25 HE1 TYR 25 0.494 1.303 16.980 217 HE2 TYR 25 HE2 TYR 25 4.383 2.870 16.042 218 HH TYR 25 HH TYR 25 2.661 1.964 18.547 219 H ILE 26 H ILE 26 -0.132 4.394 10.964 220 HA ILE 26 HA ILE 26 1.063 6.346 9.467 221 HB ILE 26 HB ILE 26 -1.516 4.929 8.766 222 1HG1 ILE 26 1HG1 ILE 26 1.362 4.120 8.240 223 2HG1 ILE 26 2HG1 ILE 26 0.366 3.440 9.526 224 1HG2 ILE 26 1HG2 ILE 26 -0.637 5.218 6.438 225 2HG2 ILE 26 2HG2 ILE 26 0.660 6.218 7.091 226 3HG2 ILE 26 3HG2 ILE 26 -1.016 6.751 7.225 227 1HD1 ILE 26 1HD1 ILE 26 -1.241 2.598 7.899 228 2HD1 ILE 26 2HD1 ILE 26 0.371 2.030 7.462 229 3HD1 ILE 26 3HD1 ILE 26 -0.360 3.373 6.582 230 H LYS 27 H LYS 27 -2.108 6.526 10.998 231 HA LYS 27 HA LYS 27 -3.417 8.515 9.750 232 1HB LYS 27 1HB LYS 27 -4.162 7.530 11.868 233 2HB LYS 27 2HB LYS 27 -2.945 8.460 12.735 234 1HG LYS 27 1HG LYS 27 -4.002 10.514 12.269 235 2HG LYS 27 2HG LYS 27 -4.938 9.834 10.936 236 1HD LYS 27 1HD LYS 27 -6.177 8.423 12.596 237 2HD LYS 27 2HD LYS 27 -5.321 9.264 13.889 238 1HE LYS 27 1HE LYS 27 -7.574 10.240 13.429 239 2HE LYS 27 2HE LYS 27 -6.268 11.398 13.181 240 1HZ LYS 27 1HZ LYS 27 -8.196 10.696 11.364 241 2HZ LYS 27 2HZ LYS 27 -6.799 9.895 10.823 242 3HZ LYS 27 3HZ LYS 27 -6.784 11.580 11.046 243 H ASP 28 H ASP 28 -1.026 9.258 12.300 244 HA ASP 28 HA ASP 28 -0.915 12.022 11.789 245 1HB ASP 28 1HB ASP 28 -0.077 10.808 13.850 246 2HB ASP 28 2HB ASP 28 1.341 10.353 12.907 247 H ILE 29 H ILE 29 -0.911 11.592 9.330 248 HA ILE 29 HA ILE 29 1.650 12.366 8.330 249 HB ILE 29 HB ILE 29 1.602 9.718 8.622 250 1HG1 ILE 29 1HG1 ILE 29 3.038 9.629 6.479 251 2HG1 ILE 29 2HG1 ILE 29 2.663 11.341 6.300 252 1HG2 ILE 29 1HG2 ILE 29 -0.543 9.684 7.184 253 2HG2 ILE 29 2HG2 ILE 29 0.725 8.530 6.776 254 3HG2 ILE 29 3HG2 ILE 29 0.526 9.994 5.816 255 1HD1 ILE 29 1HD1 ILE 29 4.311 11.834 7.750 256 2HD1 ILE 29 2HD1 ILE 29 4.637 10.118 7.987 257 3HD1 ILE 29 3HD1 ILE 29 3.462 10.941 9.010 258 H ASN 30 H ASN 30 1.577 12.658 5.921 259 HA ASN 30 HA ASN 30 -0.829 12.487 4.456 260 1HB ASN 30 1HB ASN 30 -1.327 14.968 4.388 261 2HB ASN 30 2HB ASN 30 -1.749 14.160 5.896 262 1HD2 ASN 30 1HD2 ASN 30 1.648 14.503 5.487 263 2HD2 ASN 30 2HD2 ASN 30 1.855 15.857 6.489 264 H ARG 31 H ARG 31 1.847 11.919 3.944 265 HA ARG 31 HA ARG 31 2.424 13.836 1.771 266 1HB ARG 31 1HB ARG 31 4.062 13.276 4.065 267 2HB ARG 31 2HB ARG 31 4.873 12.651 2.631 268 1HG ARG 31 1HG ARG 31 5.608 14.895 2.830 269 2HG ARG 31 2HG ARG 31 4.395 14.923 1.552 270 1HD ARG 31 1HD ARG 31 2.698 15.664 3.182 271 2HD ARG 31 2HD ARG 31 3.906 15.628 4.460 272 HE ARG 31 HE ARG 31 4.720 17.652 3.667 273 1HH1 ARG 31 1HH1 ARG 31 2.705 16.113 1.312 274 2HH1 ARG 31 2HH1 ARG 31 2.697 17.468 0.232 275 1HH2 ARG 31 1HH2 ARG 31 4.713 19.433 2.255 276 2HH2 ARG 31 2HH2 ARG 31 3.833 19.347 0.766 277 H PHE 32 H PHE 32 1.989 12.754 -0.017 278 HA PHE 32 HA PHE 32 3.324 10.188 -0.515 279 1HB PHE 32 1HB PHE 32 1.324 9.086 -1.263 280 2HB PHE 32 2HB PHE 32 0.994 9.709 0.354 281 HD1 PHE 32 HD1 PHE 32 -0.486 11.627 0.699 282 HD2 PHE 32 HD2 PHE 32 0.309 10.108 -3.240 283 HE1 PHE 32 HE1 PHE 32 -2.391 12.940 -0.193 284 HE2 PHE 32 HE2 PHE 32 -1.597 11.422 -4.131 285 HZ PHE 32 HZ PHE 32 -2.947 12.838 -2.607 286 H VAL 33 H VAL 33 4.052 10.033 -2.575 287 HA VAL 33 HA VAL 33 3.034 12.000 -4.535 288 HB VAL 33 HB VAL 33 5.255 12.534 -5.251 289 1HG1 VAL 33 1HG1 VAL 33 4.283 13.576 -3.109 290 2HG1 VAL 33 2HG1 VAL 33 6.023 13.733 -3.351 291 3HG1 VAL 33 3HG1 VAL 33 5.395 12.523 -2.233 292 1HG2 VAL 33 1HG2 VAL 33 6.388 10.430 -5.057 293 2HG2 VAL 33 2HG2 VAL 33 6.070 10.344 -3.324 294 3HG2 VAL 33 3HG2 VAL 33 7.213 11.530 -3.954 295 H PHE 34 H PHE 34 2.580 11.252 -6.443 296 HA PHE 34 HA PHE 34 3.656 8.644 -7.336 297 1HB PHE 34 1HB PHE 34 1.407 8.135 -6.784 298 2HB PHE 34 2HB PHE 34 0.827 9.695 -7.349 299 HD1 PHE 34 HD1 PHE 34 -0.649 9.291 -9.113 300 HD2 PHE 34 HD2 PHE 34 3.086 7.176 -8.969 301 HE1 PHE 34 HE1 PHE 34 -1.109 8.327 -11.351 302 HE2 PHE 34 HE2 PHE 34 2.626 6.210 -11.204 303 HZ PHE 34 HZ PHE 34 0.528 6.784 -12.396 304 H LYS 35 H LYS 35 4.493 8.695 -9.397 305 HA LYS 35 HA LYS 35 3.575 10.276 -11.515 306 1HB LYS 35 1HB LYS 35 4.258 12.237 -10.294 307 2HB LYS 35 2HB LYS 35 5.842 11.540 -9.963 308 1HG LYS 35 1HG LYS 35 6.530 11.732 -12.212 309 2HG LYS 35 2HG LYS 35 4.879 11.923 -12.797 310 1HD LYS 35 1HD LYS 35 5.905 13.967 -10.864 311 2HD LYS 35 2HD LYS 35 6.524 14.023 -12.512 312 1HE LYS 35 1HE LYS 35 4.564 15.444 -12.391 313 2HE LYS 35 2HE LYS 35 4.150 14.020 -13.340 314 1HZ LYS 35 1HZ LYS 35 3.698 13.970 -10.444 315 2HZ LYS 35 2HZ LYS 35 2.854 13.172 -11.683 316 3HZ LYS 35 3HZ LYS 35 2.611 14.833 -11.418 317 H ASN 36 H ASN 36 6.070 8.412 -10.014 318 HA ASN 36 HA ASN 36 7.277 7.900 -12.676 319 1HB ASN 36 1HB ASN 36 9.321 7.222 -11.338 320 2HB ASN 36 2HB ASN 36 8.937 8.943 -11.323 321 1HD2 ASN 36 1HD2 ASN 36 10.321 7.149 -9.241 322 2HD2 ASN 36 2HD2 ASN 36 9.460 7.448 -7.808 323 H ASN 37 H ASN 37 5.056 6.472 -12.118 324 HA ASN 37 HA ASN 37 4.222 4.343 -11.899 325 1HB ASN 37 1HB ASN 37 6.093 4.083 -13.643 326 2HB ASN 37 2HB ASN 37 7.042 3.374 -12.337 327 1HD2 ASN 37 1HD2 ASN 37 6.155 1.886 -14.679 328 2HD2 ASN 37 2HD2 ASN 37 5.086 0.685 -14.137 329 H VAL 38 H VAL 38 6.342 5.618 -9.719 330 HA VAL 38 HA VAL 38 6.069 3.311 -7.884 331 HB VAL 38 HB VAL 38 8.247 5.414 -7.980 332 1HG1 VAL 38 1HG1 VAL 38 9.243 3.908 -6.181 333 2HG1 VAL 38 2HG1 VAL 38 7.657 3.149 -6.060 334 3HG1 VAL 38 3HG1 VAL 38 7.846 4.861 -5.682 335 1HG2 VAL 38 1HG2 VAL 38 8.248 3.510 -9.699 336 2HG2 VAL 38 2HG2 VAL 38 8.480 2.417 -8.333 337 3HG2 VAL 38 3HG2 VAL 38 9.691 3.649 -8.692 338 H LEU 39 H LEU 39 5.623 3.824 -5.680 339 HA LEU 39 HA LEU 39 4.551 6.551 -5.251 340 1HB LEU 39 1HB LEU 39 3.248 3.895 -4.898 341 2HB LEU 39 2HB LEU 39 2.954 5.087 -3.635 342 HG LEU 39 HG LEU 39 2.419 6.720 -5.571 343 1HD1 LEU 39 1HD1 LEU 39 2.334 4.045 -6.979 344 2HD1 LEU 39 2HD1 LEU 39 3.215 5.490 -7.462 345 3HD1 LEU 39 3HD1 LEU 39 1.459 5.457 -7.567 346 1HD2 LEU 39 1HD2 LEU 39 0.694 5.886 -4.081 347 2HD2 LEU 39 2HD2 LEU 39 0.642 4.350 -4.947 348 3HD2 LEU 39 3HD2 LEU 39 0.089 5.827 -5.737 349 H LEU 40 H LEU 40 5.409 7.561 -3.567 350 HA LEU 40 HA LEU 40 6.684 5.915 -1.453 351 1HB LEU 40 1HB LEU 40 7.857 7.840 -3.133 352 2HB LEU 40 2HB LEU 40 7.634 8.675 -1.599 353 HG LEU 40 HG LEU 40 8.844 5.909 -1.678 354 1HD1 LEU 40 1HD1 LEU 40 10.266 7.090 -3.178 355 2HD1 LEU 40 2HD1 LEU 40 11.077 7.159 -1.614 356 3HD1 LEU 40 3HD1 LEU 40 10.191 8.562 -2.209 357 1HD2 LEU 40 1HD2 LEU 40 9.362 6.317 0.515 358 2HD2 LEU 40 2HD2 LEU 40 8.070 7.511 0.404 359 3HD2 LEU 40 3HD2 LEU 40 9.749 8.010 0.215 360 H ILE 41 H ILE 41 6.353 6.507 0.679 361 HA ILE 41 HA ILE 41 4.529 8.766 1.202 362 HB ILE 41 HB ILE 41 4.078 5.915 2.116 363 1HG1 ILE 41 1HG1 ILE 41 2.313 7.803 0.525 364 2HG1 ILE 41 2HG1 ILE 41 3.319 6.551 -0.202 365 1HG2 ILE 41 1HG2 ILE 41 3.554 7.304 3.983 366 2HG2 ILE 41 2HG2 ILE 41 2.013 6.997 3.183 367 3HG2 ILE 41 3HG2 ILE 41 2.832 8.540 2.953 368 1HD1 ILE 41 1HD1 ILE 41 1.001 5.758 0.107 369 2HD1 ILE 41 2HD1 ILE 41 1.128 6.072 1.838 370 3HD1 ILE 41 3HD1 ILE 41 2.129 4.827 1.093 371 H LEU 42 H LEU 42 4.982 9.861 3.022 372 HA LEU 42 HA LEU 42 7.409 9.452 4.392 373 1HB LEU 42 1HB LEU 42 5.385 11.425 4.299 374 2HB LEU 42 2HB LEU 42 5.513 10.961 5.985 375 HG LEU 42 HG LEU 42 7.054 12.746 5.691 376 1HD1 LEU 42 1HD1 LEU 42 8.873 11.777 6.640 377 2HD1 LEU 42 2HD1 LEU 42 9.106 10.653 5.304 378 3HD1 LEU 42 3HD1 LEU 42 7.918 10.298 6.559 379 1HD2 LEU 42 1HD2 LEU 42 8.812 12.630 3.879 380 2HD2 LEU 42 2HD2 LEU 42 7.166 12.864 3.296 381 3HD2 LEU 42 3HD2 LEU 42 7.920 11.275 3.190 382 H LEU 43 H LEU 43 7.921 8.368 6.211 383 HA LEU 43 HA LEU 43 5.871 7.412 8.035 384 1HB LEU 43 1HB LEU 43 6.080 5.726 6.110 385 2HB LEU 43 2HB LEU 43 7.682 5.373 6.755 386 HG LEU 43 HG LEU 43 6.538 5.010 9.017 387 1HD1 LEU 43 1HD1 LEU 43 4.066 4.208 8.553 388 2HD1 LEU 43 2HD1 LEU 43 4.163 5.335 7.200 389 3HD1 LEU 43 3HD1 LEU 43 4.395 5.913 8.850 390 1HD2 LEU 43 1HD2 LEU 43 7.333 3.213 7.391 391 2HD2 LEU 43 2HD2 LEU 43 5.667 3.107 6.827 392 3HD2 LEU 43 3HD2 LEU 43 6.058 2.716 8.502 393 H GLU 44 H GLU 44 6.774 8.252 9.834 394 HA GLU 44 HA GLU 44 9.659 8.079 10.256 395 1HB GLU 44 1HB GLU 44 9.232 9.472 12.229 396 2HB GLU 44 2HB GLU 44 8.497 10.176 10.789 397 1HG GLU 44 1HG GLU 44 6.374 8.830 11.526 398 2HG GLU 44 2HG GLU 44 7.164 8.785 13.102 399 H ASN 45 H ASN 45 6.713 7.145 12.067 400 HA ASN 45 HA ASN 45 7.699 5.847 14.217 401 1HB ASN 45 1HB ASN 45 5.442 5.080 12.382 402 2HB ASN 45 2HB ASN 45 5.825 4.101 13.796 403 1HD2 ASN 45 1HD2 ASN 45 4.131 6.892 12.747 404 2HD2 ASN 45 2HD2 ASN 45 3.795 7.540 14.279 405 H GLU 46 H GLU 46 9.718 4.943 13.965 406 HA GLU 46 HA GLU 46 10.792 3.331 12.070 407 1HB GLU 46 1HB GLU 46 12.182 3.863 13.889 408 2HB GLU 46 2HB GLU 46 11.032 3.239 15.070 409 1HG GLU 46 1HG GLU 46 13.039 1.749 14.658 410 2HG GLU 46 2HG GLU 46 11.481 0.962 14.428 411 H PHE 47 H PHE 47 8.537 2.308 14.606 412 HA PHE 47 HA PHE 47 8.647 -0.451 14.097 413 1HB PHE 47 1HB PHE 47 7.608 0.532 16.107 414 2HB PHE 47 2HB PHE 47 6.315 1.196 15.107 415 HD1 PHE 47 HD1 PHE 47 8.032 -2.044 15.862 416 HD2 PHE 47 HD2 PHE 47 4.387 -0.072 14.740 417 HE1 PHE 47 HE1 PHE 47 6.821 -4.206 16.005 418 HE2 PHE 47 HE2 PHE 47 3.173 -2.233 14.881 419 HZ PHE 47 HZ PHE 47 4.391 -4.300 15.513 420 H ALA 48 H ALA 48 5.980 1.735 13.227 421 HA ALA 48 HA ALA 48 4.545 0.200 11.525 422 1HB ALA 48 1HB ALA 48 5.261 3.116 11.162 423 2HB ALA 48 2HB ALA 48 3.870 2.467 12.030 424 3HB ALA 48 3HB ALA 48 3.977 2.291 10.279 425 H ARG 49 H ARG 49 7.716 1.536 10.851 426 HA ARG 49 HA ARG 49 7.562 0.833 8.022 427 1HB ARG 49 1HB ARG 49 10.239 1.407 9.073 428 2HB ARG 49 2HB ARG 49 9.355 2.194 7.767 429 1HG ARG 49 1HG ARG 49 7.964 3.310 9.621 430 2HG ARG 49 2HG ARG 49 9.215 2.749 10.718 431 1HD ARG 49 1HD ARG 49 9.786 4.412 8.260 432 2HD ARG 49 2HD ARG 49 9.565 5.094 9.867 433 HE ARG 49 HE ARG 49 11.627 4.156 10.522 434 1HH1 ARG 49 1HH1 ARG 49 10.705 3.270 7.302 435 2HH1 ARG 49 2HH1 ARG 49 12.272 2.673 6.873 436 1HH2 ARG 49 1HH2 ARG 49 13.682 3.376 9.960 437 2HH2 ARG 49 2HH2 ARG 49 13.956 2.733 8.376 438 H ASN 50 H ASN 50 8.910 -0.395 11.005 439 HA ASN 50 HA ASN 50 10.708 -2.281 10.132 440 1HB ASN 50 1HB ASN 50 10.182 -1.668 12.502 441 2HB ASN 50 2HB ASN 50 8.752 -2.693 12.393 442 1HD2 ASN 50 1HD2 ASN 50 11.971 -2.738 13.341 443 2HD2 ASN 50 2HD2 ASN 50 12.256 -4.407 13.217 444 H SER 51 H SER 51 7.205 -2.606 10.565 445 HA SER 51 HA SER 51 7.153 -5.329 9.510 446 1HB SER 51 1HB SER 51 5.685 -3.982 11.399 447 2HB SER 51 2HB SER 51 4.591 -4.017 10.021 448 HG SER 51 HG SER 51 4.521 -6.150 10.117 449 H LEU 52 H LEU 52 5.758 -2.157 8.618 450 HA LEU 52 HA LEU 52 4.240 -2.935 6.462 451 1HB LEU 52 1HB LEU 52 5.786 -0.419 7.002 452 2HB LEU 52 2HB LEU 52 4.915 -0.620 5.484 453 HG LEU 52 HG LEU 52 3.656 -0.961 8.224 454 1HD1 LEU 52 1HD1 LEU 52 4.407 1.389 7.689 455 2HD1 LEU 52 2HD1 LEU 52 2.668 1.218 7.914 456 3HD1 LEU 52 3HD1 LEU 52 3.340 1.348 6.289 457 1HD2 LEU 52 1HD2 LEU 52 2.725 -1.289 5.410 458 2HD2 LEU 52 2HD2 LEU 52 1.614 -0.472 6.508 459 3HD2 LEU 52 3HD2 LEU 52 2.180 -2.099 6.878 460 H ASN 53 H ASN 53 7.667 -1.889 6.253 461 HA ASN 53 HA ASN 53 7.848 -2.659 3.515 462 1HB ASN 53 1HB ASN 53 10.058 -1.934 3.592 463 2HB ASN 53 2HB ASN 53 9.346 -1.007 4.910 464 1HD2 ASN 53 1HD2 ASN 53 11.956 -2.995 4.161 465 2HD2 ASN 53 2HD2 ASN 53 12.364 -3.486 5.734 466 H ASP 54 H ASP 54 7.809 -4.475 6.369 467 HA ASP 54 HA ASP 54 9.554 -6.596 5.542 468 1HB ASP 54 1HB ASP 54 8.700 -6.060 7.927 469 2HB ASP 54 2HB ASP 54 7.248 -6.936 7.452 470 H ASN 55 H ASN 55 6.247 -5.700 5.031 471 HA ASN 55 HA ASN 55 5.927 -7.635 2.919 472 1HB ASN 55 1HB ASN 55 3.950 -8.749 3.890 473 2HB ASN 55 2HB ASN 55 5.401 -9.064 4.839 474 1HD2 ASN 55 1HD2 ASN 55 2.177 -8.086 5.107 475 2HD2 ASN 55 2HD2 ASN 55 2.267 -7.350 6.634 476 H SER 56 H SER 56 5.805 -5.350 2.083 477 HA SER 56 HA SER 56 3.189 -4.077 2.531 478 1HB SER 56 1HB SER 56 4.320 -2.253 1.066 479 2HB SER 56 2HB SER 56 4.858 -2.454 2.731 480 HG SER 56 HG SER 56 6.359 -4.084 1.573 481 H GLU 57 H GLU 57 2.731 -6.307 1.222 482 HA GLU 57 HA GLU 57 3.014 -6.155 -1.621 483 1HB GLU 57 1HB GLU 57 0.931 -7.755 -0.136 484 2HB GLU 57 2HB GLU 57 1.672 -8.108 -1.698 485 1HG GLU 57 1HG GLU 57 3.091 -8.100 0.981 486 2HG GLU 57 2HG GLU 57 2.658 -9.529 0.043 487 H ILE 58 H ILE 58 2.022 -3.711 -0.668 488 HA ILE 58 HA ILE 58 -0.808 -3.521 -0.923 489 HB ILE 58 HB ILE 58 1.377 -1.438 -1.142 490 1HG1 ILE 58 1HG1 ILE 58 -0.610 -2.073 1.065 491 2HG1 ILE 58 2HG1 ILE 58 1.072 -2.601 1.057 492 1HG2 ILE 58 1HG2 ILE 58 -0.630 0.118 -0.667 493 2HG2 ILE 58 2HG2 ILE 58 -1.636 -1.224 -1.210 494 3HG2 ILE 58 3HG2 ILE 58 -0.463 -0.501 -2.308 495 1HD1 ILE 58 1HD1 ILE 58 0.019 0.230 1.185 496 2HD1 ILE 58 2HD1 ILE 58 1.702 -0.138 0.805 497 3HD1 ILE 58 3HD1 ILE 58 1.029 -0.605 2.366 498 H ILE 59 H ILE 59 1.551 -4.179 -3.189 499 HA ILE 59 HA ILE 59 0.425 -2.734 -5.425 500 HB ILE 59 HB ILE 59 2.745 -3.210 -5.580 501 1HG1 ILE 59 1HG1 ILE 59 1.575 -5.431 -7.263 502 2HG1 ILE 59 2HG1 ILE 59 1.243 -3.738 -7.634 503 1HG2 ILE 59 1HG2 ILE 59 3.524 -5.646 -5.487 504 2HG2 ILE 59 2HG2 ILE 59 1.937 -6.019 -4.814 505 3HG2 ILE 59 3HG2 ILE 59 3.023 -4.926 -3.957 506 1HD1 ILE 59 1HD1 ILE 59 3.719 -3.323 -7.681 507 2HD1 ILE 59 2HD1 ILE 59 3.176 -4.447 -8.926 508 3HD1 ILE 59 3HD1 ILE 59 3.969 -5.056 -7.474 509 H HIS 60 H HIS 60 -0.691 -5.156 -3.608 510 HA HIS 60 HA HIS 60 -1.780 -6.987 -5.605 511 1HB HIS 60 1HB HIS 60 -1.822 -6.702 -2.639 512 2HB HIS 60 2HB HIS 60 -3.139 -7.588 -3.401 513 HD1 HIS 60 HD1 HIS 60 -0.267 -8.466 -1.777 514 HD2 HIS 60 HD2 HIS 60 -1.553 -9.300 -5.654 515 HE1 HIS 60 HE1 HIS 60 1.012 -10.519 -2.530 516 HE2 HIS 60 HE2 HIS 60 0.237 -11.040 -4.892 517 H LEU 61 H LEU 61 -2.743 -4.017 -4.078 518 HA LEU 61 HA LEU 61 -5.389 -4.267 -5.393 519 1HB LEU 61 1HB LEU 61 -5.335 -2.489 -3.064 520 2HB LEU 61 2HB LEU 61 -6.503 -3.731 -3.506 521 HG LEU 61 HG LEU 61 -4.581 -5.389 -2.791 522 1HD1 LEU 61 1HD1 LEU 61 -3.918 -3.080 -0.966 523 2HD1 LEU 61 2HD1 LEU 61 -3.040 -3.309 -2.477 524 3HD1 LEU 61 3HD1 LEU 61 -3.008 -4.566 -1.241 525 1HD2 LEU 61 1HD2 LEU 61 -6.588 -5.471 -1.576 526 2HD2 LEU 61 2HD2 LEU 61 -6.443 -3.799 -1.039 527 3HD2 LEU 61 3HD2 LEU 61 -5.406 -5.043 -0.340 528 H ALA 62 H ALA 62 -2.779 -2.146 -4.341 529 HA ALA 62 HA ALA 62 -3.728 0.303 -5.239 530 1HB ALA 62 1HB ALA 62 -1.699 0.351 -4.051 531 2HB ALA 62 2HB ALA 62 -1.227 0.768 -5.696 532 3HB ALA 62 3HB ALA 62 -0.957 -0.866 -5.089 533 H GLU 63 H GLU 63 -2.399 -2.390 -7.050 534 HA GLU 63 HA GLU 63 -1.984 -1.007 -9.493 535 1HB GLU 63 1HB GLU 63 -1.956 -3.319 -10.474 536 2HB GLU 63 2HB GLU 63 -0.860 -3.101 -9.109 537 1HG GLU 63 1HG GLU 63 -2.520 -4.094 -7.594 538 2HG GLU 63 2HG GLU 63 -3.646 -4.279 -8.933 539 H SER 64 H SER 64 -4.633 -0.505 -8.311 540 HA SER 64 HA SER 64 -6.281 -1.469 -10.570 541 1HB SER 64 1HB SER 64 -8.157 -1.736 -9.164 542 2HB SER 64 2HB SER 64 -6.831 -2.404 -8.219 543 HG SER 64 HG SER 64 -8.195 -0.898 -7.068 544 H LEU 65 H LEU 65 -5.587 1.157 -8.315 545 HA LEU 65 HA LEU 65 -7.317 2.986 -9.807 546 1HB LEU 65 1HB LEU 65 -6.991 2.967 -7.227 547 2HB LEU 65 2HB LEU 65 -5.469 3.785 -7.570 548 HG LEU 65 HG LEU 65 -7.025 5.317 -9.097 549 1HD1 LEU 65 1HD1 LEU 65 -9.244 5.624 -8.088 550 2HD1 LEU 65 2HD1 LEU 65 -8.915 4.326 -6.941 551 3HD1 LEU 65 3HD1 LEU 65 -9.060 3.967 -8.661 552 1HD2 LEU 65 1HD2 LEU 65 -5.666 6.046 -7.137 553 2HD2 LEU 65 2HD2 LEU 65 -6.988 5.559 -6.078 554 3HD2 LEU 65 3HD2 LEU 65 -7.221 6.875 -7.224 555 H TYR 66 H TYR 66 -3.965 2.153 -9.387 556 HA TYR 66 HA TYR 66 -3.187 4.243 -11.341 557 1HB TYR 66 1HB TYR 66 -1.662 3.021 -9.038 558 2HB TYR 66 2HB TYR 66 -0.888 3.969 -10.306 559 HD1 TYR 66 HD1 TYR 66 -2.101 6.298 -10.819 560 HD2 TYR 66 HD2 TYR 66 -2.383 4.127 -7.124 561 HE1 TYR 66 HE1 TYR 66 -2.724 8.387 -9.636 562 HE2 TYR 66 HE2 TYR 66 -3.010 6.214 -5.944 563 HH TYR 66 HH TYR 66 -3.646 8.356 -6.213 564 H GLU 67 H GLU 67 -4.206 1.986 -12.401 565 HA GLU 67 HA GLU 67 -2.971 -0.326 -12.826 566 1HB GLU 67 1HB GLU 67 -3.394 0.076 -15.372 567 2HB GLU 67 2HB GLU 67 -4.765 0.072 -14.262 568 1HG GLU 67 1HG GLU 67 -4.745 2.504 -14.154 569 2HG GLU 67 2HG GLU 67 -3.291 2.567 -15.148 570 H GLY 68 H GLY 68 -0.876 -0.813 -12.799 571 1HA GLY 68 1HA GLY 68 1.069 -0.951 -14.358 572 2HA GLY 68 2HA GLY 68 0.983 0.806 -14.451 573 H ILE 69 H ILE 69 0.166 -0.063 -11.356 574 HA ILE 69 HA ILE 69 2.248 1.152 -10.060 575 HB ILE 69 HB ILE 69 0.447 -1.111 -9.219 576 1HG1 ILE 69 1HG1 ILE 69 -0.184 1.435 -9.591 577 2HG1 ILE 69 2HG1 ILE 69 -0.817 0.556 -8.203 578 1HG2 ILE 69 1HG2 ILE 69 2.699 0.194 -7.693 579 2HG2 ILE 69 2HG2 ILE 69 2.315 -1.519 -7.838 580 3HG2 ILE 69 3HG2 ILE 69 1.295 -0.468 -6.857 581 1HD1 ILE 69 1HD1 ILE 69 1.787 2.070 -8.024 582 2HD1 ILE 69 2HD1 ILE 69 0.723 1.558 -6.715 583 3HD1 ILE 69 3HD1 ILE 69 0.244 2.884 -7.771 584 H LYS 70 H LYS 70 4.323 0.765 -9.806 585 HA LYS 70 HA LYS 70 5.479 -1.765 -10.691 586 1HB LYS 70 1HB LYS 70 6.322 0.881 -10.762 587 2HB LYS 70 2HB LYS 70 7.313 0.173 -9.491 588 1HG LYS 70 1HG LYS 70 6.972 -1.031 -12.256 589 2HG LYS 70 2HG LYS 70 8.335 -0.022 -11.774 590 1HD LYS 70 1HD LYS 70 8.738 -1.665 -9.878 591 2HD LYS 70 2HD LYS 70 7.558 -2.724 -10.651 592 1HE LYS 70 1HE LYS 70 9.018 -2.349 -12.798 593 2HE LYS 70 2HE LYS 70 10.266 -1.871 -11.644 594 1HZ LYS 70 1HZ LYS 70 10.642 -3.993 -11.215 595 2HZ LYS 70 2HZ LYS 70 9.457 -4.452 -12.343 596 3HZ LYS 70 3HZ LYS 70 9.036 -4.209 -10.714 597 H SER 71 H SER 71 4.948 0.086 -7.755 598 HA SER 71 HA SER 71 4.910 -2.066 -6.005 599 1HB SER 71 1HB SER 71 7.644 -0.953 -6.500 600 2HB SER 71 2HB SER 71 7.218 -1.462 -4.868 601 HG SER 71 HG SER 71 7.028 -3.494 -5.536 602 H VAL 72 H VAL 72 5.817 -1.115 -3.667 603 HA VAL 72 HA VAL 72 5.045 1.699 -3.358 604 HB VAL 72 HB VAL 72 3.687 -0.411 -1.679 605 1HG1 VAL 72 1HG1 VAL 72 2.224 1.403 -1.066 606 2HG1 VAL 72 2HG1 VAL 72 2.911 2.448 -2.308 607 3HG1 VAL 72 3HG1 VAL 72 3.879 1.991 -0.907 608 1HG2 VAL 72 1HG2 VAL 72 1.669 0.012 -3.117 609 2HG2 VAL 72 2HG2 VAL 72 2.965 -0.835 -3.960 610 3HG2 VAL 72 3HG2 VAL 72 2.709 0.887 -4.241 611 H ASN 73 H ASN 73 5.903 2.667 -1.541 612 HA ASN 73 HA ASN 73 7.199 1.078 0.508 613 1HB ASN 73 1HB ASN 73 8.799 1.087 -1.462 614 2HB ASN 73 2HB ASN 73 8.966 2.822 -1.203 615 1HD2 ASN 73 1HD2 ASN 73 10.403 -0.087 -0.412 616 2HD2 ASN 73 2HD2 ASN 73 11.154 0.369 1.041 617 H PHE 74 H PHE 74 8.076 2.306 2.219 618 HA PHE 74 HA PHE 74 7.383 5.175 2.289 619 1HB PHE 74 1HB PHE 74 6.900 3.935 4.861 620 2HB PHE 74 2HB PHE 74 5.803 4.901 3.874 621 HD1 PHE 74 HD1 PHE 74 3.838 3.851 3.191 622 HD2 PHE 74 HD2 PHE 74 7.373 1.487 3.792 623 HE1 PHE 74 HE1 PHE 74 2.564 1.802 2.620 624 HE2 PHE 74 HE2 PHE 74 6.100 -0.562 3.220 625 HZ PHE 74 HZ PHE 74 3.695 -0.405 2.634 626 H VAL 75 H VAL 75 8.682 6.404 3.668 627 HA VAL 75 HA VAL 75 10.837 5.048 5.126 628 HB VAL 75 HB VAL 75 12.570 6.373 4.043 629 1HG1 VAL 75 1HG1 VAL 75 11.808 4.151 3.082 630 2HG1 VAL 75 2HG1 VAL 75 12.619 5.217 1.935 631 3HG1 VAL 75 3HG1 VAL 75 10.861 5.068 1.911 632 1HG2 VAL 75 1HG2 VAL 75 11.914 7.651 1.944 633 2HG2 VAL 75 2HG2 VAL 75 11.348 8.369 3.453 634 3HG2 VAL 75 3HG2 VAL 75 10.233 7.451 2.440 635 H ASN 76 H ASN 76 12.325 7.564 5.364 636 HA ASN 76 HA ASN 76 10.449 8.982 7.165 637 1HB ASN 76 1HB ASN 76 12.232 7.962 8.414 638 2HB ASN 76 2HB ASN 76 13.443 8.676 7.361 639 1HD2 ASN 76 1HD2 ASN 76 10.841 9.569 9.669 640 2HD2 ASN 76 2HD2 ASN 76 11.556 11.037 10.133 641 H GLU 77 H GLU 77 11.188 11.220 7.624 642 HA GLU 77 HA GLU 77 10.700 12.935 5.626 643 1HB GLU 77 1HB GLU 77 12.624 13.330 7.920 644 2HB GLU 77 2HB GLU 77 12.084 14.640 6.869 645 1HG GLU 77 1HG GLU 77 10.178 12.821 8.359 646 2HG GLU 77 2HG GLU 77 10.740 14.363 9.001 647 H GLN 78 H GLN 78 14.100 12.662 6.665 648 HA GLN 78 HA GLN 78 15.231 13.839 4.444 649 1HB GLN 78 1HB GLN 78 16.381 11.615 6.147 650 2HB GLN 78 2HB GLN 78 17.311 12.638 5.053 651 1HG GLN 78 1HG GLN 78 16.491 14.640 6.328 652 2HG GLN 78 2HG GLN 78 15.744 13.539 7.485 653 1HE2 GLN 78 1HE2 GLN 78 17.543 11.650 8.077 654 2HE2 GLN 78 2HE2 GLN 78 19.030 12.300 8.575 655 H ASP 79 H ASP 79 14.754 10.342 4.960 656 HA ASP 79 HA ASP 79 15.801 9.425 2.562 657 1HB ASP 79 1HB ASP 79 13.514 8.421 4.247 658 2HB ASP 79 2HB ASP 79 14.059 7.565 2.804 659 H PHE 80 H PHE 80 12.298 9.961 3.148 660 HA PHE 80 HA PHE 80 11.329 9.721 0.610 661 1HB PHE 80 1HB PHE 80 9.783 10.144 2.353 662 2HB PHE 80 2HB PHE 80 10.600 11.629 2.831 663 HD1 PHE 80 HD1 PHE 80 8.907 10.105 -0.156 664 HD2 PHE 80 HD2 PHE 80 9.731 13.671 2.094 665 HE1 PHE 80 HE1 PHE 80 7.420 11.399 -1.657 666 HE2 PHE 80 HE2 PHE 80 8.243 14.961 0.593 667 HZ PHE 80 HZ PHE 80 7.089 13.829 -1.284 668 H PHE 81 H PHE 81 12.868 12.581 2.043 669 HA PHE 81 HA PHE 81 12.585 14.350 -0.106 670 1HB PHE 81 1HB PHE 81 14.138 14.202 2.342 671 2HB PHE 81 2HB PHE 81 15.095 14.901 1.037 672 HD1 PHE 81 HD1 PHE 81 12.831 15.670 3.596 673 HD2 PHE 81 HD2 PHE 81 13.686 16.610 -0.508 674 HE1 PHE 81 HE1 PHE 81 11.597 17.808 3.828 675 HE2 PHE 81 HE2 PHE 81 12.453 18.747 -0.275 676 HZ PHE 81 HZ PHE 81 11.408 19.347 1.892 677 H PHE 82 H PHE 82 15.575 12.601 0.744 678 HA PHE 82 HA PHE 82 17.185 12.956 -1.335 679 1HB PHE 82 1HB PHE 82 17.590 11.328 0.504 680 2HB PHE 82 2HB PHE 82 16.520 10.188 -0.311 681 HD1 PHE 82 HD1 PHE 82 19.587 12.261 -0.870 682 HD2 PHE 82 HD2 PHE 82 17.357 8.763 -1.982 683 HE1 PHE 82 HE1 PHE 82 21.464 11.521 -2.313 684 HE2 PHE 82 HE2 PHE 82 19.234 8.024 -3.424 685 HZ PHE 82 HZ PHE 82 21.288 9.403 -3.589 686 H ASN 83 H ASN 83 14.231 11.030 -1.473 687 HA ASN 83 HA ASN 83 14.714 10.152 -4.188 688 1HB ASN 83 1HB ASN 83 13.427 8.748 -2.650 689 2HB ASN 83 2HB ASN 83 12.223 10.022 -2.472 690 1HD2 ASN 83 1HD2 ASN 83 13.760 7.999 -5.033 691 2HD2 ASN 83 2HD2 ASN 83 12.374 7.935 -6.012 692 H LEU 84 H LEU 84 12.323 12.340 -2.665 693 HA LEU 84 HA LEU 84 11.360 13.292 -5.190 694 1HB LEU 84 1HB LEU 84 9.748 14.307 -3.947 695 2HB LEU 84 2HB LEU 84 10.395 13.340 -2.628 696 HG LEU 84 HG LEU 84 12.042 15.327 -2.259 697 1HD1 LEU 84 1HD1 LEU 84 10.181 17.339 -3.042 698 2HD1 LEU 84 2HD1 LEU 84 10.464 16.330 -4.459 699 3HD1 LEU 84 3HD1 LEU 84 11.821 17.098 -3.638 700 1HD2 LEU 84 1HD2 LEU 84 9.092 15.306 -1.629 701 2HD2 LEU 84 2HD2 LEU 84 10.142 16.584 -1.017 702 3HD2 LEU 84 3HD2 LEU 84 10.448 14.906 -0.576 703 H ALA 85 H ALA 85 14.085 13.967 -3.289 704 HA ALA 85 HA ALA 85 14.462 16.703 -4.006 705 1HB ALA 85 1HB ALA 85 15.632 15.931 -2.083 706 2HB ALA 85 2HB ALA 85 16.864 16.211 -3.314 707 3HB ALA 85 3HB ALA 85 16.325 14.569 -2.965 708 H LYS 86 H LYS 86 14.475 13.955 -5.869 709 HA LYS 86 HA LYS 86 16.034 15.283 -7.961 710 1HB LYS 86 1HB LYS 86 17.450 13.560 -6.694 711 2HB LYS 86 2HB LYS 86 16.387 12.342 -7.400 712 1HG LYS 86 1HG LYS 86 16.914 13.167 -9.655 713 2HG LYS 86 2HG LYS 86 17.969 14.399 -8.965 714 1HD LYS 86 1HD LYS 86 19.246 12.480 -7.851 715 2HD LYS 86 2HD LYS 86 18.339 11.399 -8.909 716 1HE LYS 86 1HE LYS 86 20.253 13.597 -9.717 717 2HE LYS 86 2HE LYS 86 20.390 11.870 -10.048 718 1HZ LYS 86 1HZ LYS 86 18.746 13.887 -11.354 719 2HZ LYS 86 2HZ LYS 86 18.041 12.355 -11.149 720 3HZ LYS 86 3HZ LYS 86 19.501 12.515 -12.003 721 H LEU 87 H LEU 87 13.880 15.688 -8.741 722 HA LEU 87 HA LEU 87 12.210 13.462 -9.535 723 1HB LEU 87 1HB LEU 87 11.904 16.319 -10.456 724 2HB LEU 87 2HB LEU 87 10.664 15.080 -10.317 725 HG LEU 87 HG LEU 87 10.320 16.479 -8.439 726 1HD1 LEU 87 1HD1 LEU 87 12.106 14.335 -7.284 727 2HD1 LEU 87 2HD1 LEU 87 10.547 13.953 -8.015 728 3HD1 LEU 87 3HD1 LEU 87 10.624 15.010 -6.607 729 1HD2 LEU 87 1HD2 LEU 87 12.849 17.359 -8.754 730 2HD2 LEU 87 2HD2 LEU 87 13.110 16.279 -7.387 731 3HD2 LEU 87 3HD2 LEU 87 11.949 17.596 -7.259 732 H GLU 88 H GLU 88 14.926 14.998 -10.795 733 HA GLU 88 HA GLU 88 14.634 15.266 -13.483 734 1HB GLU 88 1HB GLU 88 16.918 13.868 -12.071 735 2HB GLU 88 2HB GLU 88 16.977 14.508 -13.714 736 1HG GLU 88 1HG GLU 88 16.397 16.765 -12.798 737 2HG GLU 88 2HG GLU 88 16.511 16.093 -11.174 738 H GLU 89 H GLU 89 16.441 12.381 -12.917 739 HA GLU 89 HA GLU 89 16.281 10.268 -13.801 740 1HB GLU 89 1HB GLU 89 13.298 10.660 -13.486 741 2HB GLU 89 2HB GLU 89 14.177 9.131 -13.533 742 1HG GLU 89 1HG GLU 89 14.502 11.274 -11.413 743 2HG GLU 89 2HG GLU 89 13.606 9.769 -11.212 744 H ASN 90 H ASN 90 15.308 12.938 -15.394 745 HA ASN 90 HA ASN 90 14.565 13.419 -17.533 746 1HB ASN 90 1HB ASN 90 16.959 12.420 -17.677 747 2HB ASN 90 2HB ASN 90 16.160 11.002 -18.354 748 1HD2 ASN 90 1HD2 ASN 90 14.173 13.459 -19.278 749 2HD2 ASN 90 2HD2 ASN 90 14.875 13.860 -20.770 750 H SER 91 H SER 91 14.234 11.715 -19.757 751 HA SER 91 HA SER 91 12.730 9.438 -19.495 752 1HB SER 91 1HB SER 91 11.006 10.263 -18.206 753 2HB SER 91 2HB SER 91 11.181 11.899 -18.832 754 HG SER 91 HG SER 91 9.504 9.994 -19.613 755 H ARG 92 H ARG 92 13.709 12.190 -21.138 756 HA ARG 92 HA ARG 92 13.683 11.081 -23.676 757 1HB ARG 92 1HB ARG 92 11.059 11.989 -22.884 758 2HB ARG 92 2HB ARG 92 11.639 12.971 -24.225 759 1HG ARG 92 1HG ARG 92 12.013 11.030 -25.595 760 2HG ARG 92 2HG ARG 92 11.734 9.944 -24.234 761 1HD ARG 92 1HD ARG 92 9.775 10.190 -25.824 762 2HD ARG 92 2HD ARG 92 9.411 10.524 -24.133 763 HE ARG 92 HE ARG 92 10.138 12.948 -25.353 764 1HH1 ARG 92 1HH1 ARG 92 7.676 10.519 -25.489 765 2HH1 ARG 92 2HH1 ARG 92 6.434 11.610 -26.006 766 1HH2 ARG 92 1HH2 ARG 92 8.515 14.386 -26.027 767 2HH2 ARG 92 2HH2 ARG 92 6.909 13.801 -26.310 768 H ASP 93 H ASP 93 15.368 12.156 -24.454 769 HA ASP 93 HA ASP 93 16.884 13.857 -24.826 770 1HB ASP 93 1HB ASP 93 14.879 14.287 -26.384 771 2HB ASP 93 2HB ASP 93 14.452 15.581 -25.265 772 H THR 94 H THR 94 15.920 16.739 -24.462 773 HA THR 94 HA THR 94 17.213 17.335 -22.080 774 HB THR 94 HB THR 94 16.685 19.011 -23.811 775 HG1 THR 94 HG1 THR 94 16.765 20.446 -22.298 776 1HG2 THR 94 1HG2 THR 94 13.862 18.947 -22.731 777 2HG2 THR 94 2HG2 THR 94 14.345 18.095 -24.197 778 3HG2 THR 94 3HG2 THR 94 14.465 19.853 -24.119 779 H LEU 95 H LEU 95 15.851 18.747 -20.350 780 HA LEU 95 HA LEU 95 14.135 16.783 -19.039 781 1HB LEU 95 1HB LEU 95 14.986 19.496 -18.004 782 2HB LEU 95 2HB LEU 95 14.366 18.138 -17.072 783 HG LEU 95 HG LEU 95 16.736 18.136 -16.753 784 1HD1 LEU 95 1HD1 LEU 95 17.312 15.961 -17.483 785 2HD1 LEU 95 2HD1 LEU 95 16.347 16.106 -18.952 786 3HD1 LEU 95 3HD1 LEU 95 15.551 15.939 -17.387 787 1HD2 LEU 95 1HD2 LEU 95 18.297 18.688 -18.333 788 2HD2 LEU 95 2HD2 LEU 95 16.925 19.456 -19.128 789 3HD2 LEU 95 3HD2 LEU 95 17.447 17.848 -19.627 790 H TYR 96 H TYR 96 12.477 18.370 -17.545 791 HA TYR 96 HA TYR 96 10.584 19.307 -19.590 792 1HB TYR 96 1HB TYR 96 10.355 17.892 -17.083 793 2HB TYR 96 2HB TYR 96 9.381 19.360 -17.025 794 HD1 TYR 96 HD1 TYR 96 7.514 19.702 -18.563 795 HD2 TYR 96 HD2 TYR 96 9.897 16.131 -18.722 796 HE1 TYR 96 HE1 TYR 96 5.800 18.621 -19.993 797 HE2 TYR 96 HE2 TYR 96 8.183 15.051 -20.153 798 HH TYR 96 HH TYR 96 6.216 16.237 -21.875 799 H GLN 97 H GLN 97 12.990 20.796 -18.404 800 HA GLN 97 HA GLN 97 11.657 23.351 -18.202 801 1HB GLN 97 1HB GLN 97 12.939 23.796 -15.968 802 2HB GLN 97 2HB GLN 97 11.395 22.945 -15.918 803 1HG GLN 97 1HG GLN 97 12.451 20.824 -15.689 804 2HG GLN 97 2HG GLN 97 14.027 21.478 -16.133 805 1HE2 GLN 97 1HE2 GLN 97 14.122 20.155 -13.787 806 2HE2 GLN 97 2HE2 GLN 97 14.115 21.210 -12.458 807 H ASN 98 H ASN 98 12.883 24.066 -19.904 808 HA ASN 98 HA ASN 98 15.546 24.942 -19.323 809 1HB ASN 98 1HB ASN 98 16.000 22.569 -19.872 810 2HB ASN 98 2HB ASN 98 15.235 22.803 -21.443 811 1HD2 ASN 98 1HD2 ASN 98 17.858 24.264 -19.433 812 2HD2 ASN 98 2HD2 ASN 98 18.864 24.615 -20.755 813 H SER 99 H SER 99 16.524 26.044 -21.265 814 HA SER 99 HA SER 99 14.788 26.713 -23.463 815 1HB SER 99 1HB SER 99 14.586 29.105 -22.927 816 2HB SER 99 2HB SER 99 13.792 28.113 -21.707 817 HG SER 99 HG SER 99 15.829 29.846 -21.441 818 H GLY 100 H GLY 100 17.510 25.718 -22.949 819 1HA GLY 100 1HA GLY 100 19.507 25.908 -24.113 820 2HA GLY 100 2HA GLY 100 18.895 27.385 -24.851 Start of MODEL 16 1 H MET 1 H MET 1 -12.447 14.114 -3.142 2 HA MET 1 HA MET 1 -11.917 14.487 -5.891 3 1HB MET 1 1HB MET 1 -9.566 13.642 -4.168 4 2HB MET 1 2HB MET 1 -9.621 13.610 -5.932 5 1HG MET 1 1HG MET 1 -10.118 16.105 -5.842 6 2HG MET 1 2HG MET 1 -9.714 16.036 -4.127 7 1HE MET 1 1HE MET 1 -8.146 18.044 -5.639 8 2HE MET 1 2HE MET 1 -6.498 17.669 -5.142 9 3HE MET 1 3HE MET 1 -7.814 17.529 -3.979 10 H GLU 2 H GLU 2 -12.097 12.472 -6.905 11 HA GLU 2 HA GLU 2 -13.242 10.377 -5.237 12 1HB GLU 2 1HB GLU 2 -12.963 10.699 -8.230 13 2HB GLU 2 2HB GLU 2 -13.687 9.286 -7.462 14 1HG GLU 2 1HG GLU 2 -14.629 12.111 -6.928 15 2HG GLU 2 2HG GLU 2 -15.333 11.084 -8.177 16 H GLN 3 H GLN 3 -10.502 10.805 -7.451 17 HA GLN 3 HA GLN 3 -9.457 8.288 -7.608 18 1HB GLN 3 1HB GLN 3 -8.538 10.506 -8.542 19 2HB GLN 3 2HB GLN 3 -7.682 10.649 -7.008 20 1HG GLN 3 1HG GLN 3 -7.501 8.224 -8.818 21 2HG GLN 3 2HG GLN 3 -6.338 9.546 -8.830 22 1HE2 GLN 3 1HE2 GLN 3 -6.166 6.581 -7.908 23 2HE2 GLN 3 2HE2 GLN 3 -5.482 6.695 -6.359 24 H PHE 4 H PHE 4 -8.019 10.529 -5.258 25 HA PHE 4 HA PHE 4 -6.773 8.719 -3.623 26 1HB PHE 4 1HB PHE 4 -7.197 11.406 -3.507 27 2HB PHE 4 2HB PHE 4 -8.209 10.869 -2.169 28 HD1 PHE 4 HD1 PHE 4 -4.770 10.575 -3.598 29 HD2 PHE 4 HD2 PHE 4 -7.243 10.240 -0.102 30 HE1 PHE 4 HE1 PHE 4 -2.746 10.276 -2.197 31 HE2 PHE 4 HE2 PHE 4 -5.219 9.940 1.300 32 HZ PHE 4 HZ PHE 4 -2.971 9.959 0.252 33 H ASN 5 H ASN 5 -10.105 9.885 -3.289 34 HA ASN 5 HA ASN 5 -10.840 8.291 -1.101 35 1HB ASN 5 1HB ASN 5 -12.113 10.247 -2.139 36 2HB ASN 5 2HB ASN 5 -12.715 9.088 -3.324 37 1HD2 ASN 5 1HD2 ASN 5 -14.784 9.997 -1.992 38 2HD2 ASN 5 2HD2 ASN 5 -15.268 8.995 -0.711 39 H ALA 6 H ALA 6 -10.462 7.505 -4.475 40 HA ALA 6 HA ALA 6 -11.999 5.045 -4.289 41 1HB ALA 6 1HB ALA 6 -10.107 5.795 -6.508 42 2HB ALA 6 2HB ALA 6 -11.717 6.503 -6.381 43 3HB ALA 6 3HB ALA 6 -11.532 4.762 -6.585 44 H PHE 7 H PHE 7 -8.579 5.731 -5.094 45 HA PHE 7 HA PHE 7 -7.663 3.102 -4.795 46 1HB PHE 7 1HB PHE 7 -5.924 4.240 -5.697 47 2HB PHE 7 2HB PHE 7 -6.464 5.770 -5.016 48 HD1 PHE 7 HD1 PHE 7 -5.310 6.725 -3.204 49 HD2 PHE 7 HD2 PHE 7 -4.818 2.544 -4.062 50 HE1 PHE 7 HE1 PHE 7 -3.535 6.579 -1.477 51 HE2 PHE 7 HE2 PHE 7 -3.043 2.399 -2.335 52 HZ PHE 7 HZ PHE 7 -2.402 4.416 -1.044 53 H LYS 8 H LYS 8 -7.770 5.766 -2.443 54 HA LYS 8 HA LYS 8 -6.642 4.369 -0.275 55 1HB LYS 8 1HB LYS 8 -7.044 6.869 -0.465 56 2HB LYS 8 2HB LYS 8 -8.726 6.539 -0.050 57 1HG LYS 8 1HG LYS 8 -8.042 5.496 2.050 58 2HG LYS 8 2HG LYS 8 -6.343 5.704 1.630 59 1HD LYS 8 1HD LYS 8 -6.917 7.508 3.116 60 2HD LYS 8 2HD LYS 8 -6.782 8.197 1.500 61 1HE LYS 8 1HE LYS 8 -9.110 8.413 1.258 62 2HE LYS 8 2HE LYS 8 -9.448 7.230 2.521 63 1HZ LYS 8 1HZ LYS 8 -9.826 9.549 3.218 64 2HZ LYS 8 2HZ LYS 8 -8.174 9.869 2.993 65 3HZ LYS 8 3HZ LYS 8 -8.672 8.752 4.173 66 H SER 9 H SER 9 -10.081 4.876 -1.165 67 HA SER 9 HA SER 9 -11.127 3.522 1.024 68 1HB SER 9 1HB SER 9 -12.655 4.766 -0.343 69 2HB SER 9 2HB SER 9 -12.217 3.849 -1.783 70 HG SER 9 HG SER 9 -14.207 3.336 -0.294 71 H LEU 10 H LEU 10 -9.407 2.344 -1.700 72 HA LEU 10 HA LEU 10 -10.417 -0.324 -1.719 73 1HB LEU 10 1HB LEU 10 -8.862 1.033 -3.428 74 2HB LEU 10 2HB LEU 10 -7.588 0.242 -2.504 75 HG LEU 10 HG LEU 10 -9.878 -1.104 -3.969 76 1HD1 LEU 10 1HD1 LEU 10 -7.941 -2.199 -5.165 77 2HD1 LEU 10 2HD1 LEU 10 -6.869 -1.075 -4.330 78 3HD1 LEU 10 3HD1 LEU 10 -8.082 -0.465 -5.455 79 1HD2 LEU 10 1HD2 LEU 10 -7.859 -2.147 -1.980 80 2HD2 LEU 10 2HD2 LEU 10 -8.540 -3.205 -3.217 81 3HD2 LEU 10 3HD2 LEU 10 -9.599 -2.436 -2.036 82 H LEU 11 H LEU 11 -7.828 1.375 -0.010 83 HA LEU 11 HA LEU 11 -6.625 -0.892 1.184 84 1HB LEU 11 1HB LEU 11 -6.706 2.041 1.835 85 2HB LEU 11 2HB LEU 11 -6.049 0.917 3.022 86 HG LEU 11 HG LEU 11 -5.107 0.706 0.180 87 1HD1 LEU 11 1HD1 LEU 11 -3.288 2.355 0.768 88 2HD1 LEU 11 2HD1 LEU 11 -4.236 2.806 2.186 89 3HD1 LEU 11 3HD1 LEU 11 -4.883 3.080 0.568 90 1HD2 LEU 11 1HD2 LEU 11 -3.681 0.425 2.846 91 2HD2 LEU 11 2HD2 LEU 11 -3.074 -0.072 1.267 92 3HD2 LEU 11 3HD2 LEU 11 -4.444 -0.915 1.989 93 H LYS 12 H LYS 12 -9.212 1.299 2.290 94 HA LYS 12 HA LYS 12 -9.787 0.387 4.798 95 1HB LYS 12 1HB LYS 12 -11.365 1.463 2.590 96 2HB LYS 12 2HB LYS 12 -12.307 0.401 3.635 97 1HG LYS 12 1HG LYS 12 -10.508 2.494 4.842 98 2HG LYS 12 2HG LYS 12 -12.102 2.928 4.251 99 1HD LYS 12 1HD LYS 12 -13.136 1.232 5.693 100 2HD LYS 12 2HD LYS 12 -11.542 0.751 6.276 101 1HE LYS 12 1HE LYS 12 -12.583 2.279 7.881 102 2HE LYS 12 2HE LYS 12 -11.184 3.053 7.136 103 1HZ LYS 12 1HZ LYS 12 -13.253 3.659 5.469 104 2HZ LYS 12 2HZ LYS 12 -12.567 4.697 6.626 105 3HZ LYS 12 3HZ LYS 12 -13.946 3.785 7.013 106 H LYS 13 H LYS 13 -11.023 -1.174 1.832 107 HA LYS 13 HA LYS 13 -12.222 -3.425 2.929 108 1HB LYS 13 1HB LYS 13 -10.763 -2.917 0.355 109 2HB LYS 13 2HB LYS 13 -11.325 -4.541 0.740 110 1HG LYS 13 1HG LYS 13 -13.236 -2.246 1.054 111 2HG LYS 13 2HG LYS 13 -12.894 -2.845 -0.569 112 1HD LYS 13 1HD LYS 13 -13.734 -4.997 -0.087 113 2HD LYS 13 2HD LYS 13 -13.635 -4.744 1.654 114 1HE LYS 13 1HE LYS 13 -15.974 -4.597 0.551 115 2HE LYS 13 2HE LYS 13 -15.517 -3.318 1.675 116 1HZ LYS 13 1HZ LYS 13 -14.933 -3.039 -1.198 117 2HZ LYS 13 2HZ LYS 13 -15.149 -1.829 -0.025 118 3HZ LYS 13 3HZ LYS 13 -16.488 -2.695 -0.613 119 H HIS 14 H HIS 14 -8.831 -2.851 2.151 120 HA HIS 14 HA HIS 14 -7.852 -5.432 2.890 121 1HB HIS 14 1HB HIS 14 -6.747 -3.658 1.402 122 2HB HIS 14 2HB HIS 14 -6.243 -2.890 2.906 123 HD1 HIS 14 HD1 HIS 14 -6.453 -6.632 2.400 124 HD2 HIS 14 HD2 HIS 14 -3.543 -3.676 2.819 125 HE1 HIS 14 HE1 HIS 14 -4.239 -7.836 2.656 126 HE2 HIS 14 HE2 HIS 14 -2.456 -6.048 2.911 127 H TYR 15 H TYR 15 -7.298 -2.278 4.487 128 HA TYR 15 HA TYR 15 -6.619 -3.605 6.972 129 1HB TYR 15 1HB TYR 15 -6.548 -0.799 5.919 130 2HB TYR 15 2HB TYR 15 -6.490 -1.058 7.660 131 HD1 TYR 15 HD1 TYR 15 -5.081 -3.401 5.130 132 HD2 TYR 15 HD2 TYR 15 -4.230 -0.353 8.039 133 HE1 TYR 15 HE1 TYR 15 -2.667 -3.935 4.986 134 HE2 TYR 15 HE2 TYR 15 -1.816 -0.890 7.892 135 HH TYR 15 HH TYR 15 -0.496 -2.762 5.421 136 H GLU 16 H GLU 16 -9.420 -3.697 5.874 137 HA GLU 16 HA GLU 16 -11.183 -2.031 7.211 138 1HB GLU 16 1HB GLU 16 -11.631 -3.939 5.501 139 2HB GLU 16 2HB GLU 16 -11.746 -4.974 6.923 140 1HG GLU 16 1HG GLU 16 -13.353 -2.437 6.507 141 2HG GLU 16 2HG GLU 16 -13.959 -4.067 6.221 142 H LYS 17 H LYS 17 -9.811 -5.120 8.338 143 HA LYS 17 HA LYS 17 -10.890 -4.635 11.023 144 1HB LYS 17 1HB LYS 17 -9.294 -7.022 10.089 145 2HB LYS 17 2HB LYS 17 -10.364 -6.910 11.488 146 1HG LYS 17 1HG LYS 17 -12.287 -6.534 9.958 147 2HG LYS 17 2HG LYS 17 -11.207 -6.735 8.579 148 1HD LYS 17 1HD LYS 17 -11.654 -8.828 10.729 149 2HD LYS 17 2HD LYS 17 -12.446 -8.830 9.153 150 1HE LYS 17 1HE LYS 17 -9.972 -8.656 8.244 151 2HE LYS 17 2HE LYS 17 -9.562 -9.324 9.823 152 1HZ LYS 17 1HZ LYS 17 -11.755 -10.722 8.735 153 2HZ LYS 17 2HZ LYS 17 -10.217 -11.311 9.153 154 3HZ LYS 17 3HZ LYS 17 -10.498 -10.689 7.597 155 H THR 18 H THR 18 -8.024 -4.177 9.245 156 HA THR 18 HA THR 18 -6.378 -4.091 11.698 157 HB THR 18 HB THR 18 -5.286 -3.837 8.907 158 HG1 THR 18 HG1 THR 18 -6.337 -5.708 8.701 159 1HG2 THR 18 1HG2 THR 18 -3.920 -3.456 11.031 160 2HG2 THR 18 2HG2 THR 18 -3.281 -4.660 9.914 161 3HG2 THR 18 3HG2 THR 18 -4.139 -5.172 11.366 162 H ILE 19 H ILE 19 -8.332 -2.046 11.060 163 HA ILE 19 HA ILE 19 -6.950 0.227 9.961 164 HB ILE 19 HB ILE 19 -9.385 0.072 9.812 165 1HG1 ILE 19 1HG1 ILE 19 -8.654 2.296 11.736 166 2HG1 ILE 19 2HG1 ILE 19 -8.193 2.307 10.033 167 1HG2 ILE 19 1HG2 ILE 19 -9.587 0.534 12.780 168 2HG2 ILE 19 2HG2 ILE 19 -9.469 -1.110 12.151 169 3HG2 ILE 19 3HG2 ILE 19 -10.810 -0.074 11.666 170 1HD1 ILE 19 1HD1 ILE 19 -11.043 2.064 11.042 171 2HD1 ILE 19 2HD1 ILE 19 -10.537 2.195 9.357 172 3HD1 ILE 19 3HD1 ILE 19 -10.310 3.558 10.455 173 H GLY 20 H GLY 20 -8.080 -0.585 13.261 174 1HA GLY 20 1HA GLY 20 -7.272 1.403 14.819 175 2HA GLY 20 2HA GLY 20 -6.910 -0.259 15.270 176 H PHE 21 H PHE 21 -5.000 -0.895 13.341 177 HA PHE 21 HA PHE 21 -2.629 0.117 14.479 178 1HB PHE 21 1HB PHE 21 -2.470 -1.964 13.339 179 2HB PHE 21 2HB PHE 21 -3.205 -1.309 11.877 180 HD1 PHE 21 HD1 PHE 21 -1.864 -0.368 10.169 181 HD2 PHE 21 HD2 PHE 21 -0.196 -1.020 14.074 182 HE1 PHE 21 HE1 PHE 21 0.389 0.217 9.305 183 HE2 PHE 21 HE2 PHE 21 2.054 -0.434 13.211 184 HZ PHE 21 HZ PHE 21 2.345 0.183 10.828 185 H HIS 22 H HIS 22 -4.216 0.851 11.394 186 HA HIS 22 HA HIS 22 -2.457 2.869 10.535 187 1HB HIS 22 1HB HIS 22 -4.127 1.797 9.062 188 2HB HIS 22 2HB HIS 22 -5.422 2.554 9.988 189 HD1 HIS 22 HD1 HIS 22 -5.346 5.272 10.034 190 HD2 HIS 22 HD2 HIS 22 -3.120 3.416 7.037 191 HE1 HIS 22 HE1 HIS 22 -4.856 7.051 8.302 192 HE2 HIS 22 HE2 HIS 22 -3.497 5.937 6.467 193 H ASP 23 H ASP 23 -5.648 3.210 12.128 194 HA ASP 23 HA ASP 23 -5.641 5.963 12.425 195 1HB ASP 23 1HB ASP 23 -7.459 4.183 12.991 196 2HB ASP 23 2HB ASP 23 -6.718 4.178 14.590 197 H LYS 24 H LYS 24 -3.564 3.703 13.892 198 HA LYS 24 HA LYS 24 -2.923 5.503 16.134 199 1HB LYS 24 1HB LYS 24 -3.294 2.863 16.243 200 2HB LYS 24 2HB LYS 24 -1.590 2.853 15.796 201 1HG LYS 24 1HG LYS 24 -2.798 4.314 18.165 202 2HG LYS 24 2HG LYS 24 -1.828 2.843 18.241 203 1HD LYS 24 1HD LYS 24 -0.004 4.186 17.018 204 2HD LYS 24 2HD LYS 24 -0.951 5.617 17.428 205 1HE LYS 24 1HE LYS 24 0.471 3.704 19.260 206 2HE LYS 24 2HE LYS 24 0.504 5.467 19.253 207 1HZ LYS 24 1HZ LYS 24 -1.563 3.653 20.290 208 2HZ LYS 24 2HZ LYS 24 -2.002 5.210 19.771 209 3HZ LYS 24 3HZ LYS 24 -0.868 5.016 21.021 210 H TYR 25 H TYR 25 -0.922 3.420 14.015 211 HA TYR 25 HA TYR 25 1.362 5.039 14.410 212 1HB TYR 25 1HB TYR 25 0.676 2.843 12.469 213 2HB TYR 25 2HB TYR 25 2.218 3.698 12.382 214 HD1 TYR 25 HD1 TYR 25 0.113 1.450 14.412 215 HD2 TYR 25 HD2 TYR 25 3.881 3.494 14.147 216 HE1 TYR 25 HE1 TYR 25 0.996 0.062 16.269 217 HE2 TYR 25 HE2 TYR 25 4.764 2.109 16.003 218 HH TYR 25 HH TYR 25 3.323 0.716 18.106 219 H ILE 26 H ILE 26 -0.240 4.395 11.304 220 HA ILE 26 HA ILE 26 0.856 6.660 10.013 221 HB ILE 26 HB ILE 26 -1.541 4.946 9.326 222 1HG1 ILE 26 1HG1 ILE 26 1.112 4.915 7.913 223 2HG1 ILE 26 2HG1 ILE 26 0.983 4.100 9.471 224 1HG2 ILE 26 1HG2 ILE 26 -1.809 7.012 8.142 225 2HG2 ILE 26 2HG2 ILE 26 -1.085 5.883 6.996 226 3HG2 ILE 26 3HG2 ILE 26 -0.085 7.105 7.781 227 1HD1 ILE 26 1HD1 ILE 26 -0.917 2.774 8.628 228 2HD1 ILE 26 2HD1 ILE 26 0.514 2.540 7.624 229 3HD1 ILE 26 3HD1 ILE 26 -0.791 3.585 7.067 230 H LYS 27 H LYS 27 -2.553 6.073 10.927 231 HA LYS 27 HA LYS 27 -4.232 7.522 11.527 232 1HB LYS 27 1HB LYS 27 -2.518 8.052 13.312 233 2HB LYS 27 2HB LYS 27 -2.030 9.428 12.321 234 1HG LYS 27 1HG LYS 27 -4.405 10.223 12.349 235 2HG LYS 27 2HG LYS 27 -4.790 8.914 13.467 236 1HD LYS 27 1HD LYS 27 -3.400 9.814 15.171 237 2HD LYS 27 2HD LYS 27 -2.588 10.901 14.043 238 1HE LYS 27 1HE LYS 27 -5.545 11.080 14.675 239 2HE LYS 27 2HE LYS 27 -4.315 12.014 15.529 240 1HZ LYS 27 1HZ LYS 27 -5.506 12.953 13.409 241 2HZ LYS 27 2HZ LYS 27 -4.304 12.063 12.602 242 3HZ LYS 27 3HZ LYS 27 -3.868 13.276 13.709 243 H ASP 28 H ASP 28 -1.748 9.875 10.517 244 HA ASP 28 HA ASP 28 -3.206 10.476 8.074 245 1HB ASP 28 1HB ASP 28 -4.434 11.767 9.790 246 2HB ASP 28 2HB ASP 28 -2.931 12.568 10.243 247 H ILE 29 H ILE 29 -1.815 11.037 6.537 248 HA ILE 29 HA ILE 29 0.901 11.898 7.333 249 HB ILE 29 HB ILE 29 0.010 10.672 4.715 250 1HG1 ILE 29 1HG1 ILE 29 -0.318 9.031 6.464 251 2HG1 ILE 29 2HG1 ILE 29 1.158 8.617 5.592 252 1HG2 ILE 29 1HG2 ILE 29 2.017 11.684 4.194 253 2HG2 ILE 29 2HG2 ILE 29 2.628 10.165 4.842 254 3HG2 ILE 29 3HG2 ILE 29 2.613 11.608 5.852 255 1HD1 ILE 29 1HD1 ILE 29 1.839 8.434 7.822 256 2HD1 ILE 29 2HD1 ILE 29 0.855 9.804 8.336 257 3HD1 ILE 29 3HD1 ILE 29 2.337 10.076 7.421 258 H ASN 30 H ASN 30 1.984 13.335 5.674 259 HA ASN 30 HA ASN 30 0.089 15.134 4.312 260 1HB ASN 30 1HB ASN 30 0.641 16.022 6.612 261 2HB ASN 30 2HB ASN 30 2.314 16.166 6.077 262 1HD2 ASN 30 1HD2 ASN 30 -0.988 17.121 4.959 263 2HD2 ASN 30 2HD2 ASN 30 -0.496 18.624 4.343 264 H ARG 31 H ARG 31 2.671 13.193 4.028 265 HA ARG 31 HA ARG 31 3.763 14.758 1.775 266 1HB ARG 31 1HB ARG 31 5.314 13.315 3.925 267 2HB ARG 31 2HB ARG 31 6.021 13.758 2.374 268 1HG ARG 31 1HG ARG 31 4.647 15.767 4.162 269 2HG ARG 31 2HG ARG 31 6.367 15.409 4.295 270 1HD ARG 31 1HD ARG 31 6.801 16.799 2.575 271 2HD ARG 31 2HD ARG 31 5.757 15.850 1.522 272 HE ARG 31 HE ARG 31 4.019 17.391 2.981 273 1HH1 ARG 31 1HH1 ARG 31 6.813 17.959 1.020 274 2HH1 ARG 31 2HH1 ARG 31 6.292 19.522 0.486 275 1HH2 ARG 31 1HH2 ARG 31 3.327 19.441 2.283 276 2HH2 ARG 31 2HH2 ARG 31 4.319 20.361 1.200 277 H PHE 32 H PHE 32 2.627 13.546 0.300 278 HA PHE 32 HA PHE 32 3.730 10.877 -0.225 279 1HB PHE 32 1HB PHE 32 1.437 10.005 -0.707 280 2HB PHE 32 2HB PHE 32 1.683 10.379 1.000 281 HD1 PHE 32 HD1 PHE 32 0.773 12.508 1.957 282 HD2 PHE 32 HD2 PHE 32 -0.152 11.213 -2.032 283 HE1 PHE 32 HE1 PHE 32 -1.142 14.084 1.888 284 HE2 PHE 32 HE2 PHE 32 -2.066 12.788 -2.101 285 HZ PHE 32 HZ PHE 32 -2.561 14.224 -0.140 286 H VAL 33 H VAL 33 4.314 10.782 -2.316 287 HA VAL 33 HA VAL 33 2.818 12.421 -4.270 288 HB VAL 33 HB VAL 33 5.035 12.994 -5.323 289 1HG1 VAL 33 1HG1 VAL 33 4.450 13.945 -2.503 290 2HG1 VAL 33 2HG1 VAL 33 3.829 14.643 -3.998 291 3HG1 VAL 33 3HG1 VAL 33 5.547 14.757 -3.619 292 1HG2 VAL 33 1HG2 VAL 33 7.048 12.704 -4.051 293 2HG2 VAL 33 2HG2 VAL 33 6.240 11.136 -4.051 294 3HG2 VAL 33 3HG2 VAL 33 6.150 12.175 -2.629 295 H PHE 34 H PHE 34 2.652 11.628 -6.296 296 HA PHE 34 HA PHE 34 3.794 8.947 -6.820 297 1HB PHE 34 1HB PHE 34 1.462 8.608 -6.508 298 2HB PHE 34 2HB PHE 34 1.051 10.083 -7.370 299 HD1 PHE 34 HD1 PHE 34 -0.339 9.249 -9.095 300 HD2 PHE 34 HD2 PHE 34 3.524 7.494 -8.433 301 HE1 PHE 34 HE1 PHE 34 -0.549 7.982 -11.215 302 HE2 PHE 34 HE2 PHE 34 3.313 6.225 -10.550 303 HZ PHE 34 HZ PHE 34 1.276 6.468 -11.942 304 H LYS 35 H LYS 35 5.403 10.887 -7.565 305 HA LYS 35 HA LYS 35 4.871 11.336 -10.447 306 1HB LYS 35 1HB LYS 35 6.331 13.102 -8.472 307 2HB LYS 35 2HB LYS 35 6.306 13.369 -10.215 308 1HG LYS 35 1HG LYS 35 3.815 13.461 -10.129 309 2HG LYS 35 2HG LYS 35 3.898 13.312 -8.374 310 1HD LYS 35 1HD LYS 35 5.426 15.365 -8.415 311 2HD LYS 35 2HD LYS 35 4.925 15.574 -10.094 312 1HE LYS 35 1HE LYS 35 3.271 15.779 -7.591 313 2HE LYS 35 2HE LYS 35 3.362 16.893 -8.955 314 1HZ LYS 35 1HZ LYS 35 2.287 15.183 -10.328 315 2HZ LYS 35 2HZ LYS 35 1.306 15.686 -9.036 316 3HZ LYS 35 3HZ LYS 35 2.119 14.197 -8.958 317 H ASN 36 H ASN 36 6.060 9.987 -11.564 318 HA ASN 36 HA ASN 36 8.529 9.894 -12.300 319 1HB ASN 36 1HB ASN 36 9.578 10.099 -10.167 320 2HB ASN 36 2HB ASN 36 8.587 8.816 -9.473 321 1HD2 ASN 36 1HD2 ASN 36 9.897 7.022 -9.131 322 2HD2 ASN 36 2HD2 ASN 36 11.071 6.455 -10.218 323 H ASN 37 H ASN 37 6.788 7.574 -10.271 324 HA ASN 37 HA ASN 37 5.547 6.010 -12.053 325 1HB ASN 37 1HB ASN 37 7.248 4.070 -12.354 326 2HB ASN 37 2HB ASN 37 7.359 5.462 -13.423 327 1HD2 ASN 37 1HD2 ASN 37 8.903 3.825 -10.689 328 2HD2 ASN 37 2HD2 ASN 37 10.349 4.709 -10.751 329 H VAL 38 H VAL 38 7.206 6.385 -9.130 330 HA VAL 38 HA VAL 38 5.888 3.978 -8.010 331 HB VAL 38 HB VAL 38 8.178 5.272 -6.587 332 1HG1 VAL 38 1HG1 VAL 38 8.651 2.848 -6.090 333 2HG1 VAL 38 2HG1 VAL 38 7.197 2.429 -6.994 334 3HG1 VAL 38 3HG1 VAL 38 7.075 3.393 -5.524 335 1HG2 VAL 38 1HG2 VAL 38 9.727 3.784 -7.931 336 2HG2 VAL 38 2HG2 VAL 38 9.089 5.175 -8.807 337 3HG2 VAL 38 3HG2 VAL 38 8.405 3.571 -9.080 338 H LEU 39 H LEU 39 5.737 4.338 -5.475 339 HA LEU 39 HA LEU 39 4.581 7.019 -5.002 340 1HB LEU 39 1HB LEU 39 3.431 4.294 -4.545 341 2HB LEU 39 2HB LEU 39 3.065 5.551 -3.365 342 HG LEU 39 HG LEU 39 2.485 6.999 -5.478 343 1HD1 LEU 39 1HD1 LEU 39 2.378 4.168 -6.538 344 2HD1 LEU 39 2HD1 LEU 39 3.209 5.554 -7.238 345 3HD1 LEU 39 3HD1 LEU 39 1.449 5.484 -7.254 346 1HD2 LEU 39 1HD2 LEU 39 0.855 6.293 -3.783 347 2HD2 LEU 39 2HD2 LEU 39 0.723 4.713 -4.556 348 3HD2 LEU 39 3HD2 LEU 39 0.162 6.158 -5.399 349 H LEU 40 H LEU 40 5.536 8.054 -3.378 350 HA LEU 40 HA LEU 40 6.887 6.446 -1.295 351 1HB LEU 40 1HB LEU 40 8.239 7.961 -2.971 352 2HB LEU 40 2HB LEU 40 7.662 9.281 -1.963 353 HG LEU 40 HG LEU 40 8.860 6.945 -0.531 354 1HD1 LEU 40 1HD1 LEU 40 10.444 7.151 -2.358 355 2HD1 LEU 40 2HD1 LEU 40 11.158 7.887 -0.923 356 3HD1 LEU 40 3HD1 LEU 40 10.474 8.906 -2.189 357 1HD2 LEU 40 1HD2 LEU 40 9.909 8.900 0.731 358 2HD2 LEU 40 2HD2 LEU 40 8.150 8.810 0.805 359 3HD2 LEU 40 3HD2 LEU 40 8.931 9.966 -0.273 360 H ILE 41 H ILE 41 6.589 7.033 0.841 361 HA ILE 41 HA ILE 41 4.911 9.368 1.448 362 HB ILE 41 HB ILE 41 4.143 6.552 2.257 363 1HG1 ILE 41 1HG1 ILE 41 2.944 8.525 0.290 364 2HG1 ILE 41 2HG1 ILE 41 3.602 6.930 -0.073 365 1HG2 ILE 41 1HG2 ILE 41 2.201 7.610 3.289 366 2HG2 ILE 41 2HG2 ILE 41 2.737 9.197 2.737 367 3HG2 ILE 41 3HG2 ILE 41 3.666 8.325 3.956 368 1HD1 ILE 41 1HD1 ILE 41 1.229 6.658 -0.013 369 2HD1 ILE 41 2HD1 ILE 41 1.092 7.585 1.481 370 3HD1 ILE 41 3HD1 ILE 41 1.832 5.983 1.500 371 H LEU 42 H LEU 42 5.229 10.193 3.479 372 HA LEU 42 HA LEU 42 7.614 9.460 4.856 373 1HB LEU 42 1HB LEU 42 5.429 11.458 5.252 374 2HB LEU 42 2HB LEU 42 6.482 11.104 6.616 375 HG LEU 42 HG LEU 42 7.250 13.025 5.168 376 1HD1 LEU 42 1HD1 LEU 42 9.446 12.553 5.612 377 2HD1 LEU 42 2HD1 LEU 42 9.367 10.942 4.905 378 3HD1 LEU 42 3HD1 LEU 42 8.730 11.226 6.524 379 1HD2 LEU 42 1HD2 LEU 42 6.532 11.628 3.044 380 2HD2 LEU 42 2HD2 LEU 42 8.165 10.977 3.170 381 3HD2 LEU 42 3HD2 LEU 42 7.921 12.708 2.962 382 H LEU 43 H LEU 43 7.929 8.382 6.735 383 HA LEU 43 HA LEU 43 5.796 7.597 8.488 384 1HB LEU 43 1HB LEU 43 5.499 5.957 6.639 385 2HB LEU 43 2HB LEU 43 7.160 5.421 6.886 386 HG LEU 43 HG LEU 43 6.431 5.052 9.368 387 1HD1 LEU 43 1HD1 LEU 43 4.277 6.123 9.344 388 2HD1 LEU 43 2HD1 LEU 43 3.981 4.390 9.470 389 3HD1 LEU 43 3HD1 LEU 43 3.770 5.210 7.923 390 1HD2 LEU 43 1HD2 LEU 43 6.901 3.306 7.535 391 2HD2 LEU 43 2HD2 LEU 43 5.153 3.205 7.348 392 3HD2 LEU 43 3HD2 LEU 43 5.902 2.791 8.891 393 H GLU 44 H GLU 44 7.370 8.826 9.755 394 HA GLU 44 HA GLU 44 10.021 8.065 10.208 395 1HB GLU 44 1HB GLU 44 8.177 9.212 12.306 396 2HB GLU 44 2HB GLU 44 9.924 9.416 12.174 397 1HG GLU 44 1HG GLU 44 9.548 10.553 9.959 398 2HG GLU 44 2HG GLU 44 7.817 10.497 10.286 399 H ASN 45 H ASN 45 7.043 7.042 11.858 400 HA ASN 45 HA ASN 45 7.905 5.581 13.958 401 1HB ASN 45 1HB ASN 45 5.811 4.833 11.917 402 2HB ASN 45 2HB ASN 45 6.065 3.922 13.402 403 1HD2 ASN 45 1HD2 ASN 45 6.139 5.481 15.460 404 2HD2 ASN 45 2HD2 ASN 45 4.935 6.677 15.493 405 H GLU 46 H GLU 46 9.832 4.532 13.930 406 HA GLU 46 HA GLU 46 10.895 3.034 11.833 407 1HB GLU 46 1HB GLU 46 12.544 2.401 13.366 408 2HB GLU 46 2HB GLU 46 11.995 3.950 13.980 409 1HG GLU 46 1HG GLU 46 10.358 2.611 15.434 410 2HG GLU 46 2HG GLU 46 11.316 1.193 15.010 411 H PHE 47 H PHE 47 8.573 2.197 14.311 412 HA PHE 47 HA PHE 47 8.800 -0.647 13.984 413 1HB PHE 47 1HB PHE 47 6.350 0.740 15.040 414 2HB PHE 47 2HB PHE 47 7.040 -0.810 15.520 415 HD1 PHE 47 HD1 PHE 47 7.034 2.769 16.080 416 HD2 PHE 47 HD2 PHE 47 9.250 -0.848 16.757 417 HE1 PHE 47 HE1 PHE 47 8.330 3.898 17.868 418 HE2 PHE 47 HE2 PHE 47 10.545 0.281 18.546 419 HZ PHE 47 HZ PHE 47 10.085 2.654 19.102 420 H ALA 48 H ALA 48 5.930 1.371 13.367 421 HA ALA 48 HA ALA 48 4.512 -0.277 11.730 422 1HB ALA 48 1HB ALA 48 3.849 1.927 10.492 423 2HB ALA 48 2HB ALA 48 4.862 2.707 11.707 424 3HB ALA 48 3HB ALA 48 3.464 1.757 12.205 425 H ARG 49 H ARG 49 7.353 1.590 10.880 426 HA ARG 49 HA ARG 49 7.186 1.076 8.061 427 1HB ARG 49 1HB ARG 49 8.434 2.991 9.228 428 2HB ARG 49 2HB ARG 49 9.685 1.802 9.586 429 1HG ARG 49 1HG ARG 49 10.162 1.441 7.300 430 2HG ARG 49 2HG ARG 49 8.654 2.180 6.773 431 1HD ARG 49 1HD ARG 49 9.533 4.272 6.821 432 2HD ARG 49 2HD ARG 49 10.337 3.994 8.364 433 HE ARG 49 HE ARG 49 11.474 3.578 5.713 434 1HH1 ARG 49 1HH1 ARG 49 11.636 3.003 9.123 435 2HH1 ARG 49 2HH1 ARG 49 13.326 2.627 9.119 436 1HH2 ARG 49 1HH2 ARG 49 13.690 3.085 5.701 437 2HH2 ARG 49 2HH2 ARG 49 14.489 2.673 7.181 438 H ASN 50 H ASN 50 8.788 -0.413 10.816 439 HA ASN 50 HA ASN 50 10.550 -2.113 9.546 440 1HB ASN 50 1HB ASN 50 10.326 -1.784 12.008 441 2HB ASN 50 2HB ASN 50 8.891 -2.808 11.973 442 1HD2 ASN 50 1HD2 ASN 50 9.306 -4.982 12.365 443 2HD2 ASN 50 2HD2 ASN 50 10.794 -5.753 12.094 444 H SER 51 H SER 51 7.272 -2.871 10.668 445 HA SER 51 HA SER 51 7.031 -5.390 9.359 446 1HB SER 51 1HB SER 51 5.508 -3.764 11.172 447 2HB SER 51 2HB SER 51 4.460 -4.377 9.895 448 HG SER 51 HG SER 51 5.126 -6.448 10.383 449 H LEU 52 H LEU 52 5.654 -2.166 8.606 450 HA LEU 52 HA LEU 52 4.066 -2.849 6.465 451 1HB LEU 52 1HB LEU 52 5.664 -0.383 7.078 452 2HB LEU 52 2HB LEU 52 4.803 -0.508 5.547 453 HG LEU 52 HG LEU 52 3.481 -0.987 8.234 454 1HD1 LEU 52 1HD1 LEU 52 3.680 1.536 6.568 455 2HD1 LEU 52 2HD1 LEU 52 4.181 1.313 8.245 456 3HD1 LEU 52 3HD1 LEU 52 2.468 1.302 7.829 457 1HD2 LEU 52 1HD2 LEU 52 1.500 -0.239 6.570 458 2HD2 LEU 52 2HD2 LEU 52 2.011 -1.917 6.717 459 3HD2 LEU 52 3HD2 LEU 52 2.597 -0.933 5.377 460 H ASN 53 H ASN 53 7.528 -1.959 6.302 461 HA ASN 53 HA ASN 53 7.676 -2.642 3.513 462 1HB ASN 53 1HB ASN 53 9.141 -0.919 4.539 463 2HB ASN 53 2HB ASN 53 9.928 -2.181 5.484 464 1HD2 ASN 53 1HD2 ASN 53 11.953 -2.483 4.521 465 2HD2 ASN 53 2HD2 ASN 53 12.204 -2.699 2.857 466 H ASP 54 H ASP 54 7.680 -4.477 6.353 467 HA ASP 54 HA ASP 54 9.489 -6.549 5.506 468 1HB ASP 54 1HB ASP 54 8.835 -6.100 7.903 469 2HB ASP 54 2HB ASP 54 7.254 -6.781 7.529 470 H ASN 55 H ASN 55 6.155 -5.764 4.997 471 HA ASN 55 HA ASN 55 5.876 -7.750 2.951 472 1HB ASN 55 1HB ASN 55 5.543 -9.142 4.992 473 2HB ASN 55 2HB ASN 55 4.191 -8.105 5.440 474 1HD2 ASN 55 1HD2 ASN 55 2.610 -9.833 5.184 475 2HD2 ASN 55 2HD2 ASN 55 2.196 -10.433 3.652 476 H SER 56 H SER 56 5.630 -5.235 2.434 477 HA SER 56 HA SER 56 3.017 -4.139 2.956 478 1HB SER 56 1HB SER 56 4.551 -2.433 2.633 479 2HB SER 56 2HB SER 56 5.421 -3.311 1.380 480 HG SER 56 HG SER 56 4.129 -2.486 -0.059 481 H GLU 57 H GLU 57 4.191 -3.943 -0.279 482 HA GLU 57 HA GLU 57 3.439 -4.826 -2.289 483 1HB GLU 57 1HB GLU 57 1.527 -6.604 -0.782 484 2HB GLU 57 2HB GLU 57 2.239 -6.850 -2.374 485 1HG GLU 57 1HG GLU 57 4.499 -6.677 -0.851 486 2HG GLU 57 2HG GLU 57 3.384 -7.399 0.308 487 H ILE 58 H ILE 58 2.198 -2.708 -0.547 488 HA ILE 58 HA ILE 58 -0.540 -2.565 -0.678 489 HB ILE 58 HB ILE 58 1.451 -0.339 -1.166 490 1HG1 ILE 58 1HG1 ILE 58 1.407 -1.804 1.030 491 2HG1 ILE 58 2HG1 ILE 58 1.538 -0.052 1.146 492 1HG2 ILE 58 1HG2 ILE 58 -0.576 0.593 -1.876 493 2HG2 ILE 58 2HG2 ILE 58 -0.554 1.014 -0.164 494 3HG2 ILE 58 3HG2 ILE 58 -1.526 -0.347 -0.725 495 1HD1 ILE 58 1HD1 ILE 58 -1.135 -1.464 1.215 496 2HD1 ILE 58 2HD1 ILE 58 -0.766 0.189 1.703 497 3HD1 ILE 58 3HD1 ILE 58 -0.192 -1.166 2.674 498 H ILE 59 H ILE 59 1.342 -3.189 -3.281 499 HA ILE 59 HA ILE 59 -0.172 -1.678 -5.255 500 HB ILE 59 HB ILE 59 2.138 -1.967 -5.761 501 1HG1 ILE 59 1HG1 ILE 59 0.795 -4.136 -7.385 502 2HG1 ILE 59 2HG1 ILE 59 0.403 -2.430 -7.606 503 1HG2 ILE 59 1HG2 ILE 59 3.103 -4.304 -5.936 504 2HG2 ILE 59 2HG2 ILE 59 1.635 -4.890 -5.153 505 3HG2 ILE 59 3HG2 ILE 59 2.711 -3.785 -4.296 506 1HD1 ILE 59 1HD1 ILE 59 2.763 -1.931 -8.078 507 2HD1 ILE 59 2HD1 ILE 59 2.164 -3.166 -9.186 508 3HD1 ILE 59 3HD1 ILE 59 3.183 -3.625 -7.822 509 H HIS 60 H HIS 60 -0.194 -4.820 -3.760 510 HA HIS 60 HA HIS 60 -1.616 -6.348 -5.689 511 1HB HIS 60 1HB HIS 60 -2.235 -7.789 -3.881 512 2HB HIS 60 2HB HIS 60 -0.551 -7.321 -3.701 513 HD1 HIS 60 HD1 HIS 60 -0.262 -5.114 -2.029 514 HD2 HIS 60 HD2 HIS 60 -3.648 -7.486 -1.545 515 HE1 HIS 60 HE1 HIS 60 -1.091 -4.694 0.319 516 HE2 HIS 60 HE2 HIS 60 -3.174 -6.116 0.628 517 H LEU 61 H LEU 61 -2.666 -3.581 -4.043 518 HA LEU 61 HA LEU 61 -5.440 -4.260 -4.819 519 1HB LEU 61 1HB LEU 61 -5.257 -2.176 -2.778 520 2HB LEU 61 2HB LEU 61 -6.257 -3.626 -2.814 521 HG LEU 61 HG LEU 61 -4.127 -4.916 -2.219 522 1HD1 LEU 61 1HD1 LEU 61 -2.251 -3.626 -2.341 523 2HD1 LEU 61 2HD1 LEU 61 -2.732 -3.079 -0.737 524 3HD1 LEU 61 3HD1 LEU 61 -3.153 -2.123 -2.154 525 1HD2 LEU 61 1HD2 LEU 61 -5.988 -4.465 -0.645 526 2HD2 LEU 61 2HD2 LEU 61 -5.236 -2.928 -0.218 527 3HD2 LEU 61 3HD2 LEU 61 -4.426 -4.445 0.174 528 H ALA 62 H ALA 62 -3.147 -1.623 -4.170 529 HA ALA 62 HA ALA 62 -4.572 0.405 -5.509 530 1HB ALA 62 1HB ALA 62 -2.597 1.706 -5.310 531 2HB ALA 62 2HB ALA 62 -1.568 0.273 -5.270 532 3HB ALA 62 3HB ALA 62 -2.610 0.648 -3.898 533 H GLU 63 H GLU 63 -3.733 -2.327 -6.919 534 HA GLU 63 HA GLU 63 -2.422 -1.230 -9.284 535 1HB GLU 63 1HB GLU 63 -2.519 -3.612 -10.098 536 2HB GLU 63 2HB GLU 63 -1.628 -3.394 -8.592 537 1HG GLU 63 1HG GLU 63 -3.597 -4.091 -7.303 538 2HG GLU 63 2HG GLU 63 -4.525 -4.264 -8.791 539 H SER 64 H SER 64 -5.181 -0.443 -8.523 540 HA SER 64 HA SER 64 -6.582 -1.353 -10.970 541 1HB SER 64 1HB SER 64 -7.747 -2.194 -9.019 542 2HB SER 64 2HB SER 64 -7.729 -0.598 -8.273 543 HG SER 64 HG SER 64 -8.960 0.116 -10.119 544 H LEU 65 H LEU 65 -6.811 1.315 -8.594 545 HA LEU 65 HA LEU 65 -7.973 3.227 -10.161 546 1HB LEU 65 1HB LEU 65 -6.199 3.248 -7.824 547 2HB LEU 65 2HB LEU 65 -6.062 4.708 -8.800 548 HG LEU 65 HG LEU 65 -7.800 4.963 -7.075 549 1HD1 LEU 65 1HD1 LEU 65 -9.572 4.772 -9.409 550 2HD1 LEU 65 2HD1 LEU 65 -8.037 5.557 -9.778 551 3HD1 LEU 65 3HD1 LEU 65 -9.064 6.191 -8.497 552 1HD2 LEU 65 1HD2 LEU 65 -9.475 2.888 -8.468 553 2HD2 LEU 65 2HD2 LEU 65 -9.600 3.497 -6.818 554 3HD2 LEU 65 3HD2 LEU 65 -8.306 2.380 -7.247 555 H TYR 66 H TYR 66 -4.704 2.031 -10.359 556 HA TYR 66 HA TYR 66 -4.174 3.901 -12.597 557 1HB TYR 66 1HB TYR 66 -2.104 2.506 -10.895 558 2HB TYR 66 2HB TYR 66 -1.843 3.803 -12.057 559 HD1 TYR 66 HD1 TYR 66 -1.811 6.024 -11.322 560 HD2 TYR 66 HD2 TYR 66 -3.740 3.039 -8.909 561 HE1 TYR 66 HE1 TYR 66 -2.161 7.700 -9.531 562 HE2 TYR 66 HE2 TYR 66 -4.095 4.719 -7.115 563 HH TYR 66 HH TYR 66 -4.029 6.921 -6.625 564 H GLU 67 H GLU 67 -3.016 3.053 -14.400 565 HA GLU 67 HA GLU 67 -3.905 0.678 -15.454 566 1HB GLU 67 1HB GLU 67 -1.225 1.992 -15.970 567 2HB GLU 67 2HB GLU 67 -2.006 0.806 -17.016 568 1HG GLU 67 1HG GLU 67 -3.281 3.436 -16.229 569 2HG GLU 67 2HG GLU 67 -2.367 3.204 -17.718 570 H GLY 68 H GLY 68 -1.696 1.087 -12.908 571 1HA GLY 68 1HA GLY 68 -1.455 -1.289 -11.838 572 2HA GLY 68 2HA GLY 68 -0.472 -1.562 -13.273 573 H ILE 69 H ILE 69 -0.703 0.142 -10.222 574 HA ILE 69 HA ILE 69 1.425 1.863 -10.240 575 HB ILE 69 HB ILE 69 0.701 -0.070 -8.024 576 1HG1 ILE 69 1HG1 ILE 69 -1.043 1.624 -9.049 577 2HG1 ILE 69 2HG1 ILE 69 -0.888 1.477 -7.301 578 1HG2 ILE 69 1HG2 ILE 69 1.679 1.905 -6.642 579 2HG2 ILE 69 2HG2 ILE 69 2.465 2.370 -8.151 580 3HG2 ILE 69 3HG2 ILE 69 2.804 0.797 -7.428 581 1HD1 ILE 69 1HD1 ILE 69 0.815 3.485 -8.748 582 2HD1 ILE 69 2HD1 ILE 69 0.222 3.512 -7.088 583 3HD1 ILE 69 3HD1 ILE 69 -0.876 3.862 -8.422 584 H LYS 70 H LYS 70 3.658 1.680 -9.643 585 HA LYS 70 HA LYS 70 4.898 -0.748 -10.689 586 1HB LYS 70 1HB LYS 70 5.552 1.851 -10.998 587 2HB LYS 70 2HB LYS 70 6.567 1.462 -9.611 588 1HG LYS 70 1HG LYS 70 6.507 -0.047 -12.246 589 2HG LYS 70 2HG LYS 70 7.780 1.052 -11.716 590 1HD LYS 70 1HD LYS 70 8.000 -0.471 -9.651 591 2HD LYS 70 2HD LYS 70 7.033 -1.635 -10.556 592 1HE LYS 70 1HE LYS 70 9.596 -0.393 -11.593 593 2HE LYS 70 2HE LYS 70 9.502 -1.979 -10.825 594 1HZ LYS 70 1HZ LYS 70 7.519 -1.801 -12.804 595 2HZ LYS 70 2HZ LYS 70 8.854 -2.850 -12.735 596 3HZ LYS 70 3HZ LYS 70 8.999 -1.334 -13.489 597 H SER 71 H SER 71 4.703 1.109 -7.679 598 HA SER 71 HA SER 71 4.955 -1.129 -6.006 599 1HB SER 71 1HB SER 71 7.185 -1.518 -6.287 600 2HB SER 71 2HB SER 71 7.498 0.109 -6.881 601 HG SER 71 HG SER 71 8.003 -0.823 -4.500 602 H VAL 72 H VAL 72 5.823 -0.305 -3.712 603 HA VAL 72 HA VAL 72 5.059 2.467 -3.167 604 HB VAL 72 HB VAL 72 3.670 0.157 -1.780 605 1HG1 VAL 72 1HG1 VAL 72 3.388 3.172 -1.664 606 2HG1 VAL 72 2HG1 VAL 72 3.841 2.085 -0.349 607 3HG1 VAL 72 3HG1 VAL 72 2.197 2.061 -0.988 608 1HG2 VAL 72 1HG2 VAL 72 1.637 1.054 -3.007 609 2HG2 VAL 72 2HG2 VAL 72 2.818 0.243 -4.034 610 3HG2 VAL 72 3HG2 VAL 72 2.744 2.005 -3.998 611 H ASN 73 H ASN 73 5.921 3.254 -1.238 612 HA ASN 73 HA ASN 73 7.190 1.515 0.674 613 1HB ASN 73 1HB ASN 73 8.760 1.560 -1.357 614 2HB ASN 73 2HB ASN 73 9.081 3.235 -0.915 615 1HD2 ASN 73 1HD2 ASN 73 10.147 0.078 -0.386 616 2HD2 ASN 73 2HD2 ASN 73 10.979 0.333 1.071 617 H PHE 74 H PHE 74 8.101 2.589 2.448 618 HA PHE 74 HA PHE 74 7.455 5.467 2.657 619 1HB PHE 74 1HB PHE 74 7.212 3.619 5.011 620 2HB PHE 74 2HB PHE 74 6.444 5.180 4.734 621 HD1 PHE 74 HD1 PHE 74 6.582 1.736 3.230 622 HD2 PHE 74 HD2 PHE 74 4.213 5.221 4.071 623 HE1 PHE 74 HE1 PHE 74 4.582 0.602 2.306 624 HE2 PHE 74 HE2 PHE 74 2.214 4.085 3.145 625 HZ PHE 74 HZ PHE 74 2.398 1.776 2.265 626 H VAL 75 H VAL 75 8.801 6.683 4.040 627 HA VAL 75 HA VAL 75 11.119 5.375 5.251 628 HB VAL 75 HB VAL 75 12.733 6.745 4.069 629 1HG1 VAL 75 1HG1 VAL 75 10.897 5.499 2.014 630 2HG1 VAL 75 2HG1 VAL 75 11.928 4.547 3.082 631 3HG1 VAL 75 3HG1 VAL 75 12.649 5.667 1.928 632 1HG2 VAL 75 1HG2 VAL 75 11.499 8.748 3.629 633 2HG2 VAL 75 2HG2 VAL 75 10.258 7.864 2.744 634 3HG2 VAL 75 3HG2 VAL 75 11.866 8.059 2.048 635 H ASN 76 H ASN 76 12.576 7.902 5.431 636 HA ASN 76 HA ASN 76 10.775 9.381 7.260 637 1HB ASN 76 1HB ASN 76 12.380 8.172 8.580 638 2HB ASN 76 2HB ASN 76 13.711 8.777 7.606 639 1HD2 ASN 76 1HD2 ASN 76 11.327 9.664 10.074 640 2HD2 ASN 76 2HD2 ASN 76 12.054 11.140 10.490 641 H GLU 77 H GLU 77 11.731 11.524 7.825 642 HA GLU 77 HA GLU 77 11.486 13.349 5.898 643 1HB GLU 77 1HB GLU 77 13.584 13.618 8.051 644 2HB GLU 77 2HB GLU 77 12.701 14.918 7.251 645 1HG GLU 77 1HG GLU 77 10.567 13.871 8.140 646 2HG GLU 77 2HG GLU 77 11.584 12.813 9.117 647 H GLN 78 H GLN 78 14.814 12.830 6.990 648 HA GLN 78 HA GLN 78 16.069 13.945 4.818 649 1HB GLN 78 1HB GLN 78 17.086 11.569 6.394 650 2HB GLN 78 2HB GLN 78 18.064 12.706 5.466 651 1HG GLN 78 1HG GLN 78 17.241 14.551 6.925 652 2HG GLN 78 2HG GLN 78 16.368 13.363 7.892 653 1HE2 GLN 78 1HE2 GLN 78 18.836 11.493 7.208 654 2HE2 GLN 78 2HE2 GLN 78 19.970 11.955 8.383 655 H ASP 79 H ASP 79 15.291 10.489 5.210 656 HA ASP 79 HA ASP 79 16.356 9.554 2.828 657 1HB ASP 79 1HB ASP 79 15.333 8.101 4.544 658 2HB ASP 79 2HB ASP 79 13.741 8.699 4.081 659 H PHE 80 H PHE 80 12.888 10.383 3.242 660 HA PHE 80 HA PHE 80 12.152 10.403 0.581 661 1HB PHE 80 1HB PHE 80 10.376 10.708 2.067 662 2HB PHE 80 2HB PHE 80 11.223 11.954 2.981 663 HD1 PHE 80 HD1 PHE 80 10.003 13.949 2.824 664 HD2 PHE 80 HD2 PHE 80 10.577 11.549 -0.694 665 HE1 PHE 80 HE1 PHE 80 8.914 15.701 1.451 666 HE2 PHE 80 HE2 PHE 80 9.485 13.302 -2.066 667 HZ PHE 80 HZ PHE 80 8.654 15.378 -0.995 668 H PHE 81 H PHE 81 13.829 12.861 2.463 669 HA PHE 81 HA PHE 81 13.708 14.946 0.554 670 1HB PHE 81 1HB PHE 81 14.617 14.697 3.149 671 2HB PHE 81 2HB PHE 81 16.109 14.934 2.242 672 HD1 PHE 81 HD1 PHE 81 13.437 16.595 3.825 673 HD2 PHE 81 HD2 PHE 81 15.949 16.814 0.347 674 HE1 PHE 81 HE1 PHE 81 12.922 19.011 3.605 675 HE2 PHE 81 HE2 PHE 81 15.435 19.231 0.130 676 HZ PHE 81 HZ PHE 81 13.920 20.328 1.757 677 H PHE 82 H PHE 82 15.694 12.095 0.811 678 HA PHE 82 HA PHE 82 17.777 13.076 -0.931 679 1HB PHE 82 1HB PHE 82 18.248 11.365 0.781 680 2HB PHE 82 2HB PHE 82 17.122 10.265 -0.011 681 HD1 PHE 82 HD1 PHE 82 20.197 12.300 -0.666 682 HD2 PHE 82 HD2 PHE 82 17.857 8.862 -1.743 683 HE1 PHE 82 HE1 PHE 82 21.993 11.560 -2.209 684 HE2 PHE 82 HE2 PHE 82 19.653 8.122 -3.286 685 HZ PHE 82 HZ PHE 82 21.720 9.471 -3.519 686 H ASN 83 H ASN 83 14.748 11.384 -1.219 687 HA ASN 83 HA ASN 83 15.238 10.527 -3.950 688 1HB ASN 83 1HB ASN 83 13.342 9.927 -1.867 689 2HB ASN 83 2HB ASN 83 12.467 10.367 -3.330 690 1HD2 ASN 83 1HD2 ASN 83 15.054 8.174 -2.143 691 2HD2 ASN 83 2HD2 ASN 83 14.799 6.989 -3.331 692 H LEU 84 H LEU 84 15.311 13.426 -3.193 693 HA LEU 84 HA LEU 84 13.048 14.503 -4.718 694 1HB LEU 84 1HB LEU 84 14.934 15.564 -2.710 695 2HB LEU 84 2HB LEU 84 14.633 16.663 -4.050 696 HG LEU 84 HG LEU 84 13.073 16.850 -2.020 697 1HD1 LEU 84 1HD1 LEU 84 12.378 18.014 -3.927 698 2HD1 LEU 84 2HD1 LEU 84 11.010 16.948 -3.615 699 3HD1 LEU 84 3HD1 LEU 84 12.172 16.543 -4.876 700 1HD2 LEU 84 1HD2 LEU 84 11.414 14.665 -3.170 701 2HD2 LEU 84 2HD2 LEU 84 11.604 15.175 -1.494 702 3HD2 LEU 84 3HD2 LEU 84 12.825 14.149 -2.244 703 H ALA 85 H ALA 85 16.502 15.326 -4.619 704 HA ALA 85 HA ALA 85 16.555 16.154 -7.326 705 1HB ALA 85 1HB ALA 85 18.754 15.493 -5.366 706 2HB ALA 85 2HB ALA 85 18.164 17.091 -5.822 707 3HB ALA 85 3HB ALA 85 19.060 16.116 -6.988 708 H LYS 86 H LYS 86 17.301 13.135 -5.701 709 HA LYS 86 HA LYS 86 18.766 11.578 -7.206 710 1HB LYS 86 1HB LYS 86 17.368 10.619 -5.477 711 2HB LYS 86 2HB LYS 86 15.918 10.903 -6.437 712 1HG LYS 86 1HG LYS 86 16.725 8.535 -6.551 713 2HG LYS 86 2HG LYS 86 16.663 9.320 -8.127 714 1HD LYS 86 1HD LYS 86 18.997 9.541 -8.255 715 2HD LYS 86 2HD LYS 86 19.202 9.380 -6.510 716 1HE LYS 86 1HE LYS 86 18.657 7.024 -6.600 717 2HE LYS 86 2HE LYS 86 18.216 7.146 -8.304 718 1HZ LYS 86 1HZ LYS 86 20.897 7.353 -7.080 719 2HZ LYS 86 2HZ LYS 86 20.584 7.968 -8.633 720 3HZ LYS 86 3HZ LYS 86 20.375 6.314 -8.314 721 H LEU 87 H LEU 87 15.559 12.651 -8.289 722 HA LEU 87 HA LEU 87 15.348 11.268 -10.674 723 1HB LEU 87 1HB LEU 87 14.041 13.454 -9.434 724 2HB LEU 87 2HB LEU 87 14.469 14.002 -11.052 725 HG LEU 87 HG LEU 87 13.488 11.756 -11.873 726 1HD1 LEU 87 1HD1 LEU 87 11.822 10.744 -10.381 727 2HD1 LEU 87 2HD1 LEU 87 12.224 11.907 -9.118 728 3HD1 LEU 87 3HD1 LEU 87 13.411 10.705 -9.619 729 1HD2 LEU 87 1HD2 LEU 87 12.307 13.783 -12.342 730 2HD2 LEU 87 2HD2 LEU 87 11.831 13.977 -10.655 731 3HD2 LEU 87 3HD2 LEU 87 11.118 12.691 -11.629 732 H GLU 88 H GLU 88 17.331 11.003 -11.692 733 HA GLU 88 HA GLU 88 18.478 13.442 -12.928 734 1HB GLU 88 1HB GLU 88 19.823 10.908 -11.983 735 2HB GLU 88 2HB GLU 88 20.606 12.065 -13.061 736 1HG GLU 88 1HG GLU 88 19.377 12.905 -10.432 737 2HG GLU 88 2HG GLU 88 21.049 12.357 -10.550 738 H GLU 89 H GLU 89 19.527 13.057 -15.037 739 HA GLU 89 HA GLU 89 17.912 11.188 -16.644 740 1HB GLU 89 1HB GLU 89 19.585 13.579 -17.450 741 2HB GLU 89 2HB GLU 89 18.672 12.563 -18.565 742 1HG GLU 89 1HG GLU 89 16.583 13.144 -17.452 743 2HG GLU 89 2HG GLU 89 17.457 14.068 -16.231 744 H ASN 90 H ASN 90 20.921 12.453 -17.805 745 HA ASN 90 HA ASN 90 22.804 10.591 -17.102 746 1HB ASN 90 1HB ASN 90 20.787 9.469 -18.944 747 2HB ASN 90 2HB ASN 90 22.452 9.234 -19.467 748 1HD2 ASN 90 1HD2 ASN 90 21.975 6.866 -18.986 749 2HD2 ASN 90 2HD2 ASN 90 22.136 6.325 -17.385 750 H SER 91 H SER 91 24.729 10.895 -18.213 751 HA SER 91 HA SER 91 24.810 12.188 -20.785 752 1HB SER 91 1HB SER 91 24.283 14.094 -19.259 753 2HB SER 91 2HB SER 91 25.777 13.762 -18.388 754 HG SER 91 HG SER 91 25.672 14.192 -21.186 755 H ARG 92 H ARG 92 25.918 9.880 -19.131 756 HA ARG 92 HA ARG 92 28.751 10.387 -18.963 757 1HB ARG 92 1HB ARG 92 27.453 7.665 -18.978 758 2HB ARG 92 2HB ARG 92 28.950 8.164 -18.192 759 1HG ARG 92 1HG ARG 92 27.480 9.781 -16.822 760 2HG ARG 92 2HG ARG 92 26.113 8.832 -17.408 761 1HD ARG 92 1HD ARG 92 28.320 8.031 -15.552 762 2HD ARG 92 2HD ARG 92 26.596 7.689 -15.449 763 HE ARG 92 HE ARG 92 28.582 6.097 -16.795 764 1HH1 ARG 92 1HH1 ARG 92 25.266 7.087 -16.739 765 2HH1 ARG 92 2HH1 ARG 92 24.683 5.657 -17.522 766 1HH2 ARG 92 1HH2 ARG 92 27.823 4.219 -17.822 767 2HH2 ARG 92 2HH2 ARG 92 26.130 4.033 -18.135 768 H ASP 93 H ASP 93 27.284 7.664 -20.688 769 HA ASP 93 HA ASP 93 28.203 8.494 -23.276 770 1HB ASP 93 1HB ASP 93 29.811 6.502 -21.688 771 2HB ASP 93 2HB ASP 93 29.790 6.463 -23.449 772 H THR 94 H THR 94 26.102 6.990 -21.414 773 HA THR 94 HA THR 94 25.602 4.452 -22.402 774 HB THR 94 HB THR 94 24.222 5.058 -20.630 775 HG1 THR 94 HG1 THR 94 22.607 5.566 -22.905 776 1HG2 THR 94 1HG2 THR 94 23.801 7.631 -22.158 777 2HG2 THR 94 2HG2 THR 94 24.546 7.416 -20.573 778 3HG2 THR 94 3HG2 THR 94 22.808 7.189 -20.768 779 H LEU 95 H LEU 95 25.844 4.089 -24.559 780 HA LEU 95 HA LEU 95 24.708 5.840 -26.549 781 1HB LEU 95 1HB LEU 95 26.504 3.541 -26.483 782 2HB LEU 95 2HB LEU 95 25.333 3.407 -27.792 783 HG LEU 95 HG LEU 95 25.941 5.775 -28.455 784 1HD1 LEU 95 1HD1 LEU 95 28.186 6.546 -27.590 785 2HD1 LEU 95 2HD1 LEU 95 28.089 5.270 -26.377 786 3HD1 LEU 95 3HD1 LEU 95 26.901 6.573 -26.384 787 1HD2 LEU 95 1HD2 LEU 95 27.998 5.102 -29.586 788 2HD2 LEU 95 2HD2 LEU 95 26.879 3.738 -29.564 789 3HD2 LEU 95 3HD2 LEU 95 28.234 3.787 -28.435 790 H TYR 96 H TYR 96 23.599 4.210 -28.413 791 HA TYR 96 HA TYR 96 20.943 3.931 -27.554 792 1HB TYR 96 1HB TYR 96 21.517 4.184 -29.911 793 2HB TYR 96 2HB TYR 96 22.352 2.630 -29.898 794 HD1 TYR 96 HD1 TYR 96 19.039 4.269 -29.532 795 HD2 TYR 96 HD2 TYR 96 21.151 0.566 -30.049 796 HE1 TYR 96 HE1 TYR 96 16.896 3.113 -30.001 797 HE2 TYR 96 HE2 TYR 96 19.008 -0.591 -30.519 798 HH TYR 96 HH TYR 96 16.630 0.266 -31.470 799 H GLN 97 H GLN 97 20.152 2.516 -26.141 800 HA GLN 97 HA GLN 97 21.146 -0.271 -26.208 801 1HB GLN 97 1HB GLN 97 20.563 1.418 -23.765 802 2HB GLN 97 2HB GLN 97 20.845 -0.321 -23.726 803 1HG GLN 97 1HG GLN 97 22.834 1.519 -25.045 804 2HG GLN 97 2HG GLN 97 22.861 1.276 -23.300 805 1HE2 GLN 97 1HE2 GLN 97 24.169 -0.425 -22.642 806 2HE2 GLN 97 2HE2 GLN 97 24.565 -1.775 -23.592 807 H ASN 98 H ASN 98 19.243 -0.558 -27.595 808 HA ASN 98 HA ASN 98 17.125 -1.390 -27.906 809 1HB ASN 98 1HB ASN 98 17.784 -2.536 -25.659 810 2HB ASN 98 2HB ASN 98 16.675 -1.374 -24.934 811 1HD2 ASN 98 1HD2 ASN 98 15.140 -1.536 -27.682 812 2HD2 ASN 98 2HD2 ASN 98 14.200 -2.937 -27.496 813 H SER 99 H SER 99 17.322 1.037 -25.318 814 HA SER 99 HA SER 99 15.178 2.551 -26.648 815 1HB SER 99 1HB SER 99 14.117 1.246 -24.835 816 2HB SER 99 2HB SER 99 15.244 1.953 -23.679 817 HG SER 99 HG SER 99 13.933 3.581 -23.591 818 H GLY 100 H GLY 100 17.729 2.472 -24.192 819 1HA GLY 100 1HA GLY 100 19.271 4.059 -23.558 820 2HA GLY 100 2HA GLY 100 18.884 4.915 -25.047 Start of MODEL 17 1 H MET 1 H MET 1 -8.387 13.734 -7.524 2 HA MET 1 HA MET 1 -9.792 15.303 -5.435 3 1HB MET 1 1HB MET 1 -10.448 15.592 -7.862 4 2HB MET 1 2HB MET 1 -10.861 13.879 -7.887 5 1HG MET 1 1HG MET 1 -12.916 14.901 -7.381 6 2HG MET 1 2HG MET 1 -12.312 14.440 -5.790 7 1HE MET 1 1HE MET 1 -14.225 17.172 -7.329 8 2HE MET 1 2HE MET 1 -14.261 17.936 -5.742 9 3HE MET 1 3HE MET 1 -14.485 16.193 -5.879 10 H GLU 2 H GLU 2 -11.519 12.769 -6.757 11 HA GLU 2 HA GLU 2 -11.668 11.325 -4.326 12 1HB GLU 2 1HB GLU 2 -12.820 9.595 -5.798 13 2HB GLU 2 2HB GLU 2 -13.536 11.207 -5.786 14 1HG GLU 2 1HG GLU 2 -12.489 11.767 -7.885 15 2HG GLU 2 2HG GLU 2 -11.540 10.281 -7.864 16 H GLN 3 H GLN 3 -9.321 11.379 -6.717 17 HA GLN 3 HA GLN 3 -8.429 8.837 -7.138 18 1HB GLN 3 1HB GLN 3 -7.371 10.917 -8.012 19 2HB GLN 3 2HB GLN 3 -6.648 11.174 -6.424 20 1HG GLN 3 1HG GLN 3 -5.363 9.160 -6.582 21 2HG GLN 3 2HG GLN 3 -6.261 8.623 -8.001 22 1HE2 GLN 3 1HE2 GLN 3 -6.245 10.818 -9.673 23 2HE2 GLN 3 2HE2 GLN 3 -4.653 11.276 -10.042 24 H PHE 4 H PHE 4 -6.700 10.717 -4.696 25 HA PHE 4 HA PHE 4 -5.602 8.623 -3.287 26 1HB PHE 4 1HB PHE 4 -6.278 10.444 -1.271 27 2HB PHE 4 2HB PHE 4 -4.787 10.433 -2.209 28 HD1 PHE 4 HD1 PHE 4 -4.839 11.639 -4.516 29 HD2 PHE 4 HD2 PHE 4 -7.738 12.278 -1.412 30 HE1 PHE 4 HE1 PHE 4 -5.463 13.807 -5.546 31 HE2 PHE 4 HE2 PHE 4 -8.362 14.445 -2.441 32 HZ PHE 4 HZ PHE 4 -7.225 15.210 -4.508 33 H ASN 5 H ASN 5 -8.801 10.067 -2.750 34 HA ASN 5 HA ASN 5 -9.549 8.433 -0.593 35 1HB ASN 5 1HB ASN 5 -10.742 10.496 -1.692 36 2HB ASN 5 2HB ASN 5 -11.550 9.272 -2.668 37 1HD2 ASN 5 1HD2 ASN 5 -10.711 9.746 0.820 38 2HD2 ASN 5 2HD2 ASN 5 -12.214 9.206 1.396 39 H ALA 6 H ALA 6 -9.510 7.854 -4.045 40 HA ALA 6 HA ALA 6 -11.114 5.497 -4.025 41 1HB ALA 6 1HB ALA 6 -8.987 6.120 -6.064 42 2HB ALA 6 2HB ALA 6 -10.526 6.978 -6.026 43 3HB ALA 6 3HB ALA 6 -10.494 5.235 -6.290 44 H PHE 7 H PHE 7 -7.568 5.908 -4.293 45 HA PHE 7 HA PHE 7 -7.042 3.114 -4.091 46 1HB PHE 7 1HB PHE 7 -5.088 3.907 -4.876 47 2HB PHE 7 2HB PHE 7 -5.494 5.550 -4.399 48 HD1 PHE 7 HD1 PHE 7 -4.281 2.292 -3.017 49 HD2 PHE 7 HD2 PHE 7 -4.378 6.565 -2.587 50 HE1 PHE 7 HE1 PHE 7 -2.655 2.141 -1.151 51 HE2 PHE 7 HE2 PHE 7 -2.750 6.413 -0.722 52 HZ PHE 7 HZ PHE 7 -1.889 4.202 -0.003 53 H LYS 8 H LYS 8 -7.003 5.774 -1.742 54 HA LYS 8 HA LYS 8 -6.047 4.336 0.468 55 1HB LYS 8 1HB LYS 8 -6.417 6.868 0.198 56 2HB LYS 8 2HB LYS 8 -8.075 6.541 0.700 57 1HG LYS 8 1HG LYS 8 -7.310 5.553 2.784 58 2HG LYS 8 2HG LYS 8 -5.627 5.670 2.268 59 1HD LYS 8 1HD LYS 8 -5.821 7.568 3.612 60 2HD LYS 8 2HD LYS 8 -6.187 8.241 2.024 61 1HE LYS 8 1HE LYS 8 -7.868 9.029 3.580 62 2HE LYS 8 2HE LYS 8 -8.628 7.860 2.502 63 1HZ LYS 8 1HZ LYS 8 -9.046 7.632 4.991 64 2HZ LYS 8 2HZ LYS 8 -7.461 7.028 5.083 65 3HZ LYS 8 3HZ LYS 8 -8.622 6.229 4.136 66 H SER 9 H SER 9 -9.463 5.111 -0.364 67 HA SER 9 HA SER 9 -10.562 3.632 1.716 68 1HB SER 9 1HB SER 9 -11.946 5.137 0.356 69 2HB SER 9 2HB SER 9 -11.708 4.112 -1.057 70 HG SER 9 HG SER 9 -13.522 3.287 -0.300 71 H LEU 10 H LEU 10 -9.142 2.685 -1.286 72 HA LEU 10 HA LEU 10 -10.164 0.076 -1.549 73 1HB LEU 10 1HB LEU 10 -8.440 1.609 -2.997 74 2HB LEU 10 2HB LEU 10 -7.308 0.489 -2.245 75 HG LEU 10 HG LEU 10 -9.699 -0.204 -3.973 76 1HD1 LEU 10 1HD1 LEU 10 -7.808 -1.413 -5.234 77 2HD1 LEU 10 2HD1 LEU 10 -6.697 -0.471 -4.242 78 3HD1 LEU 10 3HD1 LEU 10 -7.818 0.347 -5.328 79 1HD2 LEU 10 1HD2 LEU 10 -8.720 -2.594 -3.594 80 2HD2 LEU 10 2HD2 LEU 10 -9.749 -1.909 -2.343 81 3HD2 LEU 10 3HD2 LEU 10 -7.998 -1.898 -2.145 82 H LEU 11 H LEU 11 -7.483 1.417 0.332 83 HA LEU 11 HA LEU 11 -6.403 -1.030 1.252 84 1HB LEU 11 1HB LEU 11 -6.316 1.805 2.255 85 2HB LEU 11 2HB LEU 11 -5.675 0.507 3.255 86 HG LEU 11 HG LEU 11 -4.840 0.637 0.376 87 1HD1 LEU 11 1HD1 LEU 11 -2.853 2.061 1.346 88 2HD1 LEU 11 2HD1 LEU 11 -4.036 2.543 2.562 89 3HD1 LEU 11 3HD1 LEU 11 -4.340 2.871 0.857 90 1HD2 LEU 11 1HD2 LEU 11 -3.436 -0.117 2.964 91 2HD2 LEU 11 2HD2 LEU 11 -2.762 -0.295 1.343 92 3HD2 LEU 11 3HD2 LEU 11 -4.163 -1.253 1.826 93 H LYS 12 H LYS 12 -8.882 1.133 2.617 94 HA LYS 12 HA LYS 12 -9.422 0.063 5.051 95 1HB LYS 12 1HB LYS 12 -10.856 1.616 3.271 96 2HB LYS 12 2HB LYS 12 -11.878 0.189 3.430 97 1HG LYS 12 1HG LYS 12 -11.788 0.420 5.901 98 2HG LYS 12 2HG LYS 12 -10.804 1.871 5.716 99 1HD LYS 12 1HD LYS 12 -12.903 2.840 5.887 100 2HD LYS 12 2HD LYS 12 -12.813 2.625 4.139 101 1HE LYS 12 1HE LYS 12 -14.941 1.757 4.784 102 2HE LYS 12 2HE LYS 12 -13.921 0.346 4.507 103 1HZ LYS 12 1HZ LYS 12 -15.324 0.864 6.770 104 2HZ LYS 12 2HZ LYS 12 -13.750 1.347 7.188 105 3HZ LYS 12 3HZ LYS 12 -14.039 -0.234 6.638 106 H LYS 13 H LYS 13 -10.845 -1.286 2.071 107 HA LYS 13 HA LYS 13 -11.973 -3.613 3.075 108 1HB LYS 13 1HB LYS 13 -11.517 -2.546 0.563 109 2HB LYS 13 2HB LYS 13 -10.562 -4.025 0.534 110 1HG LYS 13 1HG LYS 13 -12.703 -4.719 -0.188 111 2HG LYS 13 2HG LYS 13 -12.661 -5.175 1.514 112 1HD LYS 13 1HD LYS 13 -13.631 -2.664 1.769 113 2HD LYS 13 2HD LYS 13 -14.246 -3.042 0.160 114 1HE LYS 13 1HE LYS 13 -15.951 -3.785 1.624 115 2HE LYS 13 2HE LYS 13 -15.074 -5.255 1.200 116 1HZ LYS 13 1HZ LYS 13 -15.595 -4.567 3.696 117 2HZ LYS 13 2HZ LYS 13 -14.106 -3.772 3.511 118 3HZ LYS 13 3HZ LYS 13 -14.212 -5.449 3.262 119 H HIS 14 H HIS 14 -8.632 -2.976 2.158 120 HA HIS 14 HA HIS 14 -7.627 -5.619 2.537 121 1HB HIS 14 1HB HIS 14 -6.579 -3.648 1.265 122 2HB HIS 14 2HB HIS 14 -6.001 -3.109 2.839 123 HD1 HIS 14 HD1 HIS 14 -3.610 -3.806 3.000 124 HD2 HIS 14 HD2 HIS 14 -5.976 -6.809 1.340 125 HE1 HIS 14 HE1 HIS 14 -2.098 -5.814 2.679 126 HE2 HIS 14 HE2 HIS 14 -3.527 -7.653 1.668 127 H TYR 15 H TYR 15 -7.054 -2.692 4.497 128 HA TYR 15 HA TYR 15 -6.191 -4.285 6.746 129 1HB TYR 15 1HB TYR 15 -6.320 -1.369 6.073 130 2HB TYR 15 2HB TYR 15 -6.160 -1.843 7.763 131 HD1 TYR 15 HD1 TYR 15 -4.782 -3.605 4.767 132 HD2 TYR 15 HD2 TYR 15 -3.914 -1.243 8.249 133 HE1 TYR 15 HE1 TYR 15 -2.360 -4.000 4.432 134 HE2 TYR 15 HE2 TYR 15 -1.491 -1.640 7.911 135 HH TYR 15 HH TYR 15 -0.051 -3.372 6.793 136 H GLU 16 H GLU 16 -9.064 -4.388 5.794 137 HA GLU 16 HA GLU 16 -10.825 -3.047 7.448 138 1HB GLU 16 1HB GLU 16 -12.310 -5.035 7.185 139 2HB GLU 16 2HB GLU 16 -11.614 -4.487 5.660 140 1HG GLU 16 1HG GLU 16 -9.855 -6.210 5.841 141 2HG GLU 16 2HG GLU 16 -10.553 -6.761 7.363 142 H LYS 17 H LYS 17 -8.590 -5.591 8.213 143 HA LYS 17 HA LYS 17 -9.770 -6.035 10.851 144 1HB LYS 17 1HB LYS 17 -9.167 -8.069 9.840 145 2HB LYS 17 2HB LYS 17 -7.660 -7.407 9.205 146 1HG LYS 17 1HG LYS 17 -6.677 -7.326 11.370 147 2HG LYS 17 2HG LYS 17 -8.218 -7.653 12.157 148 1HD LYS 17 1HD LYS 17 -8.260 -9.907 11.349 149 2HD LYS 17 2HD LYS 17 -6.921 -9.602 10.240 150 1HE LYS 17 1HE LYS 17 -6.250 -10.841 12.327 151 2HE LYS 17 2HE LYS 17 -5.375 -9.330 12.081 152 1HZ LYS 17 1HZ LYS 17 -6.570 -9.957 14.359 153 2HZ LYS 17 2HZ LYS 17 -7.854 -9.152 13.589 154 3HZ LYS 17 3HZ LYS 17 -6.372 -8.356 13.831 155 H THR 18 H THR 18 -6.835 -4.818 9.289 156 HA THR 18 HA THR 18 -5.610 -4.152 11.845 157 HB THR 18 HB THR 18 -3.949 -3.007 10.096 158 HG1 THR 18 HG1 THR 18 -4.354 -4.903 8.343 159 1HG2 THR 18 1HG2 THR 18 -2.832 -5.239 9.866 160 2HG2 THR 18 2HG2 THR 18 -4.275 -5.981 10.556 161 3HG2 THR 18 3HG2 THR 18 -3.314 -4.860 11.519 162 H ILE 19 H ILE 19 -8.142 -2.875 11.300 163 HA ILE 19 HA ILE 19 -7.977 -0.297 10.273 164 HB ILE 19 HB ILE 19 -10.112 -1.227 10.936 165 1HG1 ILE 19 1HG1 ILE 19 -9.601 1.065 12.838 166 2HG1 ILE 19 2HG1 ILE 19 -9.608 1.303 11.090 167 1HG2 ILE 19 1HG2 ILE 19 -9.565 -0.855 13.852 168 2HG2 ILE 19 2HG2 ILE 19 -8.901 -2.296 13.081 169 3HG2 ILE 19 3HG2 ILE 19 -10.638 -1.999 13.047 170 1HD1 ILE 19 1HD1 ILE 19 -11.885 0.029 12.633 171 2HD1 ILE 19 2HD1 ILE 19 -11.881 0.477 10.927 172 3HD1 ILE 19 3HD1 ILE 19 -11.837 1.729 12.168 173 H GLY 20 H GLY 20 -7.856 -1.015 13.783 174 1HA GLY 20 1HA GLY 20 -7.075 1.249 14.908 175 2HA GLY 20 2HA GLY 20 -6.271 -0.256 15.340 176 H PHE 21 H PHE 21 -4.625 -0.892 13.405 177 HA PHE 21 HA PHE 21 -2.372 0.622 13.613 178 1HB PHE 21 1HB PHE 21 -2.462 -1.563 12.451 179 2HB PHE 21 2HB PHE 21 -3.264 -0.790 11.085 180 HD1 PHE 21 HD1 PHE 21 -1.978 0.126 9.350 181 HD2 PHE 21 HD2 PHE 21 -0.192 -0.507 13.204 182 HE1 PHE 21 HE1 PHE 21 0.229 0.796 8.439 183 HE2 PHE 21 HE2 PHE 21 2.013 0.164 12.294 184 HZ PHE 21 HZ PHE 21 2.225 0.815 9.910 185 H HIS 22 H HIS 22 -4.852 0.967 11.084 186 HA HIS 22 HA HIS 22 -3.690 3.224 9.833 187 1HB HIS 22 1HB HIS 22 -5.612 1.687 8.986 188 2HB HIS 22 2HB HIS 22 -6.663 2.724 9.947 189 HD1 HIS 22 HD1 HIS 22 -6.113 5.455 9.439 190 HD2 HIS 22 HD2 HIS 22 -5.324 2.679 6.430 191 HE1 HIS 22 HE1 HIS 22 -6.006 6.760 7.270 192 HE2 HIS 22 HE2 HIS 22 -5.526 5.082 5.426 193 H ASP 23 H ASP 23 -6.426 3.104 12.155 194 HA ASP 23 HA ASP 23 -6.633 5.878 12.485 195 1HB ASP 23 1HB ASP 23 -8.154 3.952 13.361 196 2HB ASP 23 2HB ASP 23 -7.089 3.969 14.764 197 H LYS 24 H LYS 24 -4.047 3.935 13.144 198 HA LYS 24 HA LYS 24 -3.046 5.459 15.455 199 1HB LYS 24 1HB LYS 24 -2.718 2.786 14.497 200 2HB LYS 24 2HB LYS 24 -1.142 3.576 14.491 201 1HG LYS 24 1HG LYS 24 -1.953 4.419 16.898 202 2HG LYS 24 2HG LYS 24 -2.960 2.972 16.797 203 1HD LYS 24 1HD LYS 24 -0.771 1.770 16.097 204 2HD LYS 24 2HD LYS 24 0.040 3.189 16.757 205 1HE LYS 24 1HE LYS 24 -1.660 1.156 18.185 206 2HE LYS 24 2HE LYS 24 -0.058 1.757 18.615 207 1HZ LYS 24 1HZ LYS 24 -2.663 2.871 19.185 208 2HZ LYS 24 2HZ LYS 24 -1.515 4.005 18.654 209 3HZ LYS 24 3HZ LYS 24 -1.200 3.049 20.022 210 H TYR 25 H TYR 25 -1.309 4.365 12.512 211 HA TYR 25 HA TYR 25 0.035 6.981 12.623 212 1HB TYR 25 1HB TYR 25 0.904 4.615 10.966 213 2HB TYR 25 2HB TYR 25 1.866 6.002 11.473 214 HD1 TYR 25 HD1 TYR 25 0.617 2.719 12.387 215 HD2 TYR 25 HD2 TYR 25 2.420 6.308 13.912 216 HE1 TYR 25 HE1 TYR 25 1.282 1.511 14.448 217 HE2 TYR 25 HE2 TYR 25 3.084 5.099 15.973 218 HH TYR 25 HH TYR 25 2.397 1.623 16.364 219 H ILE 26 H ILE 26 -0.972 4.746 10.014 220 HA ILE 26 HA ILE 26 -0.788 6.383 7.861 221 HB ILE 26 HB ILE 26 -3.257 4.701 8.228 222 1HG1 ILE 26 1HG1 ILE 26 -1.472 3.314 9.088 223 2HG1 ILE 26 2HG1 ILE 26 -1.789 2.788 7.436 224 1HG2 ILE 26 1HG2 ILE 26 -2.859 4.242 5.836 225 2HG2 ILE 26 2HG2 ILE 26 -1.415 5.252 5.884 226 3HG2 ILE 26 3HG2 ILE 26 -3.003 5.975 6.134 227 1HD1 ILE 26 1HD1 ILE 26 0.581 2.952 7.610 228 2HD1 ILE 26 2HD1 ILE 26 0.487 4.508 8.434 229 3HD1 ILE 26 3HD1 ILE 26 0.074 4.389 6.723 230 H LYS 27 H LYS 27 -2.834 6.936 10.549 231 HA LYS 27 HA LYS 27 -4.747 8.572 9.106 232 1HB LYS 27 1HB LYS 27 -4.678 7.332 11.642 233 2HB LYS 27 2HB LYS 27 -4.746 9.062 11.958 234 1HG LYS 27 1HG LYS 27 -6.611 7.586 10.075 235 2HG LYS 27 2HG LYS 27 -7.011 8.032 11.732 236 1HD LYS 27 1HD LYS 27 -7.435 10.185 11.159 237 2HD LYS 27 2HD LYS 27 -5.965 10.303 10.196 238 1HE LYS 27 1HE LYS 27 -8.077 10.573 8.858 239 2HE LYS 27 2HE LYS 27 -7.046 9.255 8.300 240 1HZ LYS 27 1HZ LYS 27 -9.176 8.756 10.274 241 2HZ LYS 27 2HZ LYS 27 -8.440 7.668 9.198 242 3HZ LYS 27 3HZ LYS 27 -9.543 8.823 8.621 243 H ASP 28 H ASP 28 -2.825 9.469 11.960 244 HA ASP 28 HA ASP 28 -2.796 12.158 11.759 245 1HB ASP 28 1HB ASP 28 -1.598 10.725 13.474 246 2HB ASP 28 2HB ASP 28 -0.261 10.620 12.331 247 H ILE 29 H ILE 29 -0.082 10.278 10.400 248 HA ILE 29 HA ILE 29 1.167 12.224 8.954 249 HB ILE 29 HB ILE 29 0.698 9.344 8.153 250 1HG1 ILE 29 1HG1 ILE 29 3.116 10.678 9.403 251 2HG1 ILE 29 2HG1 ILE 29 1.867 9.861 10.344 252 1HG2 ILE 29 1HG2 ILE 29 2.868 9.789 6.834 253 2HG2 ILE 29 2HG2 ILE 29 2.490 11.500 7.023 254 3HG2 ILE 29 3HG2 ILE 29 1.377 10.441 6.157 255 1HD1 ILE 29 1HD1 ILE 29 3.680 8.297 9.930 256 2HD1 ILE 29 2HD1 ILE 29 3.610 8.621 8.200 257 3HD1 ILE 29 3HD1 ILE 29 2.273 7.794 8.996 258 H ASN 30 H ASN 30 1.169 12.653 6.600 259 HA ASN 30 HA ASN 30 -1.104 12.112 4.984 260 1HB ASN 30 1HB ASN 30 -2.095 13.702 6.679 261 2HB ASN 30 2HB ASN 30 -0.998 14.934 6.061 262 1HD2 ASN 30 1HD2 ASN 30 -2.833 16.203 5.236 263 2HD2 ASN 30 2HD2 ASN 30 -3.674 15.706 3.847 264 H ARG 31 H ARG 31 1.563 11.877 4.481 265 HA ARG 31 HA ARG 31 1.993 13.978 2.450 266 1HB ARG 31 1HB ARG 31 3.493 14.306 4.449 267 2HB ARG 31 2HB ARG 31 4.201 12.735 4.095 268 1HG ARG 31 1HG ARG 31 5.589 14.451 3.078 269 2HG ARG 31 2HG ARG 31 4.774 13.549 1.801 270 1HD ARG 31 1HD ARG 31 4.801 16.200 1.774 271 2HD ARG 31 2HD ARG 31 3.372 15.312 1.256 272 HE ARG 31 HE ARG 31 3.492 16.069 4.081 273 1HH1 ARG 31 1HH1 ARG 31 2.347 16.692 0.872 274 2HH1 ARG 31 2HH1 ARG 31 1.037 17.700 1.391 275 1HH2 ARG 31 1HH2 ARG 31 1.780 17.390 4.762 276 2HH2 ARG 31 2HH2 ARG 31 0.716 18.096 3.591 277 H PHE 32 H PHE 32 1.800 13.018 0.565 278 HA PHE 32 HA PHE 32 3.356 10.620 -0.052 279 1HB PHE 32 1HB PHE 32 1.520 9.310 -0.791 280 2HB PHE 32 2HB PHE 32 1.043 9.912 0.798 281 HD1 PHE 32 HD1 PHE 32 0.193 9.771 -2.689 282 HD2 PHE 32 HD2 PHE 32 -0.361 12.068 0.898 283 HE1 PHE 32 HE1 PHE 32 -1.803 10.849 -3.688 284 HE2 PHE 32 HE2 PHE 32 -2.359 13.145 -0.102 285 HZ PHE 32 HZ PHE 32 -3.081 12.536 -2.394 286 H VAL 33 H VAL 33 3.797 10.426 -2.268 287 HA VAL 33 HA VAL 33 2.567 12.336 -4.110 288 HB VAL 33 HB VAL 33 4.815 13.143 -4.868 289 1HG1 VAL 33 1HG1 VAL 33 4.272 13.746 -1.951 290 2HG1 VAL 33 2HG1 VAL 33 3.291 14.391 -3.267 291 3HG1 VAL 33 3HG1 VAL 33 4.999 14.814 -3.151 292 1HG2 VAL 33 1HG2 VAL 33 5.707 11.843 -2.273 293 2HG2 VAL 33 2HG2 VAL 33 6.708 12.855 -3.316 294 3HG2 VAL 33 3HG2 VAL 33 6.136 11.290 -3.892 295 H PHE 34 H PHE 34 2.639 11.720 -6.218 296 HA PHE 34 HA PHE 34 4.189 9.316 -6.936 297 1HB PHE 34 1HB PHE 34 2.307 8.232 -7.894 298 2HB PHE 34 2HB PHE 34 1.759 8.795 -6.316 299 HD1 PHE 34 HD1 PHE 34 0.906 8.650 -9.705 300 HD2 PHE 34 HD2 PHE 34 0.840 11.315 -6.339 301 HE1 PHE 34 HE1 PHE 34 -0.903 9.965 -10.783 302 HE2 PHE 34 HE2 PHE 34 -0.968 12.632 -7.415 303 HZ PHE 34 HZ PHE 34 -1.840 11.955 -9.636 304 H LYS 35 H LYS 35 5.325 11.445 -7.688 305 HA LYS 35 HA LYS 35 4.390 12.063 -10.434 306 1HB LYS 35 1HB LYS 35 4.390 13.916 -8.571 307 2HB LYS 35 2HB LYS 35 6.126 13.951 -8.873 308 1HG LYS 35 1HG LYS 35 5.430 15.506 -10.444 309 2HG LYS 35 2HG LYS 35 5.327 14.041 -11.418 310 1HD LYS 35 1HD LYS 35 2.920 13.836 -10.808 311 2HD LYS 35 2HD LYS 35 3.041 15.354 -9.917 312 1HE LYS 35 1HE LYS 35 2.200 15.991 -12.037 313 2HE LYS 35 2HE LYS 35 3.921 16.366 -12.122 314 1HZ LYS 35 1HZ LYS 35 3.585 13.702 -12.879 315 2HZ LYS 35 2HZ LYS 35 4.085 15.008 -13.843 316 3HZ LYS 35 3HZ LYS 35 2.437 14.613 -13.732 317 H ASN 36 H ASN 36 5.696 10.071 -10.856 318 HA ASN 36 HA ASN 36 8.111 10.714 -12.119 319 1HB ASN 36 1HB ASN 36 8.343 9.778 -9.295 320 2HB ASN 36 2HB ASN 36 9.469 9.094 -10.464 321 1HD2 ASN 36 1HD2 ASN 36 10.108 11.187 -12.122 322 2HD2 ASN 36 2HD2 ASN 36 10.767 12.479 -11.240 323 H ASN 37 H ASN 37 6.442 8.174 -10.317 324 HA ASN 37 HA ASN 37 5.487 6.562 -12.204 325 1HB ASN 37 1HB ASN 37 7.383 4.820 -12.508 326 2HB ASN 37 2HB ASN 37 7.429 6.276 -13.496 327 1HD2 ASN 37 1HD2 ASN 37 8.142 6.896 -10.187 328 2HD2 ASN 37 2HD2 ASN 37 9.832 6.963 -10.334 329 H VAL 38 H VAL 38 7.112 6.933 -9.253 330 HA VAL 38 HA VAL 38 5.945 4.408 -8.225 331 HB VAL 38 HB VAL 38 8.400 5.867 -7.214 332 1HG1 VAL 38 1HG1 VAL 38 8.624 3.515 -6.065 333 2HG1 VAL 38 2HG1 VAL 38 6.884 3.420 -6.330 334 3HG1 VAL 38 3HG1 VAL 38 7.558 4.724 -5.351 335 1HG2 VAL 38 1HG2 VAL 38 8.188 3.223 -8.686 336 2HG2 VAL 38 2HG2 VAL 38 9.668 4.048 -8.197 337 3HG2 VAL 38 3HG2 VAL 38 8.648 4.742 -9.455 338 H LEU 39 H LEU 39 5.749 4.593 -5.710 339 HA LEU 39 HA LEU 39 4.540 7.209 -5.051 340 1HB LEU 39 1HB LEU 39 3.459 4.432 -4.579 341 2HB LEU 39 2HB LEU 39 2.914 5.818 -3.636 342 HG LEU 39 HG LEU 39 2.639 6.899 -6.060 343 1HD1 LEU 39 1HD1 LEU 39 1.900 5.255 -7.697 344 2HD1 LEU 39 2HD1 LEU 39 2.221 3.948 -6.556 345 3HD1 LEU 39 3HD1 LEU 39 3.553 4.899 -7.203 346 1HD2 LEU 39 1HD2 LEU 39 0.720 4.937 -4.775 347 2HD2 LEU 39 2HD2 LEU 39 0.272 6.069 -6.051 348 3HD2 LEU 39 3HD2 LEU 39 0.805 6.675 -4.484 349 H LEU 40 H LEU 40 5.427 8.119 -3.313 350 HA LEU 40 HA LEU 40 6.749 6.370 -1.325 351 1HB LEU 40 1HB LEU 40 7.705 8.713 -2.792 352 2HB LEU 40 2HB LEU 40 7.851 8.936 -1.052 353 HG LEU 40 HG LEU 40 8.762 6.331 -2.246 354 1HD1 LEU 40 1HD1 LEU 40 10.145 8.998 -2.500 355 2HD1 LEU 40 2HD1 LEU 40 9.942 7.740 -3.718 356 3HD1 LEU 40 3HD1 LEU 40 11.079 7.506 -2.391 357 1HD2 LEU 40 1HD2 LEU 40 9.729 8.093 0.033 358 2HD2 LEU 40 2HD2 LEU 40 10.401 6.518 -0.392 359 3HD2 LEU 40 3HD2 LEU 40 8.744 6.638 0.198 360 H ILE 41 H ILE 41 6.467 6.847 0.836 361 HA ILE 41 HA ILE 41 4.597 9.020 1.539 362 HB ILE 41 HB ILE 41 4.275 6.100 2.283 363 1HG1 ILE 41 1HG1 ILE 41 2.329 8.016 0.974 364 2HG1 ILE 41 2HG1 ILE 41 3.376 6.933 0.058 365 1HG2 ILE 41 1HG2 ILE 41 2.235 7.030 3.528 366 2HG2 ILE 41 2HG2 ILE 41 3.003 8.611 3.385 367 3HG2 ILE 41 3HG2 ILE 41 3.805 7.318 4.277 368 1HD1 ILE 41 1HD1 ILE 41 2.392 4.988 1.160 369 2HD1 ILE 41 2HD1 ILE 41 1.112 5.963 0.438 370 3HD1 ILE 41 3HD1 ILE 41 1.402 6.035 2.176 371 H LEU 42 H LEU 42 5.133 10.034 3.400 372 HA LEU 42 HA LEU 42 7.632 9.511 4.640 373 1HB LEU 42 1HB LEU 42 5.312 11.297 5.361 374 2HB LEU 42 2HB LEU 42 6.764 11.207 6.349 375 HG LEU 42 HG LEU 42 6.701 13.071 4.595 376 1HD1 LEU 42 1HD1 LEU 42 8.783 11.948 5.710 377 2HD1 LEU 42 2HD1 LEU 42 9.014 12.985 4.307 378 3HD1 LEU 42 3HD1 LEU 42 9.034 11.236 4.118 379 1HD2 LEU 42 1HD2 LEU 42 7.338 10.801 2.694 380 2HD2 LEU 42 2HD2 LEU 42 7.125 12.506 2.302 381 3HD2 LEU 42 3HD2 LEU 42 5.741 11.541 2.808 382 H LEU 43 H LEU 43 8.172 8.321 6.361 383 HA LEU 43 HA LEU 43 6.286 7.624 8.423 384 1HB LEU 43 1HB LEU 43 5.810 5.946 6.585 385 2HB LEU 43 2HB LEU 43 7.457 5.353 6.810 386 HG LEU 43 HG LEU 43 6.766 5.198 9.346 387 1HD1 LEU 43 1HD1 LEU 43 4.075 5.049 7.948 388 2HD1 LEU 43 2HD1 LEU 43 4.582 6.332 9.044 389 3HD1 LEU 43 3HD1 LEU 43 4.373 4.690 9.648 390 1HD2 LEU 43 1HD2 LEU 43 5.493 3.212 7.452 391 2HD2 LEU 43 2HD2 LEU 43 6.197 2.903 9.038 392 3HD2 LEU 43 3HD2 LEU 43 7.238 3.307 7.676 393 H GLU 44 H GLU 44 7.682 8.426 9.932 394 HA GLU 44 HA GLU 44 10.475 7.562 9.940 395 1HB GLU 44 1HB GLU 44 10.579 9.074 11.976 396 2HB GLU 44 2HB GLU 44 10.163 9.870 10.458 397 1HG GLU 44 1HG GLU 44 7.844 9.954 11.026 398 2HG GLU 44 2HG GLU 44 8.066 8.852 12.383 399 H ASN 45 H ASN 45 7.472 6.966 11.621 400 HA ASN 45 HA ASN 45 8.215 5.873 14.013 401 1HB ASN 45 1HB ASN 45 6.072 5.163 12.044 402 2HB ASN 45 2HB ASN 45 6.308 4.136 13.457 403 1HD2 ASN 45 1HD2 ASN 45 6.084 7.676 12.728 404 2HD2 ASN 45 2HD2 ASN 45 5.143 8.036 14.095 405 H GLU 46 H GLU 46 9.787 4.496 14.487 406 HA GLU 46 HA GLU 46 11.082 2.806 12.649 407 1HB GLU 46 1HB GLU 46 12.240 3.487 14.635 408 2HB GLU 46 2HB GLU 46 11.000 2.780 15.671 409 1HG GLU 46 1HG GLU 46 11.619 0.564 15.090 410 2HG GLU 46 2HG GLU 46 12.558 1.105 13.701 411 H PHE 47 H PHE 47 8.358 2.244 14.815 412 HA PHE 47 HA PHE 47 8.354 -0.608 14.447 413 1HB PHE 47 1HB PHE 47 6.622 1.400 15.800 414 2HB PHE 47 2HB PHE 47 5.857 -0.117 15.327 415 HD1 PHE 47 HD1 PHE 47 6.791 -2.295 16.146 416 HD2 PHE 47 HD2 PHE 47 8.200 1.493 17.601 417 HE1 PHE 47 HE1 PHE 47 7.825 -3.429 18.094 418 HE2 PHE 47 HE2 PHE 47 9.234 0.359 19.549 419 HZ PHE 47 HZ PHE 47 9.047 -2.102 19.796 420 H ALA 48 H ALA 48 5.715 1.639 13.664 421 HA ALA 48 HA ALA 48 4.286 0.211 11.898 422 1HB ALA 48 1HB ALA 48 3.597 2.442 12.399 423 2HB ALA 48 2HB ALA 48 3.837 2.369 10.655 424 3HB ALA 48 3HB ALA 48 5.056 3.121 11.681 425 H ARG 49 H ARG 49 7.454 1.557 11.278 426 HA ARG 49 HA ARG 49 7.343 0.948 8.435 427 1HB ARG 49 1HB ARG 49 8.583 2.919 9.512 428 2HB ARG 49 2HB ARG 49 9.794 1.735 10.003 429 1HG ARG 49 1HG ARG 49 10.378 1.215 7.784 430 2HG ARG 49 2HG ARG 49 8.882 1.877 7.129 431 1HD ARG 49 1HD ARG 49 10.260 3.638 6.617 432 2HD ARG 49 2HD ARG 49 9.871 4.117 8.264 433 HE ARG 49 HE ARG 49 12.058 3.606 8.879 434 1HH1 ARG 49 1HH1 ARG 49 11.281 2.326 5.762 435 2HH1 ARG 49 2HH1 ARG 49 12.907 1.861 5.393 436 1HH2 ARG 49 1HH2 ARG 49 14.196 3.000 8.404 437 2HH2 ARG 49 2HH2 ARG 49 14.560 2.242 6.890 438 H ASN 50 H ASN 50 8.704 -0.393 11.378 439 HA ASN 50 HA ASN 50 10.528 -2.205 10.359 440 1HB ASN 50 1HB ASN 50 10.334 -1.830 12.729 441 2HB ASN 50 2HB ASN 50 8.687 -2.455 12.741 442 1HD2 ASN 50 1HD2 ASN 50 12.100 -3.402 12.392 443 2HD2 ASN 50 2HD2 ASN 50 11.835 -5.059 12.648 444 H SER 51 H SER 51 7.039 -2.501 10.814 445 HA SER 51 HA SER 51 6.922 -5.214 9.746 446 1HB SER 51 1HB SER 51 5.256 -3.479 11.373 447 2HB SER 51 2HB SER 51 4.333 -4.291 10.113 448 HG SER 51 HG SER 51 5.531 -6.236 10.845 449 H LEU 52 H LEU 52 5.561 -2.012 8.890 450 HA LEU 52 HA LEU 52 4.084 -2.692 6.693 451 1HB LEU 52 1HB LEU 52 5.695 -0.249 7.337 452 2HB LEU 52 2HB LEU 52 4.936 -0.385 5.754 453 HG LEU 52 HG LEU 52 3.459 -0.712 8.385 454 1HD1 LEU 52 1HD1 LEU 52 3.827 1.661 6.551 455 2HD1 LEU 52 2HD1 LEU 52 4.061 1.581 8.297 456 3HD1 LEU 52 3HD1 LEU 52 2.434 1.528 7.623 457 1HD2 LEU 52 1HD2 LEU 52 1.592 -0.096 6.492 458 2HD2 LEU 52 2HD2 LEU 52 2.013 -1.746 6.940 459 3HD2 LEU 52 3HD2 LEU 52 2.742 -1.007 5.515 460 H ASN 53 H ASN 53 7.552 -1.779 6.539 461 HA ASN 53 HA ASN 53 7.731 -2.545 3.794 462 1HB ASN 53 1HB ASN 53 10.030 -1.979 3.940 463 2HB ASN 53 2HB ASN 53 9.207 -0.859 5.023 464 1HD2 ASN 53 1HD2 ASN 53 12.002 -1.595 5.313 465 2HD2 ASN 53 2HD2 ASN 53 12.158 -2.423 6.786 466 H ASP 54 H ASP 54 7.591 -4.386 6.607 467 HA ASP 54 HA ASP 54 9.378 -6.498 5.809 468 1HB ASP 54 1HB ASP 54 8.523 -5.974 8.188 469 2HB ASP 54 2HB ASP 54 7.056 -6.822 7.706 470 H ASN 55 H ASN 55 6.024 -5.676 5.347 471 HA ASN 55 HA ASN 55 5.725 -7.487 3.150 472 1HB ASN 55 1HB ASN 55 3.910 -8.844 4.126 473 2HB ASN 55 2HB ASN 55 5.430 -9.100 4.981 474 1HD2 ASN 55 1HD2 ASN 55 2.606 -9.382 6.016 475 2HD2 ASN 55 2HD2 ASN 55 2.525 -8.346 7.358 476 H SER 56 H SER 56 5.043 -5.669 2.018 477 HA SER 56 HA SER 56 2.318 -4.788 2.609 478 1HB SER 56 1HB SER 56 4.737 -3.009 2.657 479 2HB SER 56 2HB SER 56 3.167 -2.366 2.199 480 HG SER 56 HG SER 56 4.088 -2.811 4.623 481 H GLU 57 H GLU 57 2.047 -6.102 0.658 482 HA GLU 57 HA GLU 57 3.149 -5.158 -1.840 483 1HB GLU 57 1HB GLU 57 1.509 -6.836 -2.804 484 2HB GLU 57 2HB GLU 57 2.719 -7.503 -1.709 485 1HG GLU 57 1HG GLU 57 0.078 -6.593 -0.600 486 2HG GLU 57 2HG GLU 57 0.182 -8.155 -1.410 487 H ILE 58 H ILE 58 2.024 -3.021 -0.700 488 HA ILE 58 HA ILE 58 -0.678 -2.517 -1.117 489 HB ILE 58 HB ILE 58 1.479 -0.454 -1.588 490 1HG1 ILE 58 1HG1 ILE 58 2.162 -1.601 0.404 491 2HG1 ILE 58 2HG1 ILE 58 1.361 -0.120 0.923 492 1HG2 ILE 58 1HG2 ILE 58 -0.239 0.947 -0.321 493 2HG2 ILE 58 2HG2 ILE 58 -1.356 -0.400 -0.541 494 3HG2 ILE 58 3HG2 ILE 58 -0.698 0.439 -1.945 495 1HD1 ILE 58 1HD1 ILE 58 -0.787 -1.549 1.056 496 2HD1 ILE 58 2HD1 ILE 58 0.428 -1.798 2.310 497 3HD1 ILE 58 3HD1 ILE 58 0.291 -2.942 0.976 498 H ILE 59 H ILE 59 1.458 -3.447 -3.445 499 HA ILE 59 HA ILE 59 0.314 -1.827 -5.602 500 HB ILE 59 HB ILE 59 2.668 -2.248 -5.798 501 1HG1 ILE 59 1HG1 ILE 59 1.523 -4.324 -7.660 502 2HG1 ILE 59 2HG1 ILE 59 1.059 -2.632 -7.841 503 1HG2 ILE 59 1HG2 ILE 59 1.883 -5.120 -5.282 504 2HG2 ILE 59 2HG2 ILE 59 2.994 -4.112 -4.355 505 3HG2 ILE 59 3HG2 ILE 59 3.451 -4.681 -5.960 506 1HD1 ILE 59 1HD1 ILE 59 3.064 -3.351 -9.224 507 2HD1 ILE 59 2HD1 ILE 59 3.943 -3.544 -7.707 508 3HD1 ILE 59 3HD1 ILE 59 3.339 -1.957 -8.180 509 H HIS 60 H HIS 60 -0.669 -4.339 -3.836 510 HA HIS 60 HA HIS 60 -1.768 -6.129 -5.885 511 1HB HIS 60 1HB HIS 60 -1.589 -6.037 -2.919 512 2HB HIS 60 2HB HIS 60 -2.980 -6.867 -3.610 513 HD1 HIS 60 HD1 HIS 60 0.650 -6.761 -4.791 514 HD2 HIS 60 HD2 HIS 60 -2.248 -9.530 -3.646 515 HE1 HIS 60 HE1 HIS 60 1.668 -9.052 -5.147 516 HE2 HIS 60 HE2 HIS 60 -0.088 -10.751 -4.455 517 H LEU 61 H LEU 61 -2.802 -3.293 -4.140 518 HA LEU 61 HA LEU 61 -5.480 -3.651 -5.361 519 1HB LEU 61 1HB LEU 61 -5.378 -1.904 -2.997 520 2HB LEU 61 2HB LEU 61 -6.528 -3.172 -3.415 521 HG LEU 61 HG LEU 61 -4.525 -4.785 -2.833 522 1HD1 LEU 61 1HD1 LEU 61 -3.850 -2.488 -0.995 523 2HD1 LEU 61 2HD1 LEU 61 -3.026 -2.679 -2.540 524 3HD1 LEU 61 3HD1 LEU 61 -2.915 -3.946 -1.321 525 1HD2 LEU 61 1HD2 LEU 61 -5.247 -4.591 -0.366 526 2HD2 LEU 61 2HD2 LEU 61 -6.518 -4.897 -1.550 527 3HD2 LEU 61 3HD2 LEU 61 -6.287 -3.272 -0.905 528 H ALA 62 H ALA 62 -2.942 -1.465 -4.336 529 HA ALA 62 HA ALA 62 -4.000 0.977 -5.183 530 1HB ALA 62 1HB ALA 62 -1.108 0.096 -5.308 531 2HB ALA 62 2HB ALA 62 -1.915 0.694 -3.858 532 3HB ALA 62 3HB ALA 62 -1.702 1.756 -5.249 533 H GLU 63 H GLU 63 -3.739 -1.643 -7.126 534 HA GLU 63 HA GLU 63 -2.568 -0.329 -9.409 535 1HB GLU 63 1HB GLU 63 -4.151 -2.911 -9.340 536 2HB GLU 63 2HB GLU 63 -3.125 -2.356 -10.661 537 1HG GLU 63 1HG GLU 63 -1.606 -2.312 -8.210 538 2HG GLU 63 2HG GLU 63 -2.363 -3.893 -8.391 539 H SER 64 H SER 64 -5.518 -2.067 -9.821 540 HA SER 64 HA SER 64 -7.016 -1.115 -11.567 541 1HB SER 64 1HB SER 64 -7.997 -2.208 -9.555 542 2HB SER 64 2HB SER 64 -8.053 -0.632 -8.770 543 HG SER 64 HG SER 64 -9.462 -1.576 -11.022 544 H LEU 65 H LEU 65 -6.979 1.102 -8.749 545 HA LEU 65 HA LEU 65 -8.120 3.298 -9.838 546 1HB LEU 65 1HB LEU 65 -7.365 3.256 -7.523 547 2HB LEU 65 2HB LEU 65 -5.682 3.290 -8.043 548 HG LEU 65 HG LEU 65 -5.967 5.503 -9.013 549 1HD1 LEU 65 1HD1 LEU 65 -8.871 4.973 -8.415 550 2HD1 LEU 65 2HD1 LEU 65 -8.137 5.574 -9.901 551 3HD1 LEU 65 3HD1 LEU 65 -8.276 6.630 -8.498 552 1HD2 LEU 65 1HD2 LEU 65 -6.913 5.069 -6.190 553 2HD2 LEU 65 2HD2 LEU 65 -6.902 6.700 -6.856 554 3HD2 LEU 65 3HD2 LEU 65 -5.406 5.779 -6.761 555 H TYR 66 H TYR 66 -4.870 2.138 -10.500 556 HA TYR 66 HA TYR 66 -4.547 4.312 -12.495 557 1HB TYR 66 1HB TYR 66 -2.303 2.708 -11.264 558 2HB TYR 66 2HB TYR 66 -2.185 4.191 -12.205 559 HD1 TYR 66 HD1 TYR 66 -2.102 6.264 -11.110 560 HD2 TYR 66 HD2 TYR 66 -3.657 2.840 -9.041 561 HE1 TYR 66 HE1 TYR 66 -2.225 7.588 -9.016 562 HE2 TYR 66 HE2 TYR 66 -3.785 4.163 -6.942 563 HH TYR 66 HH TYR 66 -2.612 7.521 -6.821 564 H GLU 67 H GLU 67 -2.629 3.398 -14.072 565 HA GLU 67 HA GLU 67 -3.920 1.303 -15.560 566 1HB GLU 67 1HB GLU 67 -2.070 1.616 -17.154 567 2HB GLU 67 2HB GLU 67 -2.789 3.162 -16.700 568 1HG GLU 67 1HG GLU 67 -0.973 3.300 -14.894 569 2HG GLU 67 2HG GLU 67 -0.185 1.969 -15.739 570 H GLY 68 H GLY 68 -1.285 1.526 -13.298 571 1HA GLY 68 1HA GLY 68 -1.141 -1.053 -12.489 572 2HA GLY 68 2HA GLY 68 -0.166 -1.064 -13.956 573 H ILE 69 H ILE 69 -0.483 0.355 -10.739 574 HA ILE 69 HA ILE 69 1.674 2.020 -10.556 575 HB ILE 69 HB ILE 69 0.806 -0.040 -8.517 576 1HG1 ILE 69 1HG1 ILE 69 -0.894 1.674 -9.414 577 2HG1 ILE 69 2HG1 ILE 69 -0.671 1.599 -7.671 578 1HG2 ILE 69 1HG2 ILE 69 2.952 0.733 -7.847 579 2HG2 ILE 69 2HG2 ILE 69 1.801 1.692 -6.920 580 3HG2 ILE 69 3HG2 ILE 69 2.593 2.389 -8.332 581 1HD1 ILE 69 1HD1 ILE 69 0.165 3.703 -7.566 582 2HD1 ILE 69 2HD1 ILE 69 -0.548 3.905 -9.163 583 3HD1 ILE 69 3HD1 ILE 69 1.157 3.489 -9.008 584 H LYS 70 H LYS 70 3.871 1.820 -10.091 585 HA LYS 70 HA LYS 70 5.109 -0.601 -11.129 586 1HB LYS 70 1HB LYS 70 5.839 1.842 -11.605 587 2HB LYS 70 2HB LYS 70 6.590 1.771 -10.011 588 1HG LYS 70 1HG LYS 70 8.352 1.014 -11.319 589 2HG LYS 70 2HG LYS 70 7.570 -0.520 -10.937 590 1HD LYS 70 1HD LYS 70 6.185 -0.085 -13.107 591 2HD LYS 70 2HD LYS 70 7.463 1.064 -13.499 592 1HE LYS 70 1HE LYS 70 8.192 -0.952 -14.491 593 2HE LYS 70 2HE LYS 70 9.098 -0.873 -12.981 594 1HZ LYS 70 1HZ LYS 70 6.539 -2.337 -13.330 595 2HZ LYS 70 2HZ LYS 70 7.533 -2.341 -11.952 596 3HZ LYS 70 3HZ LYS 70 8.072 -3.059 -13.394 597 H SER 71 H SER 71 4.845 1.166 -8.084 598 HA SER 71 HA SER 71 5.137 -1.116 -6.469 599 1HB SER 71 1HB SER 71 7.575 -0.546 -7.472 600 2HB SER 71 2HB SER 71 7.590 0.518 -6.071 601 HG SER 71 HG SER 71 8.170 -1.946 -6.007 602 H VAL 72 H VAL 72 5.893 -0.327 -4.127 603 HA VAL 72 HA VAL 72 5.010 2.400 -3.539 604 HB VAL 72 HB VAL 72 3.686 0.002 -2.241 605 1HG1 VAL 72 1HG1 VAL 72 3.831 1.946 -0.778 606 2HG1 VAL 72 2HG1 VAL 72 2.168 1.770 -1.336 607 3HG1 VAL 72 3HG1 VAL 72 3.215 2.993 -2.057 608 1HG2 VAL 72 1HG2 VAL 72 2.848 0.125 -4.489 609 2HG2 VAL 72 2HG2 VAL 72 2.749 1.885 -4.421 610 3HG2 VAL 72 3HG2 VAL 72 1.640 0.902 -3.465 611 H ASN 73 H ASN 73 5.806 3.181 -1.582 612 HA ASN 73 HA ASN 73 7.074 1.487 0.359 613 1HB ASN 73 1HB ASN 73 8.675 1.509 -1.650 614 2HB ASN 73 2HB ASN 73 8.977 3.194 -1.233 615 1HD2 ASN 73 1HD2 ASN 73 8.438 0.384 0.953 616 2HD2 ASN 73 2HD2 ASN 73 9.930 0.533 1.750 617 H PHE 74 H PHE 74 8.176 2.674 2.038 618 HA PHE 74 HA PHE 74 7.553 5.545 2.196 619 1HB PHE 74 1HB PHE 74 7.022 4.506 4.764 620 2HB PHE 74 2HB PHE 74 5.854 5.184 3.637 621 HD1 PHE 74 HD1 PHE 74 4.064 3.827 3.003 622 HD2 PHE 74 HD2 PHE 74 7.778 2.001 4.156 623 HE1 PHE 74 HE1 PHE 74 3.047 1.582 2.722 624 HE2 PHE 74 HE2 PHE 74 6.761 -0.243 3.876 625 HZ PHE 74 HZ PHE 74 4.397 -0.453 3.158 626 H VAL 75 H VAL 75 8.927 6.699 3.598 627 HA VAL 75 HA VAL 75 10.942 5.274 5.130 628 HB VAL 75 HB VAL 75 12.606 6.928 3.688 629 1HG1 VAL 75 1HG1 VAL 75 13.023 4.579 4.378 630 2HG1 VAL 75 2HG1 VAL 75 13.464 4.863 2.695 631 3HG1 VAL 75 3HG1 VAL 75 11.960 4.030 3.083 632 1HG2 VAL 75 1HG2 VAL 75 12.122 6.686 1.357 633 2HG2 VAL 75 2HG2 VAL 75 10.635 7.270 2.106 634 3HG2 VAL 75 3HG2 VAL 75 10.800 5.565 1.683 635 H ASN 76 H ASN 76 12.756 7.277 5.548 636 HA ASN 76 HA ASN 76 11.180 9.125 7.155 637 1HB ASN 76 1HB ASN 76 13.756 9.845 7.628 638 2HB ASN 76 2HB ASN 76 12.926 8.552 8.487 639 1HD2 ASN 76 1HD2 ASN 76 15.788 9.165 6.963 640 2HD2 ASN 76 2HD2 ASN 76 16.165 7.604 6.414 641 H GLU 77 H GLU 77 11.675 11.394 7.229 642 HA GLU 77 HA GLU 77 11.175 12.827 5.016 643 1HB GLU 77 1HB GLU 77 11.919 13.443 7.607 644 2HB GLU 77 2HB GLU 77 13.182 14.209 6.647 645 1HG GLU 77 1HG GLU 77 10.204 14.564 6.184 646 2HG GLU 77 2HG GLU 77 11.235 15.714 7.031 647 H GLN 78 H GLN 78 14.546 12.776 6.209 648 HA GLN 78 HA GLN 78 15.777 13.827 4.008 649 1HB GLN 78 1HB GLN 78 16.707 11.732 5.967 650 2HB GLN 78 2HB GLN 78 17.763 12.332 4.687 651 1HG GLN 78 1HG GLN 78 18.066 13.600 6.797 652 2HG GLN 78 2HG GLN 78 17.478 14.629 5.492 653 1HE2 GLN 78 1HE2 GLN 78 16.239 16.139 6.699 654 2HE2 GLN 78 2HE2 GLN 78 14.921 15.698 7.673 655 H ASP 79 H ASP 79 15.286 10.352 4.598 656 HA ASP 79 HA ASP 79 16.325 9.372 2.223 657 1HB ASP 79 1HB ASP 79 14.162 8.427 4.065 658 2HB ASP 79 2HB ASP 79 14.439 7.570 2.547 659 H PHE 80 H PHE 80 12.803 9.796 2.770 660 HA PHE 80 HA PHE 80 11.881 9.529 0.219 661 1HB PHE 80 1HB PHE 80 10.135 9.952 1.655 662 2HB PHE 80 2HB PHE 80 11.028 11.180 2.549 663 HD1 PHE 80 HD1 PHE 80 9.864 10.659 -0.987 664 HD2 PHE 80 HD2 PHE 80 10.207 13.354 2.339 665 HE1 PHE 80 HE1 PHE 80 8.747 12.431 -2.309 666 HE2 PHE 80 HE2 PHE 80 9.087 15.126 1.017 667 HZ PHE 80 HZ PHE 80 8.356 14.666 -1.307 668 H PHE 81 H PHE 81 13.257 12.470 1.666 669 HA PHE 81 HA PHE 81 12.953 14.201 -0.491 670 1HB PHE 81 1HB PHE 81 13.959 14.523 1.955 671 2HB PHE 81 2HB PHE 81 15.485 14.340 1.089 672 HD1 PHE 81 HD1 PHE 81 12.184 16.083 0.657 673 HD2 PHE 81 HD2 PHE 81 16.453 16.282 0.227 674 HE1 PHE 81 HE1 PHE 81 11.990 18.411 -0.174 675 HE2 PHE 81 HE2 PHE 81 16.260 18.612 -0.602 676 HZ PHE 81 HZ PHE 81 14.030 19.676 -0.801 677 H PHE 82 H PHE 82 15.969 12.475 0.365 678 HA PHE 82 HA PHE 82 17.578 12.899 -1.716 679 1HB PHE 82 1HB PHE 82 17.941 11.225 0.143 680 2HB PHE 82 2HB PHE 82 17.006 10.072 -0.811 681 HD1 PHE 82 HD1 PHE 82 20.059 12.192 -0.802 682 HD2 PHE 82 HD2 PHE 82 17.943 8.985 -2.724 683 HE1 PHE 82 HE1 PHE 82 22.075 11.669 -2.149 684 HE2 PHE 82 HE2 PHE 82 19.959 8.462 -4.070 685 HZ PHE 82 HZ PHE 82 22.025 9.803 -3.783 686 H ASN 83 H ASN 83 14.653 10.927 -1.849 687 HA ASN 83 HA ASN 83 15.093 10.040 -4.553 688 1HB ASN 83 1HB ASN 83 13.616 8.906 -2.793 689 2HB ASN 83 2HB ASN 83 12.434 10.168 -3.130 690 1HD2 ASN 83 1HD2 ASN 83 11.334 10.121 -5.191 691 2HD2 ASN 83 2HD2 ASN 83 11.469 8.802 -6.252 692 H LEU 84 H LEU 84 12.945 12.434 -3.028 693 HA LEU 84 HA LEU 84 12.015 13.489 -5.531 694 1HB LEU 84 1HB LEU 84 10.571 13.601 -3.595 695 2HB LEU 84 2HB LEU 84 11.797 14.463 -2.671 696 HG LEU 84 HG LEU 84 11.629 16.382 -4.194 697 1HD1 LEU 84 1HD1 LEU 84 9.767 14.514 -5.658 698 2HD1 LEU 84 2HD1 LEU 84 11.097 15.474 -6.304 699 3HD1 LEU 84 3HD1 LEU 84 9.596 16.261 -5.823 700 1HD2 LEU 84 1HD2 LEU 84 8.835 15.521 -3.412 701 2HD2 LEU 84 2HD2 LEU 84 9.480 17.161 -3.484 702 3HD2 LEU 84 3HD2 LEU 84 10.032 16.051 -2.229 703 H ALA 85 H ALA 85 14.765 13.989 -3.539 704 HA ALA 85 HA ALA 85 15.279 16.671 -4.525 705 1HB ALA 85 1HB ALA 85 15.896 15.711 -2.190 706 2HB ALA 85 2HB ALA 85 17.065 16.744 -3.012 707 3HB ALA 85 3HB ALA 85 17.272 14.992 -3.025 708 H LYS 86 H LYS 86 16.535 13.395 -4.970 709 HA LYS 86 HA LYS 86 18.643 14.160 -6.748 710 1HB LYS 86 1HB LYS 86 18.653 12.057 -5.421 711 2HB LYS 86 2HB LYS 86 17.322 11.457 -6.413 712 1HG LYS 86 1HG LYS 86 18.660 11.424 -8.379 713 2HG LYS 86 2HG LYS 86 19.918 12.410 -7.632 714 1HD LYS 86 1HD LYS 86 20.499 10.604 -6.110 715 2HD LYS 86 2HD LYS 86 19.159 9.625 -6.706 716 1HE LYS 86 1HE LYS 86 21.344 10.633 -8.534 717 2HE LYS 86 2HE LYS 86 21.473 9.097 -7.678 718 1HZ LYS 86 1HZ LYS 86 19.145 8.682 -8.671 719 2HZ LYS 86 2HZ LYS 86 20.512 8.485 -9.661 720 3HZ LYS 86 3HZ LYS 86 19.571 9.896 -9.776 721 H LEU 87 H LEU 87 15.828 12.093 -7.474 722 HA LEU 87 HA LEU 87 14.531 11.897 -9.357 723 1HB LEU 87 1HB LEU 87 14.871 14.718 -8.903 724 2HB LEU 87 2HB LEU 87 14.874 14.420 -10.639 725 HG LEU 87 HG LEU 87 12.780 13.012 -10.283 726 1HD1 LEU 87 1HD1 LEU 87 13.079 14.264 -7.544 727 2HD1 LEU 87 2HD1 LEU 87 12.833 12.565 -7.943 728 3HD1 LEU 87 3HD1 LEU 87 11.519 13.717 -8.159 729 1HD2 LEU 87 1HD2 LEU 87 11.317 15.008 -10.139 730 2HD2 LEU 87 2HD2 LEU 87 12.702 15.300 -11.193 731 3HD2 LEU 87 3HD2 LEU 87 12.684 15.959 -9.556 732 H GLU 88 H GLU 88 16.977 14.188 -10.552 733 HA GLU 88 HA GLU 88 18.003 12.086 -12.357 734 1HB GLU 88 1HB GLU 88 17.382 14.941 -13.153 735 2HB GLU 88 2HB GLU 88 18.091 13.704 -14.191 736 1HG GLU 88 1HG GLU 88 16.025 12.298 -13.734 737 2HG GLU 88 2HG GLU 88 15.316 13.727 -12.983 738 H GLU 89 H GLU 89 20.090 12.910 -13.443 739 HA GLU 89 HA GLU 89 21.941 13.571 -11.370 740 1HB GLU 89 1HB GLU 89 22.518 13.650 -14.330 741 2HB GLU 89 2HB GLU 89 23.630 13.291 -13.009 742 1HG GLU 89 1HG GLU 89 21.289 11.586 -13.902 743 2HG GLU 89 2HG GLU 89 22.998 11.209 -14.109 744 H ASN 90 H ASN 90 20.101 15.411 -13.631 745 HA ASN 90 HA ASN 90 21.211 17.884 -12.557 746 1HB ASN 90 1HB ASN 90 21.137 17.493 -15.549 747 2HB ASN 90 2HB ASN 90 21.849 18.828 -14.645 748 1HD2 ASN 90 1HD2 ASN 90 22.650 15.978 -16.240 749 2HD2 ASN 90 2HD2 ASN 90 24.132 15.662 -15.475 750 H SER 91 H SER 91 19.916 18.843 -15.330 751 HA SER 91 HA SER 91 17.123 18.774 -14.354 752 1HB SER 91 1HB SER 91 16.907 21.106 -15.240 753 2HB SER 91 2HB SER 91 17.997 20.971 -13.863 754 HG SER 91 HG SER 91 18.573 22.050 -16.110 755 H ARG 92 H ARG 92 19.280 18.121 -16.824 756 HA ARG 92 HA ARG 92 19.071 17.803 -19.118 757 1HB ARG 92 1HB ARG 92 16.556 16.476 -18.080 758 2HB ARG 92 2HB ARG 92 17.344 16.134 -19.621 759 1HG ARG 92 1HG ARG 92 19.443 15.585 -18.286 760 2HG ARG 92 2HG ARG 92 18.432 15.641 -16.841 761 1HD ARG 92 1HD ARG 92 18.639 13.333 -17.697 762 2HD ARG 92 2HD ARG 92 16.973 13.899 -17.778 763 HE ARG 92 HE ARG 92 17.095 13.667 -20.076 764 1HH1 ARG 92 1HH1 ARG 92 20.263 13.971 -18.717 765 2HH1 ARG 92 2HH1 ARG 92 21.082 13.719 -20.223 766 1HH2 ARG 92 1HH2 ARG 92 18.162 13.336 -22.053 767 2HH2 ARG 92 2HH2 ARG 92 19.893 13.359 -22.110 768 H ASP 93 H ASP 93 18.780 19.854 -19.988 769 HA ASP 93 HA ASP 93 15.976 20.559 -20.638 770 1HB ASP 93 1HB ASP 93 16.744 22.944 -20.642 771 2HB ASP 93 2HB ASP 93 16.783 22.186 -19.051 772 H THR 94 H THR 94 15.542 20.976 -22.738 773 HA THR 94 HA THR 94 17.568 20.340 -24.696 774 HB THR 94 HB THR 94 15.206 19.615 -24.949 775 HG1 THR 94 HG1 THR 94 16.279 21.382 -26.883 776 1HG2 THR 94 1HG2 THR 94 14.346 21.853 -23.992 777 2HG2 THR 94 2HG2 THR 94 13.453 21.151 -25.340 778 3HG2 THR 94 3HG2 THR 94 14.570 22.486 -25.623 779 H LEU 95 H LEU 95 18.840 21.731 -25.738 780 HA LEU 95 HA LEU 95 18.558 24.583 -25.252 781 1HB LEU 95 1HB LEU 95 20.626 22.870 -26.624 782 2HB LEU 95 2HB LEU 95 20.670 24.629 -26.730 783 HG LEU 95 HG LEU 95 20.739 24.798 -24.283 784 1HD1 LEU 95 1HD1 LEU 95 20.447 21.801 -24.480 785 2HD1 LEU 95 2HD1 LEU 95 19.510 22.935 -23.508 786 3HD1 LEU 95 3HD1 LEU 95 21.171 22.553 -23.059 787 1HD2 LEU 95 1HD2 LEU 95 22.775 22.792 -25.304 788 2HD2 LEU 95 2HD2 LEU 95 22.983 23.895 -23.945 789 3HD2 LEU 95 3HD2 LEU 95 22.858 24.532 -25.584 790 H TYR 96 H TYR 96 19.449 25.750 -27.534 791 HA TYR 96 HA TYR 96 17.094 25.713 -29.179 792 1HB TYR 96 1HB TYR 96 19.021 27.593 -28.602 793 2HB TYR 96 2HB TYR 96 19.454 27.125 -30.244 794 HD1 TYR 96 HD1 TYR 96 17.318 26.832 -31.869 795 HD2 TYR 96 HD2 TYR 96 17.454 29.302 -28.356 796 HE1 TYR 96 HE1 TYR 96 15.440 28.189 -32.749 797 HE2 TYR 96 HE2 TYR 96 15.576 30.659 -29.239 798 HH TYR 96 HH TYR 96 13.523 29.904 -31.192 799 H GLN 97 H GLN 97 18.374 23.192 -29.146 800 HA GLN 97 HA GLN 97 18.915 22.883 -32.018 801 1HB GLN 97 1HB GLN 97 20.644 21.587 -29.901 802 2HB GLN 97 2HB GLN 97 20.859 21.512 -31.650 803 1HG GLN 97 1HG GLN 97 21.133 24.010 -31.656 804 2HG GLN 97 2HG GLN 97 21.105 23.968 -29.895 805 1HE2 GLN 97 1HE2 GLN 97 23.424 24.952 -31.018 806 2HE2 GLN 97 2HE2 GLN 97 24.677 23.814 -30.897 807 H ASN 98 H ASN 98 17.185 21.681 -32.550 808 HA ASN 98 HA ASN 98 17.019 18.966 -31.775 809 1HB ASN 98 1HB ASN 98 14.750 19.148 -30.639 810 2HB ASN 98 2HB ASN 98 16.135 19.669 -29.681 811 1HD2 ASN 98 1HD2 ASN 98 13.094 20.561 -29.978 812 2HD2 ASN 98 2HD2 ASN 98 13.225 22.253 -29.990 813 H SER 99 H SER 99 15.863 17.857 -33.262 814 HA SER 99 HA SER 99 13.706 19.104 -34.747 815 1HB SER 99 1HB SER 99 14.809 18.665 -36.957 816 2HB SER 99 2HB SER 99 15.559 19.961 -36.029 817 HG SER 99 HG SER 99 16.447 17.337 -36.517 818 H GLY 100 H GLY 100 12.208 17.582 -34.966 819 1HA GLY 100 1HA GLY 100 11.205 15.539 -35.323 820 2HA GLY 100 2HA GLY 100 12.725 14.995 -36.024 Start of MODEL 18 1 H MET 1 H MET 1 -8.928 15.466 -8.525 2 HA MET 1 HA MET 1 -10.085 15.020 -6.474 3 1HB MET 1 1HB MET 1 -12.487 15.191 -7.483 4 2HB MET 1 2HB MET 1 -11.329 16.472 -7.840 5 1HG MET 1 1HG MET 1 -10.787 15.429 -9.987 6 2HG MET 1 2HG MET 1 -11.868 14.084 -9.630 7 1HE MET 1 1HE MET 1 -12.549 14.949 -12.196 8 2HE MET 1 2HE MET 1 -11.641 16.450 -12.028 9 3HE MET 1 3HE MET 1 -13.339 16.503 -12.496 10 H GLU 2 H GLU 2 -10.856 12.704 -9.058 11 HA GLU 2 HA GLU 2 -12.219 10.936 -7.181 12 1HB GLU 2 1HB GLU 2 -11.683 10.787 -10.151 13 2HB GLU 2 2HB GLU 2 -12.459 9.487 -9.246 14 1HG GLU 2 1HG GLU 2 -14.268 10.947 -8.574 15 2HG GLU 2 2HG GLU 2 -13.456 12.346 -9.275 16 H GLN 3 H GLN 3 -9.330 10.901 -9.253 17 HA GLN 3 HA GLN 3 -8.298 8.428 -8.912 18 1HB GLN 3 1HB GLN 3 -7.189 10.332 -10.100 19 2HB GLN 3 2HB GLN 3 -6.657 10.937 -8.530 20 1HG GLN 3 1HG GLN 3 -5.375 8.943 -8.111 21 2HG GLN 3 2HG GLN 3 -6.059 8.139 -9.522 22 1HE2 GLN 3 1HE2 GLN 3 -3.575 7.972 -9.996 23 2HE2 GLN 3 2HE2 GLN 3 -2.892 9.258 -10.868 24 H PHE 4 H PHE 4 -7.148 10.992 -6.741 25 HA PHE 4 HA PHE 4 -6.045 9.433 -4.780 26 1HB PHE 4 1HB PHE 4 -7.557 12.039 -4.520 27 2HB PHE 4 2HB PHE 4 -6.665 11.307 -3.186 28 HD1 PHE 4 HD1 PHE 4 -6.308 12.566 -6.681 29 HD2 PHE 4 HD2 PHE 4 -4.314 11.526 -3.022 30 HE1 PHE 4 HE1 PHE 4 -4.198 13.530 -7.557 31 HE2 PHE 4 HE2 PHE 4 -2.204 12.490 -3.898 32 HZ PHE 4 HZ PHE 4 -2.146 13.493 -6.165 33 H ASN 5 H ASN 5 -9.433 10.443 -5.034 34 HA ASN 5 HA ASN 5 -10.302 9.141 -2.667 35 1HB ASN 5 1HB ASN 5 -11.488 10.997 -3.956 36 2HB ASN 5 2HB ASN 5 -12.026 9.740 -5.067 37 1HD2 ASN 5 1HD2 ASN 5 -12.916 11.373 -2.256 38 2HD2 ASN 5 2HD2 ASN 5 -14.019 10.239 -1.643 39 H ALA 6 H ALA 6 -9.618 7.977 -5.866 40 HA ALA 6 HA ALA 6 -11.254 5.588 -5.569 41 1HB ALA 6 1HB ALA 6 -9.433 6.672 -7.694 42 2HB ALA 6 2HB ALA 6 -11.140 6.246 -7.804 43 3HB ALA 6 3HB ALA 6 -9.918 4.977 -7.730 44 H PHE 7 H PHE 7 -7.774 6.055 -6.226 45 HA PHE 7 HA PHE 7 -6.930 3.500 -5.551 46 1HB PHE 7 1HB PHE 7 -5.293 4.804 -6.576 47 2HB PHE 7 2HB PHE 7 -5.597 6.190 -5.536 48 HD1 PHE 7 HD1 PHE 7 -4.855 2.569 -4.866 49 HD2 PHE 7 HD2 PHE 7 -3.723 6.663 -4.227 50 HE1 PHE 7 HE1 PHE 7 -3.037 1.830 -3.351 51 HE2 PHE 7 HE2 PHE 7 -1.903 5.923 -2.713 52 HZ PHE 7 HZ PHE 7 -1.561 3.506 -2.275 53 H LYS 8 H LYS 8 -7.444 6.310 -3.468 54 HA LYS 8 HA LYS 8 -6.442 5.068 -1.090 55 1HB LYS 8 1HB LYS 8 -6.623 7.558 -1.553 56 2HB LYS 8 2HB LYS 8 -8.348 7.397 -1.220 57 1HG LYS 8 1HG LYS 8 -7.590 6.221 0.972 58 2HG LYS 8 2HG LYS 8 -6.021 6.958 0.648 59 1HD LYS 8 1HD LYS 8 -8.670 8.375 1.045 60 2HD LYS 8 2HD LYS 8 -7.240 8.474 2.071 61 1HE LYS 8 1HE LYS 8 -7.565 9.543 -0.743 62 2HE LYS 8 2HE LYS 8 -7.253 10.462 0.728 63 1HZ LYS 8 1HZ LYS 8 -5.136 9.164 0.913 64 2HZ LYS 8 2HZ LYS 8 -5.204 10.251 -0.392 65 3HZ LYS 8 3HZ LYS 8 -5.423 8.587 -0.656 66 H SER 9 H SER 9 -9.729 5.591 -2.414 67 HA SER 9 HA SER 9 -11.052 4.633 -0.143 68 1HB SER 9 1HB SER 9 -12.389 5.784 -1.755 69 2HB SER 9 2HB SER 9 -11.882 4.704 -3.052 70 HG SER 9 HG SER 9 -13.359 3.333 -2.452 71 H LEU 10 H LEU 10 -9.305 3.031 -2.650 72 HA LEU 10 HA LEU 10 -10.466 0.450 -2.406 73 1HB LEU 10 1HB LEU 10 -8.755 1.484 -4.175 74 2HB LEU 10 2HB LEU 10 -7.566 0.778 -3.082 75 HG LEU 10 HG LEU 10 -9.816 -0.657 -4.523 76 1HD1 LEU 10 1HD1 LEU 10 -7.895 -0.367 -5.932 77 2HD1 LEU 10 2HD1 LEU 10 -7.826 -2.024 -5.334 78 3HD1 LEU 10 3HD1 LEU 10 -6.791 -0.787 -4.622 79 1HD2 LEU 10 1HD2 LEU 10 -7.997 -1.555 -2.277 80 2HD2 LEU 10 2HD2 LEU 10 -8.756 -2.702 -3.381 81 3HD2 LEU 10 3HD2 LEU 10 -9.755 -1.669 -2.363 82 H LEU 11 H LEU 11 -7.646 2.040 -0.919 83 HA LEU 11 HA LEU 11 -6.672 -0.049 0.614 84 1HB LEU 11 1HB LEU 11 -6.871 2.906 1.223 85 2HB LEU 11 2HB LEU 11 -6.049 1.776 2.295 86 HG LEU 11 HG LEU 11 -5.369 1.961 -0.646 87 1HD1 LEU 11 1HD1 LEU 11 -3.913 3.386 1.595 88 2HD1 LEU 11 2HD1 LEU 11 -5.103 4.187 0.568 89 3HD1 LEU 11 3HD1 LEU 11 -3.627 3.529 -0.139 90 1HD2 LEU 11 1HD2 LEU 11 -4.097 0.773 1.825 91 2HD2 LEU 11 2HD2 LEU 11 -3.131 1.143 0.398 92 3HD2 LEU 11 3HD2 LEU 11 -4.455 -0.012 0.288 93 H LYS 12 H LYS 12 -9.086 2.381 1.640 94 HA LYS 12 HA LYS 12 -9.856 1.605 4.092 95 1HB LYS 12 1HB LYS 12 -11.780 2.007 1.789 96 2HB LYS 12 2HB LYS 12 -12.197 2.093 3.500 97 1HG LYS 12 1HG LYS 12 -10.456 3.905 3.748 98 2HG LYS 12 2HG LYS 12 -10.289 3.899 1.993 99 1HD LYS 12 1HD LYS 12 -11.851 5.650 2.576 100 2HD LYS 12 2HD LYS 12 -12.761 4.341 1.823 101 1HE LYS 12 1HE LYS 12 -13.802 3.742 3.800 102 2HE LYS 12 2HE LYS 12 -12.446 4.267 4.798 103 1HZ LYS 12 1HZ LYS 12 -14.038 5.873 5.184 104 2HZ LYS 12 2HZ LYS 12 -14.581 5.888 3.574 105 3HZ LYS 12 3HZ LYS 12 -13.092 6.597 3.976 106 H LYS 13 H LYS 13 -10.872 -0.148 1.167 107 HA LYS 13 HA LYS 13 -12.432 -2.162 2.250 108 1HB LYS 13 1HB LYS 13 -10.436 -2.309 -0.005 109 2HB LYS 13 2HB LYS 13 -11.622 -3.551 0.355 110 1HG LYS 13 1HG LYS 13 -12.556 -0.717 0.039 111 2HG LYS 13 2HG LYS 13 -12.170 -1.646 -1.406 112 1HD LYS 13 1HD LYS 13 -14.058 -2.627 0.755 113 2HD LYS 13 2HD LYS 13 -14.594 -1.777 -0.690 114 1HE LYS 13 1HE LYS 13 -13.079 -3.664 -1.872 115 2HE LYS 13 2HE LYS 13 -13.524 -4.546 -0.411 116 1HZ LYS 13 1HZ LYS 13 -15.306 -5.023 -1.701 117 2HZ LYS 13 2HZ LYS 13 -15.213 -3.579 -2.589 118 3HZ LYS 13 3HZ LYS 13 -15.874 -3.576 -1.024 119 H HIS 14 H HIS 14 -8.906 -2.178 1.850 120 HA HIS 14 HA HIS 14 -8.716 -4.684 3.378 121 1HB HIS 14 1HB HIS 14 -7.404 -4.101 1.188 122 2HB HIS 14 2HB HIS 14 -6.347 -3.205 2.277 123 HD1 HIS 14 HD1 HIS 14 -4.765 -4.546 3.751 124 HD2 HIS 14 HD2 HIS 14 -7.515 -6.956 1.749 125 HE1 HIS 14 HE1 HIS 14 -4.033 -6.940 4.135 126 HE2 HIS 14 HE2 HIS 14 -5.701 -8.421 2.921 127 H TYR 15 H TYR 15 -7.592 -1.292 3.733 128 HA TYR 15 HA TYR 15 -6.263 -1.925 6.192 129 1HB TYR 15 1HB TYR 15 -6.612 0.402 4.469 130 2HB TYR 15 2HB TYR 15 -6.747 0.829 6.173 131 HD1 TYR 15 HD1 TYR 15 -4.748 1.477 7.182 132 HD2 TYR 15 HD2 TYR 15 -4.659 -1.506 4.089 133 HE1 TYR 15 HE1 TYR 15 -2.287 1.305 7.417 134 HE2 TYR 15 HE2 TYR 15 -2.198 -1.676 4.327 135 HH TYR 15 HH TYR 15 -0.521 -0.580 6.913 136 H GLU 16 H GLU 16 -9.239 -2.509 5.794 137 HA GLU 16 HA GLU 16 -10.551 -0.804 7.731 138 1HB GLU 16 1HB GLU 16 -11.896 -1.701 5.937 139 2HB GLU 16 2HB GLU 16 -11.410 -3.348 6.334 140 1HG GLU 16 1HG GLU 16 -12.611 -3.313 8.392 141 2HG GLU 16 2HG GLU 16 -12.827 -1.565 8.320 142 H LYS 17 H LYS 17 -9.416 -4.170 7.596 143 HA LYS 17 HA LYS 17 -10.108 -4.695 10.341 144 1HB LYS 17 1HB LYS 17 -8.191 -6.316 8.673 145 2HB LYS 17 2HB LYS 17 -9.247 -6.863 9.976 146 1HG LYS 17 1HG LYS 17 -11.225 -6.306 8.579 147 2HG LYS 17 2HG LYS 17 -10.143 -5.845 7.264 148 1HD LYS 17 1HD LYS 17 -9.172 -8.151 7.319 149 2HD LYS 17 2HD LYS 17 -10.387 -8.592 8.521 150 1HE LYS 17 1HE LYS 17 -11.040 -9.203 6.176 151 2HE LYS 17 2HE LYS 17 -12.184 -8.115 6.962 152 1HZ LYS 17 1HZ LYS 17 -10.014 -6.844 5.512 153 2HZ LYS 17 2HZ LYS 17 -11.659 -6.427 5.596 154 3HZ LYS 17 3HZ LYS 17 -11.146 -7.667 4.556 155 H THR 18 H THR 18 -7.550 -3.128 8.767 156 HA THR 18 HA THR 18 -5.640 -3.631 10.946 157 HB THR 18 HB THR 18 -4.859 -1.765 8.797 158 HG1 THR 18 HG1 THR 18 -5.175 -3.057 7.168 159 1HG2 THR 18 1HG2 THR 18 -3.449 -3.036 10.601 160 2HG2 THR 18 2HG2 THR 18 -2.811 -2.889 8.964 161 3HG2 THR 18 3HG2 THR 18 -3.568 -4.395 9.482 162 H ILE 19 H ILE 19 -8.204 -1.917 10.925 163 HA ILE 19 HA ILE 19 -7.498 0.799 11.155 164 HB ILE 19 HB ILE 19 -9.832 -0.229 10.975 165 1HG1 ILE 19 1HG1 ILE 19 -9.555 1.780 13.220 166 2HG1 ILE 19 2HG1 ILE 19 -9.227 2.207 11.540 167 1HG2 ILE 19 1HG2 ILE 19 -9.361 -1.758 12.992 168 2HG2 ILE 19 2HG2 ILE 19 -10.930 -0.955 12.951 169 3HG2 ILE 19 3HG2 ILE 19 -9.648 -0.332 13.988 170 1HD1 ILE 19 1HD1 ILE 19 -11.833 1.138 12.658 171 2HD1 ILE 19 2HD1 ILE 19 -11.516 1.379 10.940 172 3HD1 ILE 19 3HD1 ILE 19 -11.539 2.761 12.035 173 H GLY 20 H GLY 20 -6.303 -1.661 12.927 174 1HA GLY 20 1HA GLY 20 -6.320 -0.296 15.527 175 2HA GLY 20 2HA GLY 20 -5.676 -1.903 15.198 176 H PHE 21 H PHE 21 -3.801 -1.877 13.545 177 HA PHE 21 HA PHE 21 -1.588 -0.588 14.599 178 1HB PHE 21 1HB PHE 21 -1.258 -2.383 13.038 179 2HB PHE 21 2HB PHE 21 -2.175 -1.549 11.788 180 HD1 PHE 21 HD1 PHE 21 -1.115 -0.067 10.284 181 HD2 PHE 21 HD2 PHE 21 0.931 -1.322 13.846 182 HE1 PHE 21 HE1 PHE 21 0.970 0.990 9.459 183 HE2 PHE 21 HE2 PHE 21 3.016 -0.263 13.021 184 HZ PHE 21 HZ PHE 21 3.035 0.892 10.827 185 H HIS 22 H HIS 22 -3.996 0.496 12.333 186 HA HIS 22 HA HIS 22 -2.702 2.867 11.448 187 1HB HIS 22 1HB HIS 22 -4.572 1.996 10.187 188 2HB HIS 22 2HB HIS 22 -5.622 2.086 11.600 189 HD1 HIS 22 HD1 HIS 22 -5.979 4.619 12.570 190 HD2 HIS 22 HD2 HIS 22 -4.582 4.307 8.655 191 HE1 HIS 22 HE1 HIS 22 -6.400 6.866 11.478 192 HE2 HIS 22 HE2 HIS 22 -5.549 6.692 9.091 193 H ASP 23 H ASP 23 -5.579 2.668 13.565 194 HA ASP 23 HA ASP 23 -5.586 5.158 14.632 195 1HB ASP 23 1HB ASP 23 -6.977 2.964 15.189 196 2HB ASP 23 2HB ASP 23 -5.889 2.904 16.573 197 H LYS 24 H LYS 24 -3.309 2.603 15.320 198 HA LYS 24 HA LYS 24 -2.092 3.957 17.584 199 1HB LYS 24 1HB LYS 24 -2.318 1.400 17.207 200 2HB LYS 24 2HB LYS 24 -0.940 1.590 16.130 201 1HG LYS 24 1HG LYS 24 0.080 1.108 18.189 202 2HG LYS 24 2HG LYS 24 0.163 2.867 18.107 203 1HD LYS 24 1HD LYS 24 -2.309 2.453 19.286 204 2HD LYS 24 2HD LYS 24 -1.344 1.144 19.968 205 1HE LYS 24 1HE LYS 24 0.420 2.854 20.544 206 2HE LYS 24 2HE LYS 24 -0.715 4.107 20.046 207 1HZ LYS 24 1HZ LYS 24 -2.066 3.723 21.816 208 2HZ LYS 24 2HZ LYS 24 -0.583 3.288 22.519 209 3HZ LYS 24 3HZ LYS 24 -1.641 2.087 21.950 210 H TYR 25 H TYR 25 -0.424 2.613 14.745 211 HA TYR 25 HA TYR 25 1.646 4.548 15.069 212 1HB TYR 25 1HB TYR 25 1.124 2.349 13.095 213 2HB TYR 25 2HB TYR 25 2.446 3.489 12.837 214 HD1 TYR 25 HD1 TYR 25 1.181 0.747 14.918 215 HD2 TYR 25 HD2 TYR 25 4.306 3.658 14.455 216 HE1 TYR 25 HE1 TYR 25 2.569 -0.481 16.564 217 HE2 TYR 25 HE2 TYR 25 5.694 2.429 16.101 218 HH TYR 25 HH TYR 25 5.600 -0.354 16.870 219 H ILE 26 H ILE 26 -0.135 3.840 12.063 220 HA ILE 26 HA ILE 26 0.453 6.227 10.771 221 HB ILE 26 HB ILE 26 -2.174 4.794 10.412 222 1HG1 ILE 26 1HG1 ILE 26 -0.515 3.035 10.505 223 2HG1 ILE 26 2HG1 ILE 26 -0.875 3.327 8.804 224 1HG2 ILE 26 1HG2 ILE 26 -0.277 6.124 8.458 225 2HG2 ILE 26 2HG2 ILE 26 -1.719 6.886 9.131 226 3HG2 ILE 26 3HG2 ILE 26 -1.874 5.470 8.090 227 1HD1 ILE 26 1HD1 ILE 26 1.492 3.234 8.901 228 2HD1 ILE 26 2HD1 ILE 26 1.550 4.196 10.377 229 3HD1 ILE 26 3HD1 ILE 26 1.121 4.958 8.846 230 H LYS 27 H LYS 27 -2.552 5.433 12.520 231 HA LYS 27 HA LYS 27 -4.213 6.804 13.345 232 1HB LYS 27 1HB LYS 27 -2.431 7.101 15.028 233 2HB LYS 27 2HB LYS 27 -1.792 8.460 14.104 234 1HG LYS 27 1HG LYS 27 -3.900 9.679 14.389 235 2HG LYS 27 2HG LYS 27 -4.595 8.307 15.252 236 1HD LYS 27 1HD LYS 27 -2.636 8.540 16.889 237 2HD LYS 27 2HD LYS 27 -2.330 10.104 16.133 238 1HE LYS 27 1HE LYS 27 -4.896 9.232 17.493 239 2HE LYS 27 2HE LYS 27 -3.749 10.434 18.087 240 1HZ LYS 27 1HZ LYS 27 -5.384 11.690 17.057 241 2HZ LYS 27 2HZ LYS 27 -5.565 10.601 15.767 242 3HZ LYS 27 3HZ LYS 27 -4.185 11.587 15.863 243 H ASP 28 H ASP 28 -2.145 9.582 12.814 244 HA ASP 28 HA ASP 28 -4.173 10.738 11.062 245 1HB ASP 28 1HB ASP 28 -2.125 11.727 12.897 246 2HB ASP 28 2HB ASP 28 -2.111 12.589 11.365 247 H ILE 29 H ILE 29 -0.769 11.504 10.781 248 HA ILE 29 HA ILE 29 0.548 11.681 8.894 249 HB ILE 29 HB ILE 29 -0.428 8.831 8.748 250 1HG1 ILE 29 1HG1 ILE 29 0.727 9.396 10.838 251 2HG1 ILE 29 2HG1 ILE 29 1.729 8.335 9.852 252 1HG2 ILE 29 1HG2 ILE 29 1.757 10.288 7.262 253 2HG2 ILE 29 2HG2 ILE 29 0.462 9.290 6.598 254 3HG2 ILE 29 3HG2 ILE 29 1.790 8.538 7.484 255 1HD1 ILE 29 1HD1 ILE 29 2.112 11.212 10.534 256 2HD1 ILE 29 2HD1 ILE 29 2.640 10.686 8.936 257 3HD1 ILE 29 3HD1 ILE 29 3.305 9.925 10.379 258 H ASN 30 H ASN 30 0.084 12.872 7.166 259 HA ASN 30 HA ASN 30 -1.849 11.830 5.205 260 1HB ASN 30 1HB ASN 30 -2.956 13.510 6.754 261 2HB ASN 30 2HB ASN 30 -1.870 14.721 6.074 262 1HD2 ASN 30 1HD2 ASN 30 -4.632 15.042 5.674 263 2HD2 ASN 30 2HD2 ASN 30 -5.005 14.741 4.044 264 H ARG 31 H ARG 31 1.026 11.862 5.146 265 HA ARG 31 HA ARG 31 1.459 13.765 2.920 266 1HB ARG 31 1HB ARG 31 2.796 13.920 5.252 267 2HB ARG 31 2HB ARG 31 3.809 12.741 4.428 268 1HG ARG 31 1HG ARG 31 4.662 14.967 3.951 269 2HG ARG 31 2HG ARG 31 3.967 14.298 2.476 270 1HD ARG 31 1HD ARG 31 2.268 15.831 2.431 271 2HD ARG 31 2HD ARG 31 2.079 15.827 4.181 272 HE ARG 31 HE ARG 31 3.848 17.544 2.622 273 1HH1 ARG 31 1HH1 ARG 31 2.940 16.244 5.698 274 2HH1 ARG 31 2HH1 ARG 31 3.654 17.533 6.608 275 1HH2 ARG 31 1HH2 ARG 31 4.782 19.239 3.808 276 2HH2 ARG 31 2HH2 ARG 31 4.697 19.230 5.538 277 H PHE 32 H PHE 32 1.477 12.727 1.081 278 HA PHE 32 HA PHE 32 3.199 10.442 0.599 279 1HB PHE 32 1HB PHE 32 1.415 8.951 -0.150 280 2HB PHE 32 2HB PHE 32 1.198 9.345 1.555 281 HD1 PHE 32 HD1 PHE 32 -0.345 11.370 2.104 282 HD2 PHE 32 HD2 PHE 32 -0.334 9.320 -1.671 283 HE1 PHE 32 HE1 PHE 32 -2.603 12.269 1.608 284 HE2 PHE 32 HE2 PHE 32 -2.592 10.217 -2.165 285 HZ PHE 32 HZ PHE 32 -3.726 11.692 -0.526 286 H VAL 33 H VAL 33 3.450 10.013 -1.643 287 HA VAL 33 HA VAL 33 1.973 11.664 -3.538 288 HB VAL 33 HB VAL 33 4.093 12.620 -4.487 289 1HG1 VAL 33 1HG1 VAL 33 2.493 13.798 -2.852 290 2HG1 VAL 33 2HG1 VAL 33 4.121 14.463 -2.982 291 3HG1 VAL 33 3HG1 VAL 33 3.692 13.448 -1.606 292 1HG2 VAL 33 1HG2 VAL 33 5.674 11.041 -3.477 293 2HG2 VAL 33 2HG2 VAL 33 5.210 11.580 -1.863 294 3HG2 VAL 33 3HG2 VAL 33 6.053 12.681 -2.951 295 H PHE 34 H PHE 34 2.265 11.076 -5.707 296 HA PHE 34 HA PHE 34 3.774 8.587 -6.206 297 1HB PHE 34 1HB PHE 34 1.495 7.854 -6.004 298 2HB PHE 34 2HB PHE 34 0.909 9.203 -6.964 299 HD1 PHE 34 HD1 PHE 34 0.003 8.338 -8.934 300 HD2 PHE 34 HD2 PHE 34 3.775 6.841 -7.528 301 HE1 PHE 34 HE1 PHE 34 0.245 6.995 -11.004 302 HE2 PHE 34 HE2 PHE 34 4.015 5.500 -9.596 303 HZ PHE 34 HZ PHE 34 2.250 5.575 -11.334 304 H LYS 35 H LYS 35 4.921 10.946 -6.779 305 HA LYS 35 HA LYS 35 4.520 11.290 -9.696 306 1HB LYS 35 1HB LYS 35 5.692 13.360 -7.840 307 2HB LYS 35 2HB LYS 35 5.114 13.580 -9.491 308 1HG LYS 35 1HG LYS 35 2.814 13.047 -8.748 309 2HG LYS 35 2HG LYS 35 3.398 12.865 -7.094 310 1HD LYS 35 1HD LYS 35 4.285 15.242 -7.268 311 2HD LYS 35 2HD LYS 35 3.380 15.381 -8.776 312 1HE LYS 35 1HE LYS 35 1.288 14.966 -7.642 313 2HE LYS 35 2HE LYS 35 2.124 14.573 -6.139 314 1HZ LYS 35 1HZ LYS 35 1.827 16.715 -5.655 315 2HZ LYS 35 2HZ LYS 35 1.472 17.140 -7.262 316 3HZ LYS 35 3HZ LYS 35 3.088 17.022 -6.747 317 H ASN 36 H ASN 36 6.085 9.244 -9.139 318 HA ASN 36 HA ASN 36 8.606 9.972 -10.218 319 1HB ASN 36 1HB ASN 36 8.785 10.688 -7.748 320 2HB ASN 36 2HB ASN 36 8.808 8.963 -7.385 321 1HD2 ASN 36 1HD2 ASN 36 10.299 8.157 -9.774 322 2HD2 ASN 36 2HD2 ASN 36 11.884 8.735 -9.583 323 H ASN 37 H ASN 37 6.535 8.118 -10.797 324 HA ASN 37 HA ASN 37 6.201 5.913 -11.357 325 1HB ASN 37 1HB ASN 37 9.224 6.007 -11.277 326 2HB ASN 37 2HB ASN 37 8.304 4.629 -11.879 327 1HD2 ASN 37 1HD2 ASN 37 9.487 5.225 -13.989 328 2HD2 ASN 37 2HD2 ASN 37 8.776 6.409 -14.976 329 H VAL 38 H VAL 38 6.876 6.821 -8.419 330 HA VAL 38 HA VAL 38 6.607 4.139 -7.298 331 HB VAL 38 HB VAL 38 8.789 6.030 -6.384 332 1HG1 VAL 38 1HG1 VAL 38 8.062 4.805 -4.495 333 2HG1 VAL 38 2HG1 VAL 38 9.431 3.876 -5.103 334 3HG1 VAL 38 3HG1 VAL 38 7.785 3.343 -5.441 335 1HG2 VAL 38 1HG2 VAL 38 10.265 4.120 -7.192 336 2HG2 VAL 38 2HG2 VAL 38 9.480 5.054 -8.464 337 3HG2 VAL 38 3HG2 VAL 38 8.841 3.475 -8.008 338 H LEU 39 H LEU 39 6.069 4.248 -4.946 339 HA LEU 39 HA LEU 39 4.637 6.763 -4.305 340 1HB LEU 39 1HB LEU 39 3.901 3.871 -3.952 341 2HB LEU 39 2HB LEU 39 3.275 5.064 -2.815 342 HG LEU 39 HG LEU 39 2.624 6.382 -5.001 343 1HD1 LEU 39 1HD1 LEU 39 3.803 4.787 -6.508 344 2HD1 LEU 39 2HD1 LEU 39 2.085 4.916 -6.879 345 3HD1 LEU 39 3HD1 LEU 39 2.695 3.521 -5.989 346 1HD2 LEU 39 1HD2 LEU 39 0.961 5.585 -3.439 347 2HD2 LEU 39 2HD2 LEU 39 1.199 3.918 -3.965 348 3HD2 LEU 39 3HD2 LEU 39 0.454 5.088 -5.054 349 H LEU 40 H LEU 40 5.483 7.829 -2.654 350 HA LEU 40 HA LEU 40 6.851 6.264 -0.543 351 1HB LEU 40 1HB LEU 40 7.593 8.829 -1.909 352 2HB LEU 40 2HB LEU 40 8.051 8.614 -0.221 353 HG LEU 40 HG LEU 40 8.618 6.310 -2.030 354 1HD1 LEU 40 1HD1 LEU 40 9.266 8.469 -3.297 355 2HD1 LEU 40 2HD1 LEU 40 10.524 7.256 -3.069 356 3HD1 LEU 40 3HD1 LEU 40 10.484 8.685 -2.041 357 1HD2 LEU 40 1HD2 LEU 40 10.650 6.224 -0.633 358 2HD2 LEU 40 2HD2 LEU 40 9.203 6.319 0.372 359 3HD2 LEU 40 3HD2 LEU 40 10.197 7.754 0.121 360 H ILE 41 H ILE 41 6.376 6.699 1.544 361 HA ILE 41 HA ILE 41 4.434 8.863 2.103 362 HB ILE 41 HB ILE 41 4.247 6.064 3.225 363 1HG1 ILE 41 1HG1 ILE 41 2.513 7.390 1.121 364 2HG1 ILE 41 2HG1 ILE 41 3.757 6.193 0.765 365 1HG2 ILE 41 1HG2 ILE 41 3.336 7.797 4.691 366 2HG2 ILE 41 2HG2 ILE 41 2.013 6.882 3.968 367 3HG2 ILE 41 3HG2 ILE 41 2.421 8.482 3.349 368 1HD1 ILE 41 1HD1 ILE 41 1.739 4.947 0.905 369 2HD1 ILE 41 2HD1 ILE 41 1.208 5.819 2.343 370 3HD1 ILE 41 3HD1 ILE 41 2.547 4.675 2.449 371 H LEU 42 H LEU 42 4.901 10.039 3.852 372 HA LEU 42 HA LEU 42 7.335 9.824 5.218 373 1HB LEU 42 1HB LEU 42 4.769 11.281 5.794 374 2HB LEU 42 2HB LEU 42 6.106 11.341 6.934 375 HG LEU 42 HG LEU 42 6.001 13.224 5.196 376 1HD1 LEU 42 1HD1 LEU 42 8.058 12.382 6.547 377 2HD1 LEU 42 2HD1 LEU 42 8.341 13.414 5.147 378 3HD1 LEU 42 3HD1 LEU 42 8.578 11.673 5.019 379 1HD2 LEU 42 1HD2 LEU 42 7.149 11.102 3.366 380 2HD2 LEU 42 2HD2 LEU 42 6.728 12.765 2.963 381 3HD2 LEU 42 3HD2 LEU 42 5.458 11.594 3.308 382 H LEU 43 H LEU 43 8.012 8.549 6.804 383 HA LEU 43 HA LEU 43 6.270 7.672 8.920 384 1HB LEU 43 1HB LEU 43 5.751 6.047 7.077 385 2HB LEU 43 2HB LEU 43 7.442 5.550 7.113 386 HG LEU 43 HG LEU 43 7.015 5.212 9.686 387 1HD1 LEU 43 1HD1 LEU 43 4.805 6.186 9.829 388 2HD1 LEU 43 2HD1 LEU 43 4.642 4.449 10.078 389 3HD1 LEU 43 3HD1 LEU 43 4.215 5.158 8.522 390 1HD2 LEU 43 1HD2 LEU 43 7.451 3.437 7.931 391 2HD2 LEU 43 2HD2 LEU 43 5.705 3.293 7.746 392 3HD2 LEU 43 3HD2 LEU 43 6.462 2.907 9.290 393 H GLU 44 H GLU 44 7.845 8.751 10.166 394 HA GLU 44 HA GLU 44 10.616 7.949 10.073 395 1HB GLU 44 1HB GLU 44 9.246 9.511 12.266 396 2HB GLU 44 2HB GLU 44 10.954 9.524 11.831 397 1HG GLU 44 1HG GLU 44 10.127 11.495 10.842 398 2HG GLU 44 2HG GLU 44 10.145 10.344 9.508 399 H ASN 45 H ASN 45 7.752 7.004 11.804 400 HA ASN 45 HA ASN 45 8.703 5.882 14.129 401 1HB ASN 45 1HB ASN 45 6.583 4.826 12.251 402 2HB ASN 45 2HB ASN 45 6.851 4.214 13.882 403 1HD2 ASN 45 1HD2 ASN 45 5.609 6.941 12.023 404 2HD2 ASN 45 2HD2 ASN 45 4.952 7.774 13.347 405 H GLU 46 H GLU 46 10.208 4.423 14.559 406 HA GLU 46 HA GLU 46 11.514 2.931 12.510 407 1HB GLU 46 1HB GLU 46 12.851 3.598 14.348 408 2HB GLU 46 2HB GLU 46 11.710 2.941 15.520 409 1HG GLU 46 1HG GLU 46 13.794 1.534 15.118 410 2HG GLU 46 2HG GLU 46 12.263 0.685 14.929 411 H PHE 47 H PHE 47 9.489 1.905 15.280 412 HA PHE 47 HA PHE 47 9.512 -0.827 14.726 413 1HB PHE 47 1HB PHE 47 8.413 0.714 16.679 414 2HB PHE 47 2HB PHE 47 6.965 0.252 15.786 415 HD1 PHE 47 HD1 PHE 47 7.321 -2.393 14.868 416 HD2 PHE 47 HD2 PHE 47 8.768 -0.669 18.527 417 HE1 PHE 47 HE1 PHE 47 7.404 -4.647 15.898 418 HE2 PHE 47 HE2 PHE 47 8.851 -2.924 19.557 419 HZ PHE 47 HZ PHE 47 8.169 -4.913 18.241 420 H ALA 48 H ALA 48 6.876 1.454 13.944 421 HA ALA 48 HA ALA 48 5.303 -0.215 12.406 422 1HB ALA 48 1HB ALA 48 4.242 1.796 12.568 423 2HB ALA 48 2HB ALA 48 5.032 2.118 11.026 424 3HB ALA 48 3HB ALA 48 5.748 2.706 12.525 425 H ARG 49 H ARG 49 7.753 2.013 11.060 426 HA ARG 49 HA ARG 49 7.689 1.145 8.446 427 1HB ARG 49 1HB ARG 49 9.046 3.057 9.518 428 2HB ARG 49 2HB ARG 49 10.281 1.837 9.814 429 1HG ARG 49 1HG ARG 49 10.653 1.471 7.526 430 2HG ARG 49 2HG ARG 49 9.092 2.143 7.060 431 1HD ARG 49 1HD ARG 49 9.832 4.324 7.203 432 2HD ARG 49 2HD ARG 49 11.004 3.959 8.465 433 HE ARG 49 HE ARG 49 11.446 3.818 5.605 434 1HH1 ARG 49 1HH1 ARG 49 12.394 2.749 8.757 435 2HH1 ARG 49 2HH1 ARG 49 14.014 2.354 8.289 436 1HH2 ARG 49 1HH2 ARG 49 13.572 3.303 4.983 437 2HH2 ARG 49 2HH2 ARG 49 14.681 2.669 6.151 438 H ASN 50 H ASN 50 9.577 -0.199 11.136 439 HA ASN 50 HA ASN 50 11.180 -1.978 9.877 440 1HB ASN 50 1HB ASN 50 10.902 -1.548 12.379 441 2HB ASN 50 2HB ASN 50 9.648 -2.785 12.341 442 1HD2 ASN 50 1HD2 ASN 50 12.849 -2.439 13.047 443 2HD2 ASN 50 2HD2 ASN 50 13.407 -3.988 12.631 444 H SER 51 H SER 51 7.937 -2.657 11.114 445 HA SER 51 HA SER 51 7.632 -5.236 9.926 446 1HB SER 51 1HB SER 51 6.170 -3.490 11.713 447 2HB SER 51 2HB SER 51 5.096 -4.281 10.564 448 HG SER 51 HG SER 51 6.528 -6.209 11.179 449 H LEU 52 H LEU 52 6.462 -1.986 9.012 450 HA LEU 52 HA LEU 52 4.694 -2.822 6.997 451 1HB LEU 52 1HB LEU 52 6.230 -0.290 7.487 452 2HB LEU 52 2HB LEU 52 5.323 -0.489 5.992 453 HG LEU 52 HG LEU 52 4.048 -1.013 8.681 454 1HD1 LEU 52 1HD1 LEU 52 4.228 1.616 7.181 455 2HD1 LEU 52 2HD1 LEU 52 4.905 1.269 8.772 456 3HD1 LEU 52 3HD1 LEU 52 3.157 1.313 8.548 457 1HD2 LEU 52 1HD2 LEU 52 2.034 -0.202 7.226 458 2HD2 LEU 52 2HD2 LEU 52 2.661 -1.824 6.952 459 3HD2 LEU 52 3HD2 LEU 52 3.099 -0.515 5.856 460 H ASN 53 H ASN 53 8.146 -1.949 6.802 461 HA ASN 53 HA ASN 53 8.280 -2.621 4.009 462 1HB ASN 53 1HB ASN 53 10.375 -2.010 6.101 463 2HB ASN 53 2HB ASN 53 10.806 -2.488 4.459 464 1HD2 ASN 53 1HD2 ASN 53 11.606 0.045 5.189 465 2HD2 ASN 53 2HD2 ASN 53 10.624 1.219 4.455 466 H ASP 54 H ASP 54 8.411 -4.387 6.946 467 HA ASP 54 HA ASP 54 10.009 -6.577 6.083 468 1HB ASP 54 1HB ASP 54 9.382 -6.091 8.468 469 2HB ASP 54 2HB ASP 54 7.753 -6.650 8.097 470 H ASN 55 H ASN 55 6.765 -5.544 5.605 471 HA ASN 55 HA ASN 55 6.228 -7.416 3.521 472 1HB ASN 55 1HB ASN 55 5.069 -7.913 6.248 473 2HB ASN 55 2HB ASN 55 4.127 -8.315 4.815 474 1HD2 ASN 55 1HD2 ASN 55 6.147 -9.737 6.991 475 2HD2 ASN 55 2HD2 ASN 55 6.854 -10.922 6.003 476 H SER 56 H SER 56 5.387 -5.910 2.187 477 HA SER 56 HA SER 56 2.894 -4.615 2.941 478 1HB SER 56 1HB SER 56 4.149 -2.826 3.709 479 2HB SER 56 2HB SER 56 5.470 -3.133 2.586 480 HG SER 56 HG SER 56 3.977 -2.484 0.905 481 H GLU 57 H GLU 57 2.190 -6.047 1.255 482 HA GLU 57 HA GLU 57 3.112 -5.496 -1.464 483 1HB GLU 57 1HB GLU 57 1.013 -7.435 -0.471 484 2HB GLU 57 2HB GLU 57 1.676 -7.361 -2.103 485 1HG GLU 57 1HG GLU 57 3.276 -7.921 0.412 486 2HG GLU 57 2HG GLU 57 2.769 -9.133 -0.764 487 H ILE 58 H ILE 58 2.024 -3.225 -0.494 488 HA ILE 58 HA ILE 58 -0.767 -2.943 -0.831 489 HB ILE 58 HB ILE 58 1.488 -0.941 -1.078 490 1HG1 ILE 58 1HG1 ILE 58 0.768 -2.175 1.155 491 2HG1 ILE 58 2HG1 ILE 58 1.103 -0.446 1.165 492 1HG2 ILE 58 1HG2 ILE 58 -0.277 0.020 -2.339 493 2HG2 ILE 58 2HG2 ILE 58 -0.445 0.726 -0.731 494 3HG2 ILE 58 3HG2 ILE 58 -1.509 -0.589 -1.235 495 1HD1 ILE 58 1HD1 ILE 58 -1.688 -1.456 0.645 496 2HD1 ILE 58 2HD1 ILE 58 -1.178 0.125 1.234 497 3HD1 ILE 58 3HD1 ILE 58 -1.087 -1.282 2.293 498 H ILE 59 H ILE 59 1.707 -3.477 -3.092 499 HA ILE 59 HA ILE 59 0.514 -2.144 -5.345 500 HB ILE 59 HB ILE 59 2.855 -2.550 -5.471 501 1HG1 ILE 59 1HG1 ILE 59 1.793 -4.823 -7.154 502 2HG1 ILE 59 2HG1 ILE 59 1.369 -3.153 -7.533 503 1HG2 ILE 59 1HG2 ILE 59 3.164 -4.249 -3.835 504 2HG2 ILE 59 2HG2 ILE 59 3.691 -4.971 -5.356 505 3HG2 ILE 59 3HG2 ILE 59 2.107 -5.372 -4.691 506 1HD1 ILE 59 1HD1 ILE 59 3.451 -4.116 -8.701 507 2HD1 ILE 59 2HD1 ILE 59 4.238 -4.010 -7.127 508 3HD1 ILE 59 3HD1 ILE 59 3.638 -2.551 -7.912 509 H HIS 60 H HIS 60 -0.573 -4.524 -3.503 510 HA HIS 60 HA HIS 60 -1.561 -6.490 -5.425 511 1HB HIS 60 1HB HIS 60 -1.809 -5.995 -2.483 512 2HB HIS 60 2HB HIS 60 -2.962 -7.053 -3.289 513 HD1 HIS 60 HD1 HIS 60 0.281 -7.148 -4.942 514 HD2 HIS 60 HD2 HIS 60 -1.486 -9.131 -1.727 515 HE1 HIS 60 HE1 HIS 60 1.674 -9.222 -4.526 516 HE2 HIS 60 HE2 HIS 60 0.610 -10.442 -2.569 517 H LEU 61 H LEU 61 -3.009 -3.824 -3.531 518 HA LEU 61 HA LEU 61 -5.516 -4.212 -5.020 519 1HB LEU 61 1HB LEU 61 -5.436 -2.042 -3.036 520 2HB LEU 61 2HB LEU 61 -6.575 -3.377 -3.203 521 HG LEU 61 HG LEU 61 -4.655 -4.862 -2.293 522 1HD1 LEU 61 1HD1 LEU 61 -2.770 -3.891 -1.479 523 2HD1 LEU 61 2HD1 LEU 61 -3.654 -2.535 -0.781 524 3HD1 LEU 61 3HD1 LEU 61 -3.215 -2.515 -2.487 525 1HD2 LEU 61 1HD2 LEU 61 -6.669 -4.386 -1.009 526 2HD2 LEU 61 2HD2 LEU 61 -6.053 -2.793 -0.570 527 3HD2 LEU 61 3HD2 LEU 61 -5.270 -4.244 0.055 528 H ALA 62 H ALA 62 -2.970 -1.860 -4.473 529 HA ALA 62 HA ALA 62 -4.102 0.358 -5.747 530 1HB ALA 62 1HB ALA 62 -1.170 -0.235 -5.936 531 2HB ALA 62 2HB ALA 62 -1.901 0.085 -4.365 532 3HB ALA 62 3HB ALA 62 -1.978 1.303 -5.638 533 H GLU 63 H GLU 63 -2.353 -2.409 -7.092 534 HA GLU 63 HA GLU 63 -1.932 -1.335 -9.654 535 1HB GLU 63 1HB GLU 63 -1.607 -3.721 -10.328 536 2HB GLU 63 2HB GLU 63 -0.693 -3.269 -8.887 537 1HG GLU 63 1HG GLU 63 -2.387 -4.256 -7.445 538 2HG GLU 63 2HG GLU 63 -3.414 -4.595 -8.828 539 H SER 64 H SER 64 -4.700 -0.892 -8.812 540 HA SER 64 HA SER 64 -6.071 -2.382 -10.971 541 1HB SER 64 1HB SER 64 -6.848 -3.040 -8.695 542 2HB SER 64 2HB SER 64 -7.323 -1.368 -8.408 543 HG SER 64 HG SER 64 -8.210 -2.770 -10.689 544 H LEU 65 H LEU 65 -5.502 0.694 -9.425 545 HA LEU 65 HA LEU 65 -7.445 2.049 -11.129 546 1HB LEU 65 1HB LEU 65 -6.990 2.681 -8.706 547 2HB LEU 65 2HB LEU 65 -5.455 3.339 -9.264 548 HG LEU 65 HG LEU 65 -6.760 4.716 -10.943 549 1HD1 LEU 65 1HD1 LEU 65 -8.873 3.818 -11.201 550 2HD1 LEU 65 2HD1 LEU 65 -9.235 5.030 -9.975 551 3HD1 LEU 65 3HD1 LEU 65 -9.000 3.347 -9.507 552 1HD2 LEU 65 1HD2 LEU 65 -7.148 5.065 -7.967 553 2HD2 LEU 65 2HD2 LEU 65 -7.672 6.281 -9.129 554 3HD2 LEU 65 3HD2 LEU 65 -5.968 5.855 -9.010 555 H TYR 66 H TYR 66 -3.976 1.556 -10.892 556 HA TYR 66 HA TYR 66 -3.601 2.252 -13.629 557 1HB TYR 66 1HB TYR 66 -2.009 4.148 -13.246 558 2HB TYR 66 2HB TYR 66 -3.691 4.539 -12.901 559 HD1 TYR 66 HD1 TYR 66 -0.349 4.000 -11.469 560 HD2 TYR 66 HD2 TYR 66 -4.474 4.809 -10.587 561 HE1 TYR 66 HE1 TYR 66 0.278 4.698 -9.169 562 HE2 TYR 66 HE2 TYR 66 -3.848 5.490 -8.284 563 HH TYR 66 HH TYR 66 -0.452 5.681 -7.287 564 H GLU 67 H GLU 67 -2.392 0.550 -14.089 565 HA GLU 67 HA GLU 67 -0.751 -0.940 -12.479 566 1HB GLU 67 1HB GLU 67 -0.314 -0.321 -15.409 567 2HB GLU 67 2HB GLU 67 0.387 -1.680 -14.531 568 1HG GLU 67 1HG GLU 67 -1.798 -2.618 -14.103 569 2HG GLU 67 2HG GLU 67 -2.593 -1.187 -14.757 570 H GLY 68 H GLY 68 -0.239 2.276 -13.388 571 1HA GLY 68 1HA GLY 68 2.501 2.533 -13.701 572 2HA GLY 68 2HA GLY 68 1.479 3.741 -12.931 573 H ILE 69 H ILE 69 0.974 1.100 -11.111 574 HA ILE 69 HA ILE 69 2.649 2.046 -8.976 575 HB ILE 69 HB ILE 69 0.977 -0.468 -9.124 576 1HG1 ILE 69 1HG1 ILE 69 -0.121 1.904 -9.477 577 2HG1 ILE 69 2HG1 ILE 69 -0.862 0.759 -8.367 578 1HG2 ILE 69 1HG2 ILE 69 2.492 -0.661 -7.306 579 2HG2 ILE 69 2HG2 ILE 69 0.994 -0.079 -6.587 580 3HG2 ILE 69 3HG2 ILE 69 2.323 1.040 -6.879 581 1HD1 ILE 69 1HD1 ILE 69 -0.636 3.096 -7.448 582 2HD1 ILE 69 2HD1 ILE 69 1.111 2.888 -7.505 583 3HD1 ILE 69 3HD1 ILE 69 0.136 1.860 -6.458 584 H LYS 70 H LYS 70 4.793 1.709 -9.227 585 HA LYS 70 HA LYS 70 5.831 -0.795 -10.281 586 1HB LYS 70 1HB LYS 70 7.108 1.723 -9.218 587 2HB LYS 70 2HB LYS 70 8.050 0.299 -9.657 588 1HG LYS 70 1HG LYS 70 6.049 1.334 -11.636 589 2HG LYS 70 2HG LYS 70 7.562 2.220 -11.439 590 1HD LYS 70 1HD LYS 70 8.860 0.231 -11.940 591 2HD LYS 70 2HD LYS 70 7.401 -0.760 -11.977 592 1HE LYS 70 1HE LYS 70 6.593 0.352 -13.943 593 2HE LYS 70 2HE LYS 70 7.833 1.601 -13.822 594 1HZ LYS 70 1HZ LYS 70 8.194 -0.309 -15.461 595 2HZ LYS 70 2HZ LYS 70 8.565 -1.244 -14.091 596 3HZ LYS 70 3HZ LYS 70 9.489 0.134 -14.458 597 H SER 71 H SER 71 5.375 0.820 -7.216 598 HA SER 71 HA SER 71 5.381 -1.488 -5.648 599 1HB SER 71 1HB SER 71 7.709 -1.808 -6.032 600 2HB SER 71 2HB SER 71 8.053 -0.092 -5.837 601 HG SER 71 HG SER 71 7.831 -2.058 -3.971 602 H VAL 72 H VAL 72 6.169 -0.691 -3.223 603 HA VAL 72 HA VAL 72 5.300 2.067 -2.758 604 HB VAL 72 HB VAL 72 3.920 -0.236 -1.367 605 1HG1 VAL 72 1HG1 VAL 72 2.427 1.506 -0.556 606 2HG1 VAL 72 2HG1 VAL 72 3.251 2.718 -1.537 607 3HG1 VAL 72 3HG1 VAL 72 4.087 1.966 -0.178 608 1HG2 VAL 72 1HG2 VAL 72 3.217 -0.314 -3.670 609 2HG2 VAL 72 2HG2 VAL 72 3.077 1.443 -3.746 610 3HG2 VAL 72 3HG2 VAL 72 1.941 0.512 -2.777 611 H ASN 73 H ASN 73 6.016 2.920 -0.800 612 HA ASN 73 HA ASN 73 7.226 1.297 1.243 613 1HB ASN 73 1HB ASN 73 8.903 1.295 -0.701 614 2HB ASN 73 2HB ASN 73 9.151 2.999 -0.327 615 1HD2 ASN 73 1HD2 ASN 73 10.173 -0.148 0.483 616 2HD2 ASN 73 2HD2 ASN 73 10.960 0.227 1.940 617 H PHE 74 H PHE 74 8.044 2.465 2.990 618 HA PHE 74 HA PHE 74 7.234 5.311 3.090 619 1HB PHE 74 1HB PHE 74 7.209 3.773 5.625 620 2HB PHE 74 2HB PHE 74 6.072 4.982 5.031 621 HD1 PHE 74 HD1 PHE 74 7.232 1.508 4.162 622 HD2 PHE 74 HD2 PHE 74 3.932 4.243 4.464 623 HE1 PHE 74 HE1 PHE 74 5.673 -0.295 3.484 624 HE2 PHE 74 HE2 PHE 74 2.375 2.440 3.784 625 HZ PHE 74 HZ PHE 74 3.246 0.169 3.294 626 H VAL 75 H VAL 75 8.664 6.704 4.116 627 HA VAL 75 HA VAL 75 10.937 5.638 5.585 628 HB VAL 75 HB VAL 75 12.286 7.298 3.850 629 1HG1 VAL 75 1HG1 VAL 75 13.233 5.206 2.935 630 2HG1 VAL 75 2HG1 VAL 75 11.902 4.299 3.650 631 3HG1 VAL 75 3HG1 VAL 75 13.064 5.124 4.688 632 1HG2 VAL 75 1HG2 VAL 75 10.477 5.566 2.155 633 2HG2 VAL 75 2HG2 VAL 75 11.650 6.762 1.605 634 3HG2 VAL 75 3HG2 VAL 75 10.177 7.283 2.424 635 H ASN 76 H ASN 76 12.549 7.712 5.827 636 HA ASN 76 HA ASN 76 10.964 9.610 7.323 637 1HB ASN 76 1HB ASN 76 13.855 10.129 6.918 638 2HB ASN 76 2HB ASN 76 12.907 10.125 8.403 639 1HD2 ASN 76 1HD2 ASN 76 15.118 8.290 6.513 640 2HD2 ASN 76 2HD2 ASN 76 14.996 6.836 7.380 641 H GLU 77 H GLU 77 11.116 11.915 7.050 642 HA GLU 77 HA GLU 77 10.492 12.825 4.506 643 1HB GLU 77 1HB GLU 77 10.665 15.053 5.399 644 2HB GLU 77 2HB GLU 77 10.024 14.006 6.667 645 1HG GLU 77 1HG GLU 77 12.440 13.724 7.456 646 2HG GLU 77 2HG GLU 77 12.844 15.059 6.378 647 H GLN 78 H GLN 78 13.656 12.523 6.021 648 HA GLN 78 HA GLN 78 15.012 14.169 4.119 649 1HB GLN 78 1HB GLN 78 15.898 13.615 6.400 650 2HB GLN 78 2HB GLN 78 16.189 11.969 5.834 651 1HG GLN 78 1HG GLN 78 17.701 12.783 4.105 652 2HG GLN 78 2HG GLN 78 17.345 14.455 4.540 653 1HE2 GLN 78 1HE2 GLN 78 19.089 15.298 5.682 654 2HE2 GLN 78 2HE2 GLN 78 19.974 14.461 6.866 655 H ASP 79 H ASP 79 14.821 10.614 4.493 656 HA ASP 79 HA ASP 79 16.265 10.033 2.138 657 1HB ASP 79 1HB ASP 79 15.902 8.352 3.865 658 2HB ASP 79 2HB ASP 79 14.167 8.393 3.566 659 H PHE 80 H PHE 80 12.729 10.197 2.719 660 HA PHE 80 HA PHE 80 11.847 9.556 0.162 661 1HB PHE 80 1HB PHE 80 10.040 9.783 1.544 662 2HB PHE 80 2HB PHE 80 10.782 11.082 2.471 663 HD1 PHE 80 HD1 PHE 80 9.646 13.108 2.350 664 HD2 PHE 80 HD2 PHE 80 9.715 10.566 -1.110 665 HE1 PHE 80 HE1 PHE 80 8.284 14.760 1.109 666 HE2 PHE 80 HE2 PHE 80 8.353 12.221 -2.352 667 HZ PHE 80 HZ PHE 80 7.634 14.318 -1.241 668 H PHE 81 H PHE 81 13.093 12.599 1.451 669 HA PHE 81 HA PHE 81 12.448 14.262 -0.734 670 1HB PHE 81 1HB PHE 81 13.309 14.940 1.583 671 2HB PHE 81 2HB PHE 81 14.921 14.610 0.946 672 HD1 PHE 81 HD1 PHE 81 16.007 16.164 -0.486 673 HD2 PHE 81 HD2 PHE 81 11.805 16.562 0.314 674 HE1 PHE 81 HE1 PHE 81 15.990 18.352 -1.653 675 HE2 PHE 81 HE2 PHE 81 11.789 18.750 -0.851 676 HZ PHE 81 HZ PHE 81 13.884 19.648 -1.833 677 H PHE 82 H PHE 82 15.447 12.462 0.027 678 HA PHE 82 HA PHE 82 16.954 13.238 -2.181 679 1HB PHE 82 1HB PHE 82 17.715 11.880 -0.171 680 2HB PHE 82 2HB PHE 82 17.013 10.472 -0.969 681 HD1 PHE 82 HD1 PHE 82 18.091 9.428 -2.834 682 HD2 PHE 82 HD2 PHE 82 19.555 13.161 -1.296 683 HE1 PHE 82 HE1 PHE 82 20.129 9.202 -4.228 684 HE2 PHE 82 HE2 PHE 82 21.594 12.936 -2.691 685 HZ PHE 82 HZ PHE 82 21.880 10.956 -4.157 686 H ASN 83 H ASN 83 14.318 10.971 -1.923 687 HA ASN 83 HA ASN 83 14.814 9.728 -4.484 688 1HB ASN 83 1HB ASN 83 13.039 9.323 -2.236 689 2HB ASN 83 2HB ASN 83 12.110 9.336 -3.733 690 1HD2 ASN 83 1HD2 ASN 83 13.683 7.235 -1.715 691 2HD2 ASN 83 2HD2 ASN 83 14.125 6.041 -2.837 692 H LEU 84 H LEU 84 12.487 12.099 -3.191 693 HA LEU 84 HA LEU 84 11.422 12.638 -5.829 694 1HB LEU 84 1HB LEU 84 9.716 12.868 -4.293 695 2HB LEU 84 2HB LEU 84 10.801 13.390 -3.013 696 HG LEU 84 HG LEU 84 11.006 15.618 -4.170 697 1HD1 LEU 84 1HD1 LEU 84 8.553 14.955 -5.752 698 2HD1 LEU 84 2HD1 LEU 84 10.099 14.403 -6.391 699 3HD1 LEU 84 3HD1 LEU 84 9.830 16.119 -6.099 700 1HD2 LEU 84 1HD2 LEU 84 8.204 14.709 -3.451 701 2HD2 LEU 84 2HD2 LEU 84 8.749 16.385 -3.514 702 3HD2 LEU 84 3HD2 LEU 84 9.429 15.280 -2.317 703 H ALA 85 H ALA 85 14.192 13.565 -4.221 704 HA ALA 85 HA ALA 85 14.239 16.227 -5.487 705 1HB ALA 85 1HB ALA 85 16.104 15.084 -3.400 706 2HB ALA 85 2HB ALA 85 14.707 16.099 -3.043 707 3HB ALA 85 3HB ALA 85 16.054 16.751 -3.976 708 H LYS 86 H LYS 86 14.829 13.323 -6.536 709 HA LYS 86 HA LYS 86 17.434 13.994 -7.763 710 1HB LYS 86 1HB LYS 86 17.947 11.665 -7.886 711 2HB LYS 86 2HB LYS 86 17.394 11.973 -6.242 712 1HG LYS 86 1HG LYS 86 15.955 10.246 -6.589 713 2HG LYS 86 2HG LYS 86 15.028 11.396 -7.547 714 1HD LYS 86 1HD LYS 86 15.314 9.574 -9.013 715 2HD LYS 86 2HD LYS 86 16.572 10.702 -9.511 716 1HE LYS 86 1HE LYS 86 18.278 9.448 -8.471 717 2HE LYS 86 2HE LYS 86 17.138 8.565 -7.456 718 1HZ LYS 86 1HZ LYS 86 17.407 7.000 -9.024 719 2HZ LYS 86 2HZ LYS 86 17.910 8.103 -10.214 720 3HZ LYS 86 3HZ LYS 86 16.256 7.911 -9.875 721 H LEU 87 H LEU 87 14.150 13.652 -8.294 722 HA LEU 87 HA LEU 87 13.696 12.353 -10.618 723 1HB LEU 87 1HB LEU 87 12.290 14.599 -11.181 724 2HB LEU 87 2HB LEU 87 11.765 13.397 -10.006 725 HG LEU 87 HG LEU 87 12.875 14.698 -8.202 726 1HD1 LEU 87 1HD1 LEU 87 13.626 17.014 -8.740 727 2HD1 LEU 87 2HD1 LEU 87 13.398 16.666 -10.453 728 3HD1 LEU 87 3HD1 LEU 87 14.620 15.791 -9.530 729 1HD2 LEU 87 1HD2 LEU 87 11.260 16.547 -8.178 730 2HD2 LEU 87 2HD2 LEU 87 10.488 15.075 -8.769 731 3HD2 LEU 87 3HD2 LEU 87 10.971 16.335 -9.905 732 H GLU 88 H GLU 88 15.484 12.221 -11.967 733 HA GLU 88 HA GLU 88 17.041 12.902 -13.538 734 1HB GLU 88 1HB GLU 88 14.768 14.667 -14.455 735 2HB GLU 88 2HB GLU 88 16.037 13.942 -15.442 736 1HG GLU 88 1HG GLU 88 15.186 11.689 -14.857 737 2HG GLU 88 2HG GLU 88 13.892 12.433 -13.920 738 H GLU 89 H GLU 89 16.904 15.507 -14.924 739 HA GLU 89 HA GLU 89 17.706 17.379 -12.797 740 1HB GLU 89 1HB GLU 89 19.741 17.969 -14.142 741 2HB GLU 89 2HB GLU 89 19.791 16.351 -13.442 742 1HG GLU 89 1HG GLU 89 19.092 15.370 -15.565 743 2HG GLU 89 2HG GLU 89 18.917 16.973 -16.277 744 H ASN 90 H ASN 90 15.761 16.834 -15.311 745 HA ASN 90 HA ASN 90 16.096 19.215 -16.878 746 1HB ASN 90 1HB ASN 90 14.966 17.072 -17.635 747 2HB ASN 90 2HB ASN 90 13.593 17.544 -16.634 748 1HD2 ASN 90 1HD2 ASN 90 13.364 17.321 -19.488 749 2HD2 ASN 90 2HD2 ASN 90 13.100 18.874 -20.118 750 H SER 91 H SER 91 15.296 21.208 -16.538 751 HA SER 91 HA SER 91 12.979 21.675 -14.882 752 1HB SER 91 1HB SER 91 14.648 21.421 -13.125 753 2HB SER 91 2HB SER 91 15.707 22.577 -13.927 754 HG SER 91 HG SER 91 14.126 24.161 -13.600 755 H ARG 92 H ARG 92 13.559 22.236 -17.571 756 HA ARG 92 HA ARG 92 14.397 24.975 -17.859 757 1HB ARG 92 1HB ARG 92 14.698 23.310 -19.667 758 2HB ARG 92 2HB ARG 92 12.948 23.162 -19.806 759 1HG ARG 92 1HG ARG 92 13.814 24.701 -21.516 760 2HG ARG 92 2HG ARG 92 12.791 25.568 -20.373 761 1HD ARG 92 1HD ARG 92 15.151 26.544 -21.060 762 2HD ARG 92 2HD ARG 92 14.582 26.678 -19.400 763 HE ARG 92 HE ARG 92 16.239 25.169 -18.760 764 1HH1 ARG 92 1HH1 ARG 92 15.823 25.215 -22.195 765 2HH1 ARG 92 2HH1 ARG 92 17.230 24.257 -22.516 766 1HH2 ARG 92 1HH2 ARG 92 18.088 23.914 -19.175 767 2HH2 ARG 92 2HH2 ARG 92 18.513 23.523 -20.808 768 H ASP 93 H ASP 93 13.088 26.761 -18.394 769 HA ASP 93 HA ASP 93 10.183 26.469 -18.235 770 1HB ASP 93 1HB ASP 93 11.733 28.219 -16.314 771 2HB ASP 93 2HB ASP 93 9.978 28.160 -16.465 772 H THR 94 H THR 94 12.563 27.477 -19.964 773 HA THR 94 HA THR 94 13.111 29.710 -20.853 774 HB THR 94 HB THR 94 12.629 27.999 -22.519 775 HG1 THR 94 HG1 THR 94 12.647 30.429 -22.940 776 1HG2 THR 94 1HG2 THR 94 10.487 27.377 -23.190 777 2HG2 THR 94 2HG2 THR 94 9.766 28.891 -22.648 778 3HG2 THR 94 3HG2 THR 94 10.234 27.665 -21.469 779 H LEU 95 H LEU 95 12.635 31.700 -20.206 780 HA LEU 95 HA LEU 95 10.217 32.608 -19.173 781 1HB LEU 95 1HB LEU 95 12.534 34.033 -20.472 782 2HB LEU 95 2HB LEU 95 11.135 34.920 -19.870 783 HG LEU 95 HG LEU 95 11.458 33.882 -17.638 784 1HD1 LEU 95 1HD1 LEU 95 13.769 32.582 -19.084 785 2HD1 LEU 95 2HD1 LEU 95 12.529 31.821 -18.086 786 3HD1 LEU 95 3HD1 LEU 95 13.790 32.796 -17.333 787 1HD2 LEU 95 1HD2 LEU 95 13.981 35.195 -18.697 788 2HD2 LEU 95 2HD2 LEU 95 13.425 35.186 -17.024 789 3HD2 LEU 95 3HD2 LEU 95 12.518 36.070 -18.250 790 H TYR 96 H TYR 96 9.468 34.891 -20.508 791 HA TYR 96 HA TYR 96 7.457 34.199 -22.175 792 1HB TYR 96 1HB TYR 96 7.776 36.495 -21.447 793 2HB TYR 96 2HB TYR 96 9.227 36.641 -22.437 794 HD1 TYR 96 HD1 TYR 96 5.544 36.343 -22.492 795 HD2 TYR 96 HD2 TYR 96 9.096 36.887 -24.845 796 HE1 TYR 96 HE1 TYR 96 4.155 37.001 -24.437 797 HE2 TYR 96 HE2 TYR 96 7.707 37.545 -26.790 798 HH TYR 96 HH TYR 96 4.962 36.911 -27.386 799 H GLN 97 H GLN 97 7.121 33.858 -24.364 800 HA GLN 97 HA GLN 97 9.448 33.747 -26.146 801 1HB GLN 97 1HB GLN 97 8.789 31.458 -26.905 802 2HB GLN 97 2HB GLN 97 9.377 31.501 -25.245 803 1HG GLN 97 1HG GLN 97 6.433 31.834 -25.697 804 2HG GLN 97 2HG GLN 97 7.122 30.222 -25.875 805 1HE2 GLN 97 1HE2 GLN 97 6.786 29.106 -23.951 806 2HE2 GLN 97 2HE2 GLN 97 7.012 29.756 -22.399 807 H ASN 98 H ASN 98 7.676 32.077 -27.974 808 HA ASN 98 HA ASN 98 5.514 33.929 -28.617 809 1HB ASN 98 1HB ASN 98 6.318 34.231 -30.944 810 2HB ASN 98 2HB ASN 98 7.397 34.965 -29.759 811 1HD2 ASN 98 1HD2 ASN 98 7.188 32.595 -32.290 812 2HD2 ASN 98 2HD2 ASN 98 8.766 31.992 -32.135 813 H SER 99 H SER 99 3.811 32.818 -29.313 814 HA SER 99 HA SER 99 4.062 30.520 -31.034 815 1HB SER 99 1HB SER 99 4.505 29.657 -28.665 816 2HB SER 99 2HB SER 99 2.815 30.025 -28.332 817 HG SER 99 HG SER 99 3.951 28.042 -29.890 818 H GLY 100 H GLY 100 2.334 33.013 -29.514 819 1HA GLY 100 1HA GLY 100 -0.304 32.126 -30.375 820 2HA GLY 100 2HA GLY 100 0.079 33.638 -29.555 Start of MODEL 19 1 H MET 1 H MET 1 -6.123 16.072 -5.394 2 HA MET 1 HA MET 1 -8.290 16.049 -4.952 3 1HB MET 1 1HB MET 1 -8.062 16.116 -7.528 4 2HB MET 1 2HB MET 1 -8.623 14.445 -7.490 5 1HG MET 1 1HG MET 1 -10.545 15.392 -5.984 6 2HG MET 1 2HG MET 1 -10.084 16.946 -6.678 7 1HE MET 1 1HE MET 1 -10.791 17.771 -8.989 8 2HE MET 1 2HE MET 1 -12.084 17.543 -7.814 9 3HE MET 1 3HE MET 1 -12.340 17.085 -9.496 10 H GLU 2 H GLU 2 -9.839 13.666 -6.411 11 HA GLU 2 HA GLU 2 -10.191 12.134 -4.005 12 1HB GLU 2 1HB GLU 2 -11.702 10.750 -5.487 13 2HB GLU 2 2HB GLU 2 -12.118 12.460 -5.385 14 1HG GLU 2 1HG GLU 2 -11.014 12.905 -7.507 15 2HG GLU 2 2HG GLU 2 -10.438 11.241 -7.593 16 H GLN 3 H GLN 3 -8.141 11.920 -6.751 17 HA GLN 3 HA GLN 3 -7.653 9.346 -7.318 18 1HB GLN 3 1HB GLN 3 -6.294 11.261 -8.123 19 2HB GLN 3 2HB GLN 3 -5.469 11.298 -6.565 20 1HG GLN 3 1HG GLN 3 -4.685 8.998 -6.903 21 2HG GLN 3 2HG GLN 3 -5.548 8.913 -8.437 22 1HE2 GLN 3 1HE2 GLN 3 -3.400 11.425 -6.973 23 2HE2 GLN 3 2HE2 GLN 3 -2.370 11.526 -8.319 24 H PHE 4 H PHE 4 -5.588 10.784 -4.815 25 HA PHE 4 HA PHE 4 -4.839 8.355 -3.675 26 1HB PHE 4 1HB PHE 4 -3.825 10.654 -3.192 27 2HB PHE 4 2HB PHE 4 -5.171 10.909 -2.081 28 HD1 PHE 4 HD1 PHE 4 -2.189 8.827 -2.786 29 HD2 PHE 4 HD2 PHE 4 -5.297 9.754 0.031 30 HE1 PHE 4 HE1 PHE 4 -0.998 7.527 -1.043 31 HE2 PHE 4 HE2 PHE 4 -4.105 8.454 1.774 32 HZ PHE 4 HZ PHE 4 -1.956 7.341 1.237 33 H ASN 5 H ASN 5 -7.692 10.329 -3.060 34 HA ASN 5 HA ASN 5 -8.617 8.914 -0.800 35 1HB ASN 5 1HB ASN 5 -9.554 11.089 -1.871 36 2HB ASN 5 2HB ASN 5 -10.471 10.003 -2.912 37 1HD2 ASN 5 1HD2 ASN 5 -12.385 11.037 -1.713 38 2HD2 ASN 5 2HD2 ASN 5 -12.841 10.353 -0.228 39 H ALA 6 H ALA 6 -8.609 8.249 -4.214 40 HA ALA 6 HA ALA 6 -10.499 6.112 -4.210 41 1HB ALA 6 1HB ALA 6 -8.224 6.292 -6.165 42 2HB ALA 6 2HB ALA 6 -9.503 7.503 -6.192 43 3HB ALA 6 3HB ALA 6 -9.895 5.803 -6.445 44 H PHE 7 H PHE 7 -6.922 6.104 -4.336 45 HA PHE 7 HA PHE 7 -6.612 3.316 -4.032 46 1HB PHE 7 1HB PHE 7 -4.644 4.331 -4.722 47 2HB PHE 7 2HB PHE 7 -4.846 5.703 -3.634 48 HD1 PHE 7 HD1 PHE 7 -3.010 5.767 -2.185 49 HD2 PHE 7 HD2 PHE 7 -4.895 2.001 -3.029 50 HE1 PHE 7 HE1 PHE 7 -1.544 4.661 -0.520 51 HE2 PHE 7 HE2 PHE 7 -3.428 0.894 -1.364 52 HZ PHE 7 HZ PHE 7 -1.754 2.227 -0.110 53 H LYS 8 H LYS 8 -6.962 5.943 -1.727 54 HA LYS 8 HA LYS 8 -6.329 4.691 0.679 55 1HB LYS 8 1HB LYS 8 -7.023 7.132 0.167 56 2HB LYS 8 2HB LYS 8 -8.662 6.552 0.465 57 1HG LYS 8 1HG LYS 8 -8.183 5.968 2.697 58 2HG LYS 8 2HG LYS 8 -6.440 5.930 2.418 59 1HD LYS 8 1HD LYS 8 -6.920 7.943 3.651 60 2HD LYS 8 2HD LYS 8 -6.554 8.427 1.996 61 1HE LYS 8 1HE LYS 8 -8.572 9.580 2.918 62 2HE LYS 8 2HE LYS 8 -8.929 8.621 1.483 63 1HZ LYS 8 1HZ LYS 8 -9.936 6.971 2.734 64 2HZ LYS 8 2HZ LYS 8 -10.455 8.393 3.505 65 3HZ LYS 8 3HZ LYS 8 -9.205 7.464 4.182 66 H SER 9 H SER 9 -9.571 5.063 -0.782 67 HA SER 9 HA SER 9 -10.985 3.551 1.034 68 1HB SER 9 1HB SER 9 -11.371 4.059 -1.908 69 2HB SER 9 2HB SER 9 -12.466 2.981 -1.047 70 HG SER 9 HG SER 9 -12.788 4.724 0.452 71 H LEU 10 H LEU 10 -9.088 2.440 -1.774 72 HA LEU 10 HA LEU 10 -9.810 -0.236 -1.741 73 1HB LEU 10 1HB LEU 10 -7.729 1.374 -2.880 74 2HB LEU 10 2HB LEU 10 -6.985 -0.064 -2.185 75 HG LEU 10 HG LEU 10 -9.274 -0.005 -4.178 76 1HD1 LEU 10 1HD1 LEU 10 -7.320 0.398 -5.413 77 2HD1 LEU 10 2HD1 LEU 10 -7.444 -1.359 -5.478 78 3HD1 LEU 10 3HD1 LEU 10 -6.324 -0.595 -4.352 79 1HD2 LEU 10 1HD2 LEU 10 -8.291 -2.094 -2.341 80 2HD2 LEU 10 2HD2 LEU 10 -8.347 -2.610 -4.027 81 3HD2 LEU 10 3HD2 LEU 10 -9.805 -2.008 -3.242 82 H LEU 11 H LEU 11 -7.671 1.576 0.412 83 HA LEU 11 HA LEU 11 -6.641 -0.788 1.705 84 1HB LEU 11 1HB LEU 11 -6.602 2.133 2.508 85 2HB LEU 11 2HB LEU 11 -5.807 0.860 3.427 86 HG LEU 11 HG LEU 11 -5.211 1.067 0.497 87 1HD1 LEU 11 1HD1 LEU 11 -4.574 3.237 0.732 88 2HD1 LEU 11 2HD1 LEU 11 -3.212 2.593 1.644 89 3HD1 LEU 11 3HD1 LEU 11 -4.644 3.170 2.493 90 1HD2 LEU 11 1HD2 LEU 11 -3.061 0.189 1.224 91 2HD2 LEU 11 2HD2 LEU 11 -4.333 -0.760 1.993 92 3HD2 LEU 11 3HD2 LEU 11 -3.473 0.471 2.915 93 H LYS 12 H LYS 12 -9.411 1.294 2.167 94 HA LYS 12 HA LYS 12 -10.004 0.699 4.835 95 1HB LYS 12 1HB LYS 12 -11.241 2.316 3.321 96 2HB LYS 12 2HB LYS 12 -12.062 0.919 2.625 97 1HG LYS 12 1HG LYS 12 -12.705 0.295 5.031 98 2HG LYS 12 2HG LYS 12 -12.189 1.923 5.472 99 1HD LYS 12 1HD LYS 12 -13.793 2.897 3.909 100 2HD LYS 12 2HD LYS 12 -14.261 1.291 3.350 101 1HE LYS 12 1HE LYS 12 -14.542 2.231 6.217 102 2HE LYS 12 2HE LYS 12 -15.849 2.269 5.035 103 1HZ LYS 12 1HZ LYS 12 -15.505 0.223 6.607 104 2HZ LYS 12 2HZ LYS 12 -14.391 -0.241 5.412 105 3HZ LYS 12 3HZ LYS 12 -16.021 0.015 5.005 106 H LYS 13 H LYS 13 -11.432 -0.933 1.992 107 HA LYS 13 HA LYS 13 -12.607 -3.065 3.340 108 1HB LYS 13 1HB LYS 13 -12.306 -2.302 0.687 109 2HB LYS 13 2HB LYS 13 -11.467 -3.848 0.753 110 1HG LYS 13 1HG LYS 13 -13.680 -4.486 0.297 111 2HG LYS 13 2HG LYS 13 -13.579 -4.677 2.047 112 1HD LYS 13 1HD LYS 13 -14.480 -2.309 2.249 113 2HD LYS 13 2HD LYS 13 -14.797 -2.367 0.514 114 1HE LYS 13 1HE LYS 13 -15.870 -4.382 2.507 115 2HE LYS 13 2HE LYS 13 -16.784 -3.000 1.903 116 1HZ LYS 13 1HZ LYS 13 -16.559 -3.836 -0.329 117 2HZ LYS 13 2HZ LYS 13 -17.238 -5.040 0.656 118 3HZ LYS 13 3HZ LYS 13 -15.603 -5.130 0.206 119 H HIS 14 H HIS 14 -9.324 -2.691 2.146 120 HA HIS 14 HA HIS 14 -8.368 -5.327 2.646 121 1HB HIS 14 1HB HIS 14 -7.333 -3.383 1.275 122 2HB HIS 14 2HB HIS 14 -6.642 -2.882 2.819 123 HD1 HIS 14 HD1 HIS 14 -7.127 -6.378 1.361 124 HD2 HIS 14 HD2 HIS 14 -4.076 -3.922 2.786 125 HE1 HIS 14 HE1 HIS 14 -5.015 -7.775 1.342 126 HE2 HIS 14 HE2 HIS 14 -3.146 -6.292 2.212 127 H TYR 15 H TYR 15 -7.472 -2.384 4.400 128 HA TYR 15 HA TYR 15 -6.596 -3.782 6.719 129 1HB TYR 15 1HB TYR 15 -6.800 -0.960 5.791 130 2HB TYR 15 2HB TYR 15 -6.735 -1.213 7.534 131 HD1 TYR 15 HD1 TYR 15 -4.571 -0.865 8.339 132 HD2 TYR 15 HD2 TYR 15 -5.108 -2.918 4.603 133 HE1 TYR 15 HE1 TYR 15 -2.125 -1.240 8.193 134 HE2 TYR 15 HE2 TYR 15 -2.658 -3.292 4.461 135 HH TYR 15 HH TYR 15 -0.659 -3.261 6.782 136 H GLU 16 H GLU 16 -9.595 -3.856 5.839 137 HA GLU 16 HA GLU 16 -11.074 -2.503 7.832 138 1HB GLU 16 1HB GLU 16 -12.021 -3.463 5.723 139 2HB GLU 16 2HB GLU 16 -11.808 -5.073 6.410 140 1HG GLU 16 1HG GLU 16 -13.429 -4.722 8.070 141 2HG GLU 16 2HG GLU 16 -13.324 -2.966 7.938 142 H LYS 17 H LYS 17 -8.767 -4.749 8.294 143 HA LYS 17 HA LYS 17 -10.041 -5.752 10.771 144 1HB LYS 17 1HB LYS 17 -8.313 -7.290 8.820 145 2HB LYS 17 2HB LYS 17 -8.732 -7.865 10.434 146 1HG LYS 17 1HG LYS 17 -11.148 -7.647 9.846 147 2HG LYS 17 2HG LYS 17 -10.680 -7.198 8.207 148 1HD LYS 17 1HD LYS 17 -10.011 -9.814 9.591 149 2HD LYS 17 2HD LYS 17 -11.216 -9.597 8.322 150 1HE LYS 17 1HE LYS 17 -8.220 -9.494 8.123 151 2HE LYS 17 2HE LYS 17 -9.375 -10.335 7.091 152 1HZ LYS 17 1HZ LYS 17 -8.584 -7.514 7.083 153 2HZ LYS 17 2HZ LYS 17 -10.171 -7.904 6.620 154 3HZ LYS 17 3HZ LYS 17 -8.849 -8.565 5.779 155 H THR 18 H THR 18 -7.902 -3.652 9.760 156 HA THR 18 HA THR 18 -6.037 -4.194 11.983 157 HB THR 18 HB THR 18 -4.950 -2.947 9.491 158 HG1 THR 18 HG1 THR 18 -5.981 -4.769 8.703 159 1HG2 THR 18 1HG2 THR 18 -3.781 -3.379 11.801 160 2HG2 THR 18 2HG2 THR 18 -2.906 -3.727 10.311 161 3HG2 THR 18 3HG2 THR 18 -3.657 -5.040 11.219 162 H ILE 19 H ILE 19 -8.242 -2.540 12.145 163 HA ILE 19 HA ILE 19 -7.880 0.139 11.454 164 HB ILE 19 HB ILE 19 -9.228 0.144 13.916 165 1HG1 ILE 19 1HG1 ILE 19 -9.039 -2.405 13.737 166 2HG1 ILE 19 2HG1 ILE 19 -10.662 -1.755 13.934 167 1HG2 ILE 19 1HG2 ILE 19 -10.146 -0.077 11.050 168 2HG2 ILE 19 2HG2 ILE 19 -10.020 1.375 12.043 169 3HG2 ILE 19 3HG2 ILE 19 -11.263 0.173 12.392 170 1HD1 ILE 19 1HD1 ILE 19 -10.001 -3.547 12.003 171 2HD1 ILE 19 2HD1 ILE 19 -9.742 -2.041 11.125 172 3HD1 ILE 19 3HD1 ILE 19 -11.316 -2.385 11.837 173 H GLY 20 H GLY 20 -7.653 -0.957 14.829 174 1HA GLY 20 1HA GLY 20 -6.502 0.954 16.156 175 2HA GLY 20 2HA GLY 20 -5.809 -0.659 16.290 176 H PHE 21 H PHE 21 -4.294 -1.188 14.363 177 HA PHE 21 HA PHE 21 -1.962 0.200 14.516 178 1HB PHE 21 1HB PHE 21 -2.065 -1.885 13.292 179 2HB PHE 21 2HB PHE 21 -3.085 -1.152 12.052 180 HD1 PHE 21 HD1 PHE 21 -2.118 -0.077 10.199 181 HD2 PHE 21 HD2 PHE 21 0.266 -0.827 13.690 182 HE1 PHE 21 HE1 PHE 21 -0.101 0.705 8.992 183 HE2 PHE 21 HE2 PHE 21 2.287 -0.041 12.479 184 HZ PHE 21 HZ PHE 21 2.099 0.725 10.129 185 H HIS 22 H HIS 22 -4.579 0.848 12.196 186 HA HIS 22 HA HIS 22 -3.388 2.990 10.822 187 1HB HIS 22 1HB HIS 22 -5.434 1.932 10.007 188 2HB HIS 22 2HB HIS 22 -6.308 2.467 11.440 189 HD1 HIS 22 HD1 HIS 22 -6.687 5.065 11.712 190 HD2 HIS 22 HD2 HIS 22 -5.159 3.906 8.010 191 HE1 HIS 22 HE1 HIS 22 -6.988 7.043 10.167 192 HE2 HIS 22 HE2 HIS 22 -6.063 6.355 7.901 193 H ASP 23 H ASP 23 -5.809 3.165 13.446 194 HA ASP 23 HA ASP 23 -5.612 5.929 13.858 195 1HB ASP 23 1HB ASP 23 -7.177 3.940 14.858 196 2HB ASP 23 2HB ASP 23 -6.152 4.271 16.252 197 H LYS 24 H LYS 24 -3.267 3.615 14.326 198 HA LYS 24 HA LYS 24 -2.058 4.748 16.708 199 1HB LYS 24 1HB LYS 24 -1.981 2.264 15.527 200 2HB LYS 24 2HB LYS 24 -0.413 2.931 15.084 201 1HG LYS 24 1HG LYS 24 0.042 1.958 17.165 202 2HG LYS 24 2HG LYS 24 -0.290 3.630 17.613 203 1HD LYS 24 1HD LYS 24 -2.730 2.896 17.935 204 2HD LYS 24 2HD LYS 24 -2.129 1.241 17.842 205 1HE LYS 24 1HE LYS 24 -2.136 1.752 20.163 206 2HE LYS 24 2HE LYS 24 -0.451 1.922 19.668 207 1HZ LYS 24 1HZ LYS 24 -0.621 3.928 20.607 208 2HZ LYS 24 2HZ LYS 24 -2.319 3.927 20.570 209 3HZ LYS 24 3HZ LYS 24 -1.438 4.376 19.189 210 H TYR 25 H TYR 25 -0.585 4.129 13.504 211 HA TYR 25 HA TYR 25 0.942 6.630 13.877 212 1HB TYR 25 1HB TYR 25 1.612 4.397 11.961 213 2HB TYR 25 2HB TYR 25 2.664 5.692 12.534 214 HD1 TYR 25 HD1 TYR 25 1.737 2.314 13.015 215 HD2 TYR 25 HD2 TYR 25 2.922 5.836 15.171 216 HE1 TYR 25 HE1 TYR 25 2.441 0.905 14.931 217 HE2 TYR 25 HE2 TYR 25 3.627 4.428 17.084 218 HH TYR 25 HH TYR 25 4.396 1.972 17.376 219 H ILE 26 H ILE 26 -0.094 4.726 11.031 220 HA ILE 26 HA ILE 26 -0.015 6.640 9.116 221 HB ILE 26 HB ILE 26 -2.095 4.487 9.520 222 1HG1 ILE 26 1HG1 ILE 26 0.236 4.723 7.593 223 2HG1 ILE 26 2HG1 ILE 26 0.320 3.871 9.135 224 1HG2 ILE 26 1HG2 ILE 26 -1.679 6.431 7.240 225 2HG2 ILE 26 2HG2 ILE 26 -3.176 6.069 8.099 226 3HG2 ILE 26 3HG2 ILE 26 -2.476 4.875 7.007 227 1HD1 ILE 26 1HD1 ILE 26 -0.156 2.282 7.334 228 2HD1 ILE 26 2HD1 ILE 26 -1.558 3.230 6.844 229 3HD1 ILE 26 3HD1 ILE 26 -1.552 2.410 8.405 230 H LYS 27 H LYS 27 -2.644 6.177 11.449 231 HA LYS 27 HA LYS 27 -4.568 7.464 11.800 232 1HB LYS 27 1HB LYS 27 -2.119 9.128 12.141 233 2HB LYS 27 2HB LYS 27 -3.675 9.957 12.197 234 1HG LYS 27 1HG LYS 27 -3.314 7.428 13.779 235 2HG LYS 27 2HG LYS 27 -2.641 8.933 14.404 236 1HD LYS 27 1HD LYS 27 -5.481 8.913 13.425 237 2HD LYS 27 2HD LYS 27 -5.119 8.232 15.011 238 1HE LYS 27 1HE LYS 27 -4.030 10.939 14.277 239 2HE LYS 27 2HE LYS 27 -5.704 10.785 14.811 240 1HZ LYS 27 1HZ LYS 27 -4.076 11.215 16.620 241 2HZ LYS 27 2HZ LYS 27 -3.394 9.689 16.314 242 3HZ LYS 27 3HZ LYS 27 -5.004 9.813 16.843 243 H ASP 28 H ASP 28 -2.996 10.226 10.381 244 HA ASP 28 HA ASP 28 -4.519 9.983 7.893 245 1HB ASP 28 1HB ASP 28 -5.634 12.115 8.161 246 2HB ASP 28 2HB ASP 28 -6.045 11.080 9.527 247 H ILE 29 H ILE 29 -3.196 10.499 6.303 248 HA ILE 29 HA ILE 29 -1.236 12.677 6.702 249 HB ILE 29 HB ILE 29 -0.573 10.293 4.996 250 1HG1 ILE 29 1HG1 ILE 29 -0.135 10.518 7.992 251 2HG1 ILE 29 2HG1 ILE 29 -1.204 9.364 7.191 252 1HG2 ILE 29 1HG2 ILE 29 1.709 10.979 5.503 253 2HG2 ILE 29 2HG2 ILE 29 1.129 12.163 6.673 254 3HG2 ILE 29 3HG2 ILE 29 0.805 12.388 4.956 255 1HD1 ILE 29 1HD1 ILE 29 0.870 8.222 7.650 256 2HD1 ILE 29 2HD1 ILE 29 1.810 9.539 6.948 257 3HD1 ILE 29 3HD1 ILE 29 0.804 8.522 5.914 258 H ASN 30 H ASN 30 -0.384 13.450 4.538 259 HA ASN 30 HA ASN 30 -2.158 13.040 2.269 260 1HB ASN 30 1HB ASN 30 -1.950 15.712 3.675 261 2HB ASN 30 2HB ASN 30 -2.633 15.487 2.065 262 1HD2 ASN 30 1HD2 ASN 30 -4.746 14.532 1.899 263 2HD2 ASN 30 2HD2 ASN 30 -5.695 14.183 3.261 264 H ARG 31 H ARG 31 0.593 12.479 2.674 265 HA ARG 31 HA ARG 31 1.741 14.277 0.645 266 1HB ARG 31 1HB ARG 31 2.579 14.841 2.980 267 2HB ARG 31 2HB ARG 31 3.321 13.245 3.005 268 1HG ARG 31 1HG ARG 31 5.000 14.811 2.261 269 2HG ARG 31 2HG ARG 31 4.519 13.837 0.874 270 1HD ARG 31 1HD ARG 31 4.690 16.457 0.646 271 2HD ARG 31 2HD ARG 31 3.377 15.591 -0.139 272 HE ARG 31 HE ARG 31 2.810 16.558 2.552 273 1HH1 ARG 31 1HH1 ARG 31 2.683 17.085 -0.869 274 2HH1 ARG 31 2HH1 ARG 31 1.409 18.254 -0.780 275 1HH2 ARG 31 1HH2 ARG 31 1.140 18.093 2.672 276 2HH2 ARG 31 2HH2 ARG 31 0.536 18.825 1.223 277 H PHE 32 H PHE 32 1.993 13.024 -1.069 278 HA PHE 32 HA PHE 32 3.566 10.569 -0.823 279 1HB PHE 32 1HB PHE 32 1.913 9.372 -2.317 280 2HB PHE 32 2HB PHE 32 1.338 9.677 -0.677 281 HD1 PHE 32 HD1 PHE 32 1.150 10.832 -4.199 282 HD2 PHE 32 HD2 PHE 32 -0.492 11.166 -0.244 283 HE1 PHE 32 HE1 PHE 32 -0.769 12.114 -5.105 284 HE2 PHE 32 HE2 PHE 32 -2.411 12.448 -1.150 285 HZ PHE 32 HZ PHE 32 -2.550 12.922 -3.580 286 H VAL 33 H VAL 33 4.141 9.729 -3.062 287 HA VAL 33 HA VAL 33 4.121 11.837 -5.124 288 HB VAL 33 HB VAL 33 6.521 11.411 -5.564 289 1HG1 VAL 33 1HG1 VAL 33 5.748 12.552 -2.862 290 2HG1 VAL 33 2HG1 VAL 33 5.817 13.426 -4.391 291 3HG1 VAL 33 3HG1 VAL 33 7.301 12.826 -3.652 292 1HG2 VAL 33 1HG2 VAL 33 6.991 9.352 -4.486 293 2HG2 VAL 33 2HG2 VAL 33 6.220 9.863 -2.985 294 3HG2 VAL 33 3HG2 VAL 33 7.773 10.552 -3.458 295 H PHE 34 H PHE 34 3.297 10.938 -6.849 296 HA PHE 34 HA PHE 34 4.111 8.192 -7.599 297 1HB PHE 34 1HB PHE 34 1.916 7.730 -7.142 298 2HB PHE 34 2HB PHE 34 1.425 9.412 -7.292 299 HD1 PHE 34 HD1 PHE 34 -0.210 9.654 -8.923 300 HD2 PHE 34 HD2 PHE 34 3.062 6.963 -9.637 301 HE1 PHE 34 HE1 PHE 34 -1.086 9.194 -11.196 302 HE2 PHE 34 HE2 PHE 34 2.183 6.505 -11.911 303 HZ PHE 34 HZ PHE 34 0.112 7.620 -12.690 304 H LYS 35 H LYS 35 4.901 7.974 -9.595 305 HA LYS 35 HA LYS 35 4.414 10.124 -11.568 306 1HB LYS 35 1HB LYS 35 7.045 8.759 -10.949 307 2HB LYS 35 2HB LYS 35 6.768 9.821 -12.331 308 1HG LYS 35 1HG LYS 35 5.970 11.565 -10.613 309 2HG LYS 35 2HG LYS 35 6.705 10.526 -9.394 310 1HD LYS 35 1HD LYS 35 8.184 11.583 -11.821 311 2HD LYS 35 2HD LYS 35 8.228 12.351 -10.235 312 1HE LYS 35 1HE LYS 35 9.203 9.576 -10.957 313 2HE LYS 35 2HE LYS 35 10.167 10.934 -10.382 314 1HZ LYS 35 1HZ LYS 35 8.463 10.778 -8.398 315 2HZ LYS 35 2HZ LYS 35 9.875 9.832 -8.438 316 3HZ LYS 35 3HZ LYS 35 8.384 9.159 -8.897 317 H ASN 36 H ASN 36 5.726 6.830 -11.157 318 HA ASN 36 HA ASN 36 4.007 5.404 -12.718 319 1HB ASN 36 1HB ASN 36 4.292 6.669 -14.671 320 2HB ASN 36 2HB ASN 36 6.021 6.874 -14.398 321 1HD2 ASN 36 1HD2 ASN 36 7.320 4.721 -14.507 322 2HD2 ASN 36 2HD2 ASN 36 6.817 3.582 -15.662 323 H ASN 37 H ASN 37 7.370 6.034 -11.973 324 HA ASN 37 HA ASN 37 8.205 3.320 -12.441 325 1HB ASN 37 1HB ASN 37 9.713 5.294 -12.712 326 2HB ASN 37 2HB ASN 37 9.672 5.495 -10.960 327 1HD2 ASN 37 1HD2 ASN 37 12.100 5.055 -11.159 328 2HD2 ASN 37 2HD2 ASN 37 12.612 3.438 -11.208 329 H VAL 38 H VAL 38 7.763 5.332 -9.582 330 HA VAL 38 HA VAL 38 7.063 2.973 -8.007 331 HB VAL 38 HB VAL 38 9.393 4.748 -7.248 332 1HG1 VAL 38 1HG1 VAL 38 8.413 4.099 -5.216 333 2HG1 VAL 38 2HG1 VAL 38 9.595 2.821 -5.494 334 3HG1 VAL 38 3HG1 VAL 38 7.893 2.539 -5.853 335 1HG2 VAL 38 1HG2 VAL 38 9.197 1.914 -8.285 336 2HG2 VAL 38 2HG2 VAL 38 10.625 2.524 -7.451 337 3HG2 VAL 38 3HG2 VAL 38 10.115 3.255 -8.971 338 H LEU 39 H LEU 39 6.429 3.567 -5.762 339 HA LEU 39 HA LEU 39 5.309 6.302 -5.611 340 1HB LEU 39 1HB LEU 39 3.987 3.690 -5.484 341 2HB LEU 39 2HB LEU 39 3.642 4.682 -4.071 342 HG LEU 39 HG LEU 39 3.115 6.578 -5.707 343 1HD1 LEU 39 1HD1 LEU 39 4.034 5.852 -7.762 344 2HD1 LEU 39 2HD1 LEU 39 2.303 5.580 -7.964 345 3HD1 LEU 39 3HD1 LEU 39 3.368 4.228 -7.587 346 1HD2 LEU 39 1HD2 LEU 39 1.446 4.054 -5.605 347 2HD2 LEU 39 2HD2 LEU 39 0.848 5.590 -6.232 348 3HD2 LEU 39 3HD2 LEU 39 1.331 5.455 -4.540 349 H LEU 40 H LEU 40 5.948 7.407 -3.847 350 HA LEU 40 HA LEU 40 6.933 5.863 -1.519 351 1HB LEU 40 1HB LEU 40 8.282 7.794 -3.114 352 2HB LEU 40 2HB LEU 40 7.929 8.587 -1.583 353 HG LEU 40 HG LEU 40 9.103 5.811 -1.587 354 1HD1 LEU 40 1HD1 LEU 40 11.360 6.853 -1.504 355 2HD1 LEU 40 2HD1 LEU 40 10.630 8.412 -1.888 356 3HD1 LEU 40 3HD1 LEU 40 10.568 7.098 -3.061 357 1HD2 LEU 40 1HD2 LEU 40 8.202 7.161 0.466 358 2HD2 LEU 40 2HD2 LEU 40 9.688 8.095 0.294 359 3HD2 LEU 40 3HD2 LEU 40 9.768 6.361 0.603 360 H ILE 41 H ILE 41 6.368 6.603 0.544 361 HA ILE 41 HA ILE 41 4.426 8.820 0.676 362 HB ILE 41 HB ILE 41 3.955 6.027 1.733 363 1HG1 ILE 41 1HG1 ILE 41 2.442 7.681 -0.314 364 2HG1 ILE 41 2HG1 ILE 41 3.548 6.367 -0.707 365 1HG2 ILE 41 1HG2 ILE 41 3.104 7.584 3.352 366 2HG2 ILE 41 2HG2 ILE 41 1.722 7.046 2.401 367 3HG2 ILE 41 3HG2 ILE 41 2.443 8.625 2.092 368 1HD1 ILE 41 1HD1 ILE 41 1.310 5.465 -0.723 369 2HD1 ILE 41 2HD1 ILE 41 0.966 6.164 0.860 370 3HD1 ILE 41 3HD1 ILE 41 2.129 4.846 0.711 371 H LEU 42 H LEU 42 4.471 9.991 2.500 372 HA LEU 42 HA LEU 42 6.702 9.931 4.198 373 1HB LEU 42 1HB LEU 42 4.032 11.295 4.268 374 2HB LEU 42 2HB LEU 42 5.080 11.397 5.679 375 HG LEU 42 HG LEU 42 5.366 13.285 4.025 376 1HD1 LEU 42 1HD1 LEU 42 7.612 13.469 4.492 377 2HD1 LEU 42 2HD1 LEU 42 7.959 11.801 4.044 378 3HD1 LEU 42 3HD1 LEU 42 7.212 12.159 5.601 379 1HD2 LEU 42 1HD2 LEU 42 6.363 12.883 1.899 380 2HD2 LEU 42 2HD2 LEU 42 5.073 11.689 2.037 381 3HD2 LEU 42 3HD2 LEU 42 6.748 11.214 2.310 382 H LEU 43 H LEU 43 7.199 8.807 5.961 383 HA LEU 43 HA LEU 43 5.202 7.774 7.775 384 1HB LEU 43 1HB LEU 43 5.323 6.085 5.863 385 2HB LEU 43 2HB LEU 43 6.972 5.756 6.389 386 HG LEU 43 HG LEU 43 6.044 5.295 8.702 387 1HD1 LEU 43 1HD1 LEU 43 3.503 4.564 8.454 388 2HD1 LEU 43 2HD1 LEU 43 3.500 5.790 7.188 389 3HD1 LEU 43 3HD1 LEU 43 3.922 6.231 8.841 390 1HD2 LEU 43 1HD2 LEU 43 6.589 3.543 6.926 391 2HD2 LEU 43 2HD2 LEU 43 4.866 3.503 6.561 392 3HD2 LEU 43 3HD2 LEU 43 5.440 3.037 8.162 393 H GLU 44 H GLU 44 6.104 8.331 9.671 394 HA GLU 44 HA GLU 44 9.004 8.467 9.930 395 1HB GLU 44 1HB GLU 44 8.167 9.214 12.363 396 2HB GLU 44 2HB GLU 44 8.173 10.318 10.988 397 1HG GLU 44 1HG GLU 44 5.858 10.104 10.641 398 2HG GLU 44 2HG GLU 44 5.764 8.599 11.553 399 H ASN 45 H ASN 45 6.529 7.197 12.181 400 HA ASN 45 HA ASN 45 7.913 5.716 13.886 401 1HB ASN 45 1HB ASN 45 5.403 4.953 12.415 402 2HB ASN 45 2HB ASN 45 6.090 3.896 13.647 403 1HD2 ASN 45 1HD2 ASN 45 4.871 7.233 13.145 404 2HD2 ASN 45 2HD2 ASN 45 4.457 7.486 14.771 405 H GLU 46 H GLU 46 9.922 5.061 13.088 406 HA GLU 46 HA GLU 46 10.683 3.636 10.927 407 1HB GLU 46 1HB GLU 46 12.297 4.228 12.600 408 2HB GLU 46 2HB GLU 46 11.519 3.196 13.799 409 1HG GLU 46 1HG GLU 46 12.185 1.208 12.678 410 2HG GLU 46 2HG GLU 46 12.611 2.087 11.209 411 H PHE 47 H PHE 47 8.971 2.292 13.731 412 HA PHE 47 HA PHE 47 9.145 -0.424 12.957 413 1HB PHE 47 1HB PHE 47 6.902 0.888 14.511 414 2HB PHE 47 2HB PHE 47 7.364 -0.814 14.542 415 HD1 PHE 47 HD1 PHE 47 9.250 -1.585 15.823 416 HD2 PHE 47 HD2 PHE 47 8.417 2.615 15.476 417 HE1 PHE 47 HE1 PHE 47 10.891 -1.111 17.621 418 HE2 PHE 47 HE2 PHE 47 10.058 3.089 17.275 419 HZ PHE 47 HZ PHE 47 11.295 1.226 18.347 420 H ALA 48 H ALA 48 6.268 1.671 12.813 421 HA ALA 48 HA ALA 48 4.548 0.278 11.330 422 1HB ALA 48 1HB ALA 48 5.240 3.178 10.830 423 2HB ALA 48 2HB ALA 48 4.129 2.573 12.059 424 3HB ALA 48 3HB ALA 48 3.742 2.381 10.349 425 H ARG 49 H ARG 49 7.524 1.703 10.121 426 HA ARG 49 HA ARG 49 6.883 1.201 7.340 427 1HB ARG 49 1HB ARG 49 9.704 1.712 8.006 428 2HB ARG 49 2HB ARG 49 8.644 2.547 6.874 429 1HG ARG 49 1HG ARG 49 7.512 3.542 8.972 430 2HG ARG 49 2HG ARG 49 8.926 2.970 9.837 431 1HD ARG 49 1HD ARG 49 9.100 4.726 7.387 432 2HD ARG 49 2HD ARG 49 9.083 5.361 9.029 433 HE ARG 49 HE ARG 49 11.100 3.329 8.518 434 1HH1 ARG 49 1HH1 ARG 49 10.250 6.683 8.575 435 2HH1 ARG 49 2HH1 ARG 49 11.884 7.236 8.733 436 1HH2 ARG 49 1HH2 ARG 49 13.244 4.045 8.728 437 2HH2 ARG 49 2HH2 ARG 49 13.579 5.742 8.821 438 H ASN 50 H ASN 50 8.711 -0.396 9.892 439 HA ASN 50 HA ASN 50 10.093 -2.170 8.147 440 1HB ASN 50 1HB ASN 50 10.711 -1.614 10.559 441 2HB ASN 50 2HB ASN 50 9.428 -2.723 11.042 442 1HD2 ASN 50 1HD2 ASN 50 10.396 -4.093 8.251 443 2HD2 ASN 50 2HD2 ASN 50 11.636 -5.104 8.814 444 H SER 51 H SER 51 6.922 -2.043 9.440 445 HA SER 51 HA SER 51 6.331 -4.873 8.971 446 1HB SER 51 1HB SER 51 5.188 -2.712 10.523 447 2HB SER 51 2HB SER 51 3.959 -3.503 9.542 448 HG SER 51 HG SER 51 4.571 -4.413 11.719 449 H LEU 52 H LEU 52 4.891 -1.775 7.948 450 HA LEU 52 HA LEU 52 3.212 -2.715 5.978 451 1HB LEU 52 1HB LEU 52 4.785 -0.138 6.070 452 2HB LEU 52 2HB LEU 52 3.487 -0.456 4.921 453 HG LEU 52 HG LEU 52 3.086 -0.741 7.903 454 1HD1 LEU 52 1HD1 LEU 52 2.176 1.535 7.897 455 2HD1 LEU 52 2HD1 LEU 52 2.575 1.706 6.188 456 3HD1 LEU 52 3HD1 LEU 52 3.861 1.557 7.383 457 1HD2 LEU 52 1HD2 LEU 52 1.292 -1.762 6.774 458 2HD2 LEU 52 2HD2 LEU 52 1.330 -0.597 5.452 459 3HD2 LEU 52 3HD2 LEU 52 0.692 -0.126 7.025 460 H ASN 53 H ASN 53 6.689 -2.103 5.730 461 HA ASN 53 HA ASN 53 6.575 -2.766 2.873 462 1HB ASN 53 1HB ASN 53 7.933 -0.825 3.643 463 2HB ASN 53 2HB ASN 53 8.967 -1.941 4.533 464 1HD2 ASN 53 1HD2 ASN 53 10.886 -1.878 3.289 465 2HD2 ASN 53 2HD2 ASN 53 10.947 -2.253 1.636 466 H ASP 54 H ASP 54 7.241 -4.421 5.824 467 HA ASP 54 HA ASP 54 8.967 -6.351 4.463 468 1HB ASP 54 1HB ASP 54 9.560 -5.776 6.755 469 2HB ASP 54 2HB ASP 54 7.965 -6.280 7.318 470 H ASN 55 H ASN 55 5.692 -5.941 5.480 471 HA ASN 55 HA ASN 55 4.873 -8.323 4.043 472 1HB ASN 55 1HB ASN 55 3.521 -9.083 6.119 473 2HB ASN 55 2HB ASN 55 5.237 -9.479 6.053 474 1HD2 ASN 55 1HD2 ASN 55 3.903 -6.240 6.772 475 2HD2 ASN 55 2HD2 ASN 55 4.492 -6.180 8.363 476 H SER 56 H SER 56 3.625 -7.017 2.742 477 HA SER 56 HA SER 56 1.084 -6.195 3.830 478 1HB SER 56 1HB SER 56 2.739 -4.287 4.300 479 2HB SER 56 2HB SER 56 2.740 -4.019 2.558 480 HG SER 56 HG SER 56 0.835 -3.451 4.438 481 H GLU 57 H GLU 57 3.182 -5.412 1.045 482 HA GLU 57 HA GLU 57 2.899 -5.770 -1.211 483 1HB GLU 57 1HB GLU 57 0.495 -7.476 -0.591 484 2HB GLU 57 2HB GLU 57 1.583 -7.572 -1.975 485 1HG GLU 57 1HG GLU 57 3.418 -8.013 -0.133 486 2HG GLU 57 2HG GLU 57 2.034 -8.484 0.852 487 H ILE 58 H ILE 58 2.003 -3.433 -0.308 488 HA ILE 58 HA ILE 58 -0.723 -2.841 -0.709 489 HB ILE 58 HB ILE 58 1.593 -0.965 -1.205 490 1HG1 ILE 58 1HG1 ILE 58 1.961 -2.064 0.937 491 2HG1 ILE 58 2HG1 ILE 58 1.375 -0.428 1.231 492 1HG2 ILE 58 1HG2 ILE 58 -0.125 0.643 -0.188 493 2HG2 ILE 58 2HG2 ILE 58 -1.314 -0.634 -0.441 494 3HG2 ILE 58 3HG2 ILE 58 -0.462 0.067 -1.818 495 1HD1 ILE 58 1HD1 ILE 58 -0.989 -1.536 1.282 496 2HD1 ILE 58 2HD1 ILE 58 0.060 -1.720 2.687 497 3HD1 ILE 58 3HD1 ILE 58 -0.098 -3.039 1.527 498 H ILE 59 H ILE 59 1.397 -4.066 -2.885 499 HA ILE 59 HA ILE 59 0.537 -2.521 -5.207 500 HB ILE 59 HB ILE 59 2.803 -3.177 -5.315 501 1HG1 ILE 59 1HG1 ILE 59 1.417 -5.373 -6.875 502 2HG1 ILE 59 2HG1 ILE 59 1.367 -3.683 -7.378 503 1HG2 ILE 59 1HG2 ILE 59 1.800 -5.878 -4.407 504 2HG2 ILE 59 2HG2 ILE 59 2.926 -4.805 -3.576 505 3HG2 ILE 59 3HG2 ILE 59 3.425 -5.636 -5.049 506 1HD1 ILE 59 1HD1 ILE 59 3.971 -3.789 -7.145 507 2HD1 ILE 59 2HD1 ILE 59 3.219 -4.521 -8.560 508 3HD1 ILE 59 3HD1 ILE 59 3.738 -5.535 -7.215 509 H HIS 60 H HIS 60 -0.654 -5.012 -3.358 510 HA HIS 60 HA HIS 60 -1.842 -6.664 -5.417 511 1HB HIS 60 1HB HIS 60 -1.790 -6.556 -2.460 512 2HB HIS 60 2HB HIS 60 -3.263 -7.215 -3.164 513 HD1 HIS 60 HD1 HIS 60 -0.161 -8.367 -1.974 514 HD2 HIS 60 HD2 HIS 60 -2.348 -9.182 -5.427 515 HE1 HIS 60 HE1 HIS 60 0.699 -10.576 -2.860 516 HE2 HIS 60 HE2 HIS 60 -0.624 -11.088 -4.966 517 H LEU 61 H LEU 61 -2.704 -3.728 -3.772 518 HA LEU 61 HA LEU 61 -5.432 -3.891 -4.926 519 1HB LEU 61 1HB LEU 61 -4.942 -1.753 -2.967 520 2HB LEU 61 2HB LEU 61 -6.261 -2.918 -3.058 521 HG LEU 61 HG LEU 61 -4.553 -4.658 -2.240 522 1HD1 LEU 61 1HD1 LEU 61 -3.017 -2.630 -0.813 523 2HD1 LEU 61 2HD1 LEU 61 -2.805 -2.484 -2.556 524 3HD1 LEU 61 3HD1 LEU 61 -2.447 -4.009 -1.750 525 1HD2 LEU 61 1HD2 LEU 61 -4.713 -3.584 0.172 526 2HD2 LEU 61 2HD2 LEU 61 -6.174 -4.115 -0.657 527 3HD2 LEU 61 3HD2 LEU 61 -5.740 -2.406 -0.643 528 H ALA 62 H ALA 62 -2.616 -1.828 -4.436 529 HA ALA 62 HA ALA 62 -3.459 0.487 -5.774 530 1HB ALA 62 1HB ALA 62 -1.347 0.132 -4.407 531 2HB ALA 62 2HB ALA 62 -1.166 1.066 -5.892 532 3HB ALA 62 3HB ALA 62 -0.658 -0.622 -5.846 533 H GLU 63 H GLU 63 -2.649 -2.645 -6.992 534 HA GLU 63 HA GLU 63 -1.848 -1.849 -9.608 535 1HB GLU 63 1HB GLU 63 -2.222 -4.252 -10.173 536 2HB GLU 63 2HB GLU 63 -1.187 -4.013 -8.767 537 1HG GLU 63 1HG GLU 63 -2.590 -5.476 -7.733 538 2HG GLU 63 2HG GLU 63 -3.680 -4.101 -7.600 539 H SER 64 H SER 64 -4.826 -1.637 -8.134 540 HA SER 64 HA SER 64 -6.301 -2.141 -10.630 541 1HB SER 64 1HB SER 64 -7.422 -1.485 -7.895 542 2HB SER 64 2HB SER 64 -8.321 -2.064 -9.294 543 HG SER 64 HG SER 64 -7.630 -4.028 -8.918 544 H LEU 65 H LEU 65 -5.452 0.401 -8.353 545 HA LEU 65 HA LEU 65 -6.979 2.393 -9.856 546 1HB LEU 65 1HB LEU 65 -6.769 2.402 -7.314 547 2HB LEU 65 2HB LEU 65 -5.090 2.880 -7.549 548 HG LEU 65 HG LEU 65 -6.158 4.724 -9.124 549 1HD1 LEU 65 1HD1 LEU 65 -8.465 3.796 -8.893 550 2HD1 LEU 65 2HD1 LEU 65 -8.352 5.467 -8.347 551 3HD1 LEU 65 3HD1 LEU 65 -8.407 4.157 -7.168 552 1HD2 LEU 65 1HD2 LEU 65 -6.377 4.919 -6.107 553 2HD2 LEU 65 2HD2 LEU 65 -6.182 6.261 -7.233 554 3HD2 LEU 65 3HD2 LEU 65 -4.875 5.102 -7.010 555 H TYR 66 H TYR 66 -3.684 1.334 -9.313 556 HA TYR 66 HA TYR 66 -2.733 3.271 -11.349 557 1HB TYR 66 1HB TYR 66 -1.334 2.091 -8.946 558 2HB TYR 66 2HB TYR 66 -0.486 2.947 -10.230 559 HD1 TYR 66 HD1 TYR 66 -1.649 5.294 -10.888 560 HD2 TYR 66 HD2 TYR 66 -1.970 3.325 -7.083 561 HE1 TYR 66 HE1 TYR 66 -2.203 7.458 -9.812 562 HE2 TYR 66 HE2 TYR 66 -2.526 5.488 -6.008 563 HH TYR 66 HH TYR 66 -3.288 7.639 -6.499 564 H GLU 67 H GLU 67 -2.545 2.170 -13.224 565 HA GLU 67 HA GLU 67 -1.889 -0.660 -13.247 566 1HB GLU 67 1HB GLU 67 -2.308 1.299 -15.517 567 2HB GLU 67 2HB GLU 67 -2.126 -0.445 -15.694 568 1HG GLU 67 1HG GLU 67 -4.122 -0.784 -14.264 569 2HG GLU 67 2HG GLU 67 -4.320 0.963 -14.148 570 H GLY 68 H GLY 68 0.118 -1.422 -13.263 571 1HA GLY 68 1HA GLY 68 2.269 -1.594 -14.339 572 2HA GLY 68 2HA GLY 68 2.246 0.150 -14.580 573 H ILE 69 H ILE 69 1.121 -0.881 -11.517 574 HA ILE 69 HA ILE 69 3.076 0.531 -10.085 575 HB ILE 69 HB ILE 69 1.129 -1.628 -9.280 576 1HG1 ILE 69 1HG1 ILE 69 0.557 0.861 -9.992 577 2HG1 ILE 69 2HG1 ILE 69 -0.241 0.123 -8.608 578 1HG2 ILE 69 1HG2 ILE 69 2.813 -1.872 -7.645 579 2HG2 ILE 69 2HG2 ILE 69 1.685 -0.734 -6.911 580 3HG2 ILE 69 3HG2 ILE 69 3.182 -0.148 -7.637 581 1HD1 ILE 69 1HD1 ILE 69 2.331 1.652 -8.243 582 2HD1 ILE 69 2HD1 ILE 69 1.075 1.307 -7.056 583 3HD1 ILE 69 3HD1 ILE 69 0.790 2.502 -8.319 584 H LYS 70 H LYS 70 5.118 0.078 -9.672 585 HA LYS 70 HA LYS 70 6.198 -2.577 -10.200 586 1HB LYS 70 1HB LYS 70 7.326 0.143 -9.652 587 2HB LYS 70 2HB LYS 70 8.343 -1.270 -9.379 588 1HG LYS 70 1HG LYS 70 6.822 -1.077 -11.961 589 2HG LYS 70 2HG LYS 70 8.274 -0.095 -11.761 590 1HD LYS 70 1HD LYS 70 9.568 -2.118 -11.187 591 2HD LYS 70 2HD LYS 70 8.120 -3.104 -11.395 592 1HE LYS 70 1HE LYS 70 7.980 -2.460 -13.749 593 2HE LYS 70 2HE LYS 70 9.361 -1.381 -13.560 594 1HZ LYS 70 1HZ LYS 70 9.818 -3.669 -14.502 595 2HZ LYS 70 2HZ LYS 70 9.530 -4.268 -12.938 596 3HZ LYS 70 3HZ LYS 70 10.799 -3.173 -13.210 597 H SER 71 H SER 71 5.517 -0.438 -7.504 598 HA SER 71 HA SER 71 5.243 -2.419 -5.578 599 1HB SER 71 1HB SER 71 7.505 -3.034 -5.622 600 2HB SER 71 2HB SER 71 8.048 -1.379 -5.881 601 HG SER 71 HG SER 71 8.337 -2.193 -3.709 602 H VAL 72 H VAL 72 6.016 -1.269 -3.267 603 HA VAL 72 HA VAL 72 5.283 1.570 -3.338 604 HB VAL 72 HB VAL 72 3.820 -0.423 -1.588 605 1HG1 VAL 72 1HG1 VAL 72 3.978 1.763 -0.559 606 2HG1 VAL 72 2HG1 VAL 72 2.346 1.585 -1.202 607 3HG1 VAL 72 3HG1 VAL 72 3.535 2.555 -2.071 608 1HG2 VAL 72 1HG2 VAL 72 3.013 -0.797 -3.798 609 2HG2 VAL 72 2HG2 VAL 72 3.087 0.918 -4.199 610 3HG2 VAL 72 3HG2 VAL 72 1.857 0.327 -3.083 611 H ASN 73 H ASN 73 6.175 2.755 -1.741 612 HA ASN 73 HA ASN 73 7.627 1.372 0.428 613 1HB ASN 73 1HB ASN 73 9.078 1.835 -1.638 614 2HB ASN 73 2HB ASN 73 8.929 3.537 -1.201 615 1HD2 ASN 73 1HD2 ASN 73 10.256 0.418 -0.151 616 2HD2 ASN 73 2HD2 ASN 73 11.256 1.060 1.062 617 H PHE 74 H PHE 74 8.258 2.740 2.153 618 HA PHE 74 HA PHE 74 7.175 5.449 2.271 619 1HB PHE 74 1HB PHE 74 6.477 3.999 4.706 620 2HB PHE 74 2HB PHE 74 5.471 5.038 3.704 621 HD1 PHE 74 HD1 PHE 74 7.131 1.674 3.434 622 HD2 PHE 74 HD2 PHE 74 3.601 4.025 2.751 623 HE1 PHE 74 HE1 PHE 74 5.968 -0.329 2.544 624 HE2 PHE 74 HE2 PHE 74 2.441 2.024 1.859 625 HZ PHE 74 HZ PHE 74 3.626 -0.153 1.756 626 H VAL 75 H VAL 75 8.392 6.759 3.629 627 HA VAL 75 HA VAL 75 10.265 5.500 5.503 628 HB VAL 75 HB VAL 75 12.216 6.611 4.548 629 1HG1 VAL 75 1HG1 VAL 75 10.772 5.107 2.355 630 2HG1 VAL 75 2HG1 VAL 75 11.480 4.313 3.763 631 3HG1 VAL 75 3HG1 VAL 75 12.510 5.191 2.634 632 1HG2 VAL 75 1HG2 VAL 75 11.920 7.598 2.206 633 2HG2 VAL 75 2HG2 VAL 75 11.266 8.557 3.534 634 3HG2 VAL 75 3HG2 VAL 75 10.187 7.591 2.530 635 H ASN 76 H ASN 76 11.863 7.592 6.125 636 HA ASN 76 HA ASN 76 10.057 9.303 7.586 637 1HB ASN 76 1HB ASN 76 12.534 10.362 8.045 638 2HB ASN 76 2HB ASN 76 11.836 9.031 8.963 639 1HD2 ASN 76 1HD2 ASN 76 14.061 9.783 6.276 640 2HD2 ASN 76 2HD2 ASN 76 14.859 8.285 6.310 641 H GLU 77 H GLU 77 10.242 11.631 7.606 642 HA GLU 77 HA GLU 77 9.729 12.823 5.175 643 1HB GLU 77 1HB GLU 77 10.315 14.993 6.430 644 2HB GLU 77 2HB GLU 77 9.031 13.982 7.096 645 1HG GLU 77 1HG GLU 77 10.482 13.066 8.758 646 2HG GLU 77 2HG GLU 77 11.913 13.732 7.973 647 H GLN 78 H GLN 78 12.875 12.318 6.698 648 HA GLN 78 HA GLN 78 14.208 14.149 4.918 649 1HB GLN 78 1HB GLN 78 15.256 12.033 6.812 650 2HB GLN 78 2HB GLN 78 16.301 13.075 5.848 651 1HG GLN 78 1HG GLN 78 15.582 15.030 6.967 652 2HG GLN 78 2HG GLN 78 14.158 14.231 7.629 653 1HE2 GLN 78 1HE2 GLN 78 16.995 15.448 8.672 654 2HE2 GLN 78 2HE2 GLN 78 17.360 14.358 9.920 655 H ASP 79 H ASP 79 14.273 10.588 5.253 656 HA ASP 79 HA ASP 79 15.746 10.047 2.944 657 1HB ASP 79 1HB ASP 79 15.266 8.313 4.578 658 2HB ASP 79 2HB ASP 79 13.542 8.427 4.236 659 H PHE 80 H PHE 80 12.197 10.219 3.357 660 HA PHE 80 HA PHE 80 11.424 9.700 0.743 661 1HB PHE 80 1HB PHE 80 9.643 9.842 2.233 662 2HB PHE 80 2HB PHE 80 10.257 11.313 2.987 663 HD1 PHE 80 HD1 PHE 80 8.239 9.928 0.283 664 HD2 PHE 80 HD2 PHE 80 10.071 13.504 1.801 665 HE1 PHE 80 HE1 PHE 80 6.809 11.294 -1.212 666 HE2 PHE 80 HE2 PHE 80 8.641 14.870 0.307 667 HZ PHE 80 HZ PHE 80 7.010 13.766 -1.200 668 H PHE 81 H PHE 81 12.420 12.772 2.239 669 HA PHE 81 HA PHE 81 12.020 14.308 -0.155 670 1HB PHE 81 1HB PHE 81 12.038 15.173 2.258 671 2HB PHE 81 2HB PHE 81 13.797 15.100 2.143 672 HD1 PHE 81 HD1 PHE 81 10.741 16.669 0.766 673 HD2 PHE 81 HD2 PHE 81 15.037 16.623 0.732 674 HE1 PHE 81 HE1 PHE 81 10.754 18.813 -0.481 675 HE2 PHE 81 HE2 PHE 81 15.048 18.768 -0.513 676 HZ PHE 81 HZ PHE 81 12.907 19.863 -1.118 677 H PHE 82 H PHE 82 14.435 12.130 0.865 678 HA PHE 82 HA PHE 82 16.674 13.385 -0.427 679 1HB PHE 82 1HB PHE 82 16.777 11.627 1.430 680 2HB PHE 82 2HB PHE 82 16.392 10.441 0.183 681 HD1 PHE 82 HD1 PHE 82 17.996 9.821 -1.509 682 HD2 PHE 82 HD2 PHE 82 18.877 12.946 1.305 683 HE1 PHE 82 HE1 PHE 82 20.373 9.791 -2.219 684 HE2 PHE 82 HE2 PHE 82 21.253 12.914 0.595 685 HZ PHE 82 HZ PHE 82 22.000 11.338 -1.167 686 H ASN 83 H ASN 83 14.269 10.950 -1.279 687 HA ASN 83 HA ASN 83 15.410 10.282 -3.814 688 1HB ASN 83 1HB ASN 83 13.820 8.810 -2.610 689 2HB ASN 83 2HB ASN 83 12.547 10.003 -2.865 690 1HD2 ASN 83 1HD2 ASN 83 11.841 10.383 -5.125 691 2HD2 ASN 83 2HD2 ASN 83 12.131 9.209 -6.316 692 H LEU 84 H LEU 84 13.143 12.693 -2.659 693 HA LEU 84 HA LEU 84 12.265 13.560 -5.247 694 1HB LEU 84 1HB LEU 84 10.985 13.886 -3.104 695 2HB LEU 84 2HB LEU 84 12.198 15.067 -2.620 696 HG LEU 84 HG LEU 84 11.698 16.353 -4.721 697 1HD1 LEU 84 1HD1 LEU 84 9.740 14.094 -5.016 698 2HD1 LEU 84 2HD1 LEU 84 10.717 14.895 -6.247 699 3HD1 LEU 84 3HD1 LEU 84 9.286 15.695 -5.602 700 1HD2 LEU 84 1HD2 LEU 84 9.323 15.850 -2.902 701 2HD2 LEU 84 2HD2 LEU 84 9.591 17.291 -3.882 702 3HD2 LEU 84 3HD2 LEU 84 10.671 16.927 -2.536 703 H ALA 85 H ALA 85 15.058 14.022 -3.349 704 HA ALA 85 HA ALA 85 15.790 16.583 -4.501 705 1HB ALA 85 1HB ALA 85 17.929 16.197 -3.256 706 2HB ALA 85 2HB ALA 85 17.278 14.649 -2.716 707 3HB ALA 85 3HB ALA 85 16.492 16.152 -2.233 708 H LYS 86 H LYS 86 16.429 13.185 -5.042 709 HA LYS 86 HA LYS 86 18.741 13.119 -6.478 710 1HB LYS 86 1HB LYS 86 17.236 11.172 -6.025 711 2HB LYS 86 2HB LYS 86 16.202 11.724 -7.343 712 1HG LYS 86 1HG LYS 86 18.007 11.481 -8.944 713 2HG LYS 86 2HG LYS 86 19.153 11.106 -7.657 714 1HD LYS 86 1HD LYS 86 16.685 9.416 -7.955 715 2HD LYS 86 2HD LYS 86 18.044 9.151 -9.046 716 1HE LYS 86 1HE LYS 86 19.428 8.385 -7.361 717 2HE LYS 86 2HE LYS 86 18.639 9.360 -6.120 718 1HZ LYS 86 1HZ LYS 86 18.249 6.826 -6.176 719 2HZ LYS 86 2HZ LYS 86 17.165 7.179 -7.437 720 3HZ LYS 86 3HZ LYS 86 16.931 7.857 -5.897 721 H LEU 87 H LEU 87 15.534 13.846 -7.866 722 HA LEU 87 HA LEU 87 16.028 14.249 -10.476 723 1HB LEU 87 1HB LEU 87 14.382 15.857 -8.546 724 2HB LEU 87 2HB LEU 87 14.489 16.351 -10.236 725 HG LEU 87 HG LEU 87 13.711 14.131 -10.951 726 1HD1 LEU 87 1HD1 LEU 87 12.831 12.584 -9.145 727 2HD1 LEU 87 2HD1 LEU 87 13.675 13.594 -7.970 728 3HD1 LEU 87 3HD1 LEU 87 14.588 12.725 -9.204 729 1HD2 LEU 87 1HD2 LEU 87 12.011 15.830 -10.542 730 2HD2 LEU 87 2HD2 LEU 87 11.996 15.446 -8.821 731 3HD2 LEU 87 3HD2 LEU 87 11.401 14.269 -9.992 732 H GLU 88 H GLU 88 17.906 14.990 -11.286 733 HA GLU 88 HA GLU 88 19.448 17.091 -10.163 734 1HB GLU 88 1HB GLU 88 19.521 16.156 -13.035 735 2HB GLU 88 2HB GLU 88 20.827 16.894 -12.107 736 1HG GLU 88 1HG GLU 88 20.799 14.943 -10.565 737 2HG GLU 88 2HG GLU 88 19.554 14.195 -11.565 738 H GLU 89 H GLU 89 19.971 19.134 -11.274 739 HA GLU 89 HA GLU 89 17.792 20.238 -12.913 740 1HB GLU 89 1HB GLU 89 17.796 22.298 -11.484 741 2HB GLU 89 2HB GLU 89 17.154 20.871 -10.672 742 1HG GLU 89 1HG GLU 89 18.622 21.833 -9.084 743 2HG GLU 89 2HG GLU 89 19.551 20.514 -9.791 744 H ASN 90 H ASN 90 20.767 19.484 -13.094 745 HA ASN 90 HA ASN 90 22.285 21.843 -13.404 746 1HB ASN 90 1HB ASN 90 23.855 20.461 -14.639 747 2HB ASN 90 2HB ASN 90 23.249 19.556 -13.253 748 1HD2 ASN 90 1HD2 ASN 90 21.069 18.271 -13.895 749 2HD2 ASN 90 2HD2 ASN 90 21.169 17.422 -15.362 750 H SER 91 H SER 91 22.922 20.603 -16.280 751 HA SER 91 HA SER 91 20.764 21.749 -17.847 752 1HB SER 91 1HB SER 91 22.348 23.654 -17.097 753 2HB SER 91 2HB SER 91 23.499 22.950 -18.229 754 HG SER 91 HG SER 91 21.715 23.076 -19.789 755 H ARG 92 H ARG 92 22.539 22.167 -20.141 756 HA ARG 92 HA ARG 92 22.607 19.444 -21.080 757 1HB ARG 92 1HB ARG 92 23.705 21.899 -22.461 758 2HB ARG 92 2HB ARG 92 23.210 20.378 -23.204 759 1HG ARG 92 1HG ARG 92 21.361 22.265 -21.713 760 2HG ARG 92 2HG ARG 92 21.479 22.141 -23.468 761 1HD ARG 92 1HD ARG 92 19.677 20.728 -23.017 762 2HD ARG 92 2HD ARG 92 21.020 19.591 -23.050 763 HE ARG 92 HE ARG 92 20.866 20.346 -20.424 764 1HH1 ARG 92 1HH1 ARG 92 18.645 19.131 -22.781 765 2HH1 ARG 92 2HH1 ARG 92 17.662 18.293 -21.627 766 1HH2 ARG 92 1HH2 ARG 92 19.582 19.249 -18.901 767 2HH2 ARG 92 2HH2 ARG 92 18.193 18.360 -19.430 768 H ASP 93 H ASP 93 24.173 18.894 -19.253 769 HA ASP 93 HA ASP 93 26.825 18.691 -20.400 770 1HB ASP 93 1HB ASP 93 26.814 20.904 -19.186 771 2HB ASP 93 2HB ASP 93 26.534 20.007 -17.695 772 H THR 94 H THR 94 24.299 17.586 -18.522 773 HA THR 94 HA THR 94 25.673 15.928 -16.655 774 HB THR 94 HB THR 94 23.417 16.358 -16.135 775 HG1 THR 94 HG1 THR 94 23.451 13.799 -17.355 776 1HG2 THR 94 1HG2 THR 94 21.588 15.745 -17.796 777 2HG2 THR 94 2HG2 THR 94 22.864 15.563 -19.000 778 3HG2 THR 94 3HG2 THR 94 22.583 17.130 -18.241 779 H LEU 95 H LEU 95 26.565 13.961 -16.886 780 HA LEU 95 HA LEU 95 27.052 12.886 -19.464 781 1HB LEU 95 1HB LEU 95 27.593 10.826 -17.711 782 2HB LEU 95 2HB LEU 95 28.721 12.112 -18.139 783 HG LEU 95 HG LEU 95 26.717 12.508 -15.917 784 1HD1 LEU 95 1HD1 LEU 95 27.911 10.460 -15.369 785 2HD1 LEU 95 2HD1 LEU 95 28.470 11.778 -14.340 786 3HD1 LEU 95 3HD1 LEU 95 29.454 11.245 -15.704 787 1HD2 LEU 95 1HD2 LEU 95 29.497 13.601 -15.906 788 2HD2 LEU 95 2HD2 LEU 95 27.989 14.361 -15.397 789 3HD2 LEU 95 3HD2 LEU 95 28.394 14.266 -17.110 790 H TYR 96 H TYR 96 24.953 12.628 -20.383 791 HA TYR 96 HA TYR 96 23.640 10.122 -19.545 792 1HB TYR 96 1HB TYR 96 22.377 12.134 -18.686 793 2HB TYR 96 2HB TYR 96 22.112 12.599 -20.367 794 HD1 TYR 96 HD1 TYR 96 21.507 9.919 -17.859 795 HD2 TYR 96 HD2 TYR 96 20.483 11.498 -21.720 796 HE1 TYR 96 HE1 TYR 96 19.594 8.348 -17.993 797 HE2 TYR 96 HE2 TYR 96 18.570 9.926 -21.855 798 HH TYR 96 HH TYR 96 17.354 8.415 -20.761 799 H GLN 97 H GLN 97 25.266 11.679 -21.878 800 HA GLN 97 HA GLN 97 24.300 9.914 -23.949 801 1HB GLN 97 1HB GLN 97 22.691 11.787 -24.121 802 2HB GLN 97 2HB GLN 97 24.037 12.906 -24.339 803 1HG GLN 97 1HG GLN 97 24.705 11.793 -26.387 804 2HG GLN 97 2HG GLN 97 23.504 10.527 -26.139 805 1HE2 GLN 97 1HE2 GLN 97 23.320 14.133 -25.955 806 2HE2 GLN 97 2HE2 GLN 97 22.001 14.257 -27.016 807 H ASN 98 H ASN 98 26.458 9.178 -23.851 808 HA ASN 98 HA ASN 98 28.303 10.776 -25.452 809 1HB ASN 98 1HB ASN 98 28.686 11.321 -22.985 810 2HB ASN 98 2HB ASN 98 29.242 9.657 -22.813 811 1HD2 ASN 98 1HD2 ASN 98 30.114 12.827 -23.981 812 2HD2 ASN 98 2HD2 ASN 98 31.656 12.408 -24.555 813 H SER 99 H SER 99 30.434 9.413 -25.700 814 HA SER 99 HA SER 99 30.099 6.550 -25.547 815 1HB SER 99 1HB SER 99 29.902 6.048 -27.832 816 2HB SER 99 2HB SER 99 28.769 7.377 -27.606 817 HG SER 99 HG SER 99 31.347 7.385 -28.757 818 H GLY 100 H GLY 100 31.983 5.442 -26.700 819 1HA GLY 100 1HA GLY 100 34.241 5.290 -27.236 820 2HA GLY 100 2HA GLY 100 34.344 7.047 -27.168 Start of MODEL 20 1 H MET 1 H MET 1 -9.946 13.734 -9.839 2 HA MET 1 HA MET 1 -9.257 14.682 -7.849 3 1HB MET 1 1HB MET 1 -11.235 15.592 -6.324 4 2HB MET 1 2HB MET 1 -10.505 16.618 -7.557 5 1HG MET 1 1HG MET 1 -13.007 16.637 -7.623 6 2HG MET 1 2HG MET 1 -12.280 16.081 -9.130 7 1HE MET 1 1HE MET 1 -15.034 15.306 -6.596 8 2HE MET 1 2HE MET 1 -13.515 15.148 -5.717 9 3HE MET 1 3HE MET 1 -14.542 13.736 -5.949 10 H GLU 2 H GLU 2 -11.525 12.459 -8.814 11 HA GLU 2 HA GLU 2 -12.106 11.266 -6.243 12 1HB GLU 2 1HB GLU 2 -13.146 9.476 -7.601 13 2HB GLU 2 2HB GLU 2 -13.726 11.079 -8.059 14 1HG GLU 2 1HG GLU 2 -12.018 11.110 -9.893 15 2HG GLU 2 2HG GLU 2 -11.611 9.444 -9.485 16 H GLN 3 H GLN 3 -9.539 11.188 -8.457 17 HA GLN 3 HA GLN 3 -8.538 8.636 -8.461 18 1HB GLN 3 1HB GLN 3 -7.499 10.637 -9.554 19 2HB GLN 3 2HB GLN 3 -6.863 11.105 -7.977 20 1HG GLN 3 1HG GLN 3 -5.524 9.135 -7.822 21 2HG GLN 3 2HG GLN 3 -6.356 8.377 -9.179 22 1HE2 GLN 3 1HE2 GLN 3 -5.147 8.448 -11.066 23 2HE2 GLN 3 2HE2 GLN 3 -4.049 9.675 -11.478 24 H PHE 4 H PHE 4 -7.143 10.973 -6.179 25 HA PHE 4 HA PHE 4 -5.966 9.252 -4.423 26 1HB PHE 4 1HB PHE 4 -7.530 11.583 -3.342 27 2HB PHE 4 2HB PHE 4 -5.945 10.988 -2.852 28 HD1 PHE 4 HD1 PHE 4 -7.392 13.689 -4.339 29 HD2 PHE 4 HD2 PHE 4 -4.344 10.776 -5.164 30 HE1 PHE 4 HE1 PHE 4 -6.304 15.272 -5.907 31 HE2 PHE 4 HE2 PHE 4 -3.257 12.360 -6.733 32 HZ PHE 4 HZ PHE 4 -4.237 14.607 -7.104 33 H ASN 5 H ASN 5 -9.296 10.437 -4.214 34 HA ASN 5 HA ASN 5 -10.100 8.938 -1.993 35 1HB ASN 5 1HB ASN 5 -11.334 10.622 -3.955 36 2HB ASN 5 2HB ASN 5 -12.318 9.173 -3.773 37 1HD2 ASN 5 1HD2 ASN 5 -13.263 8.747 -1.644 38 2HD2 ASN 5 2HD2 ASN 5 -13.334 9.962 -0.459 39 H ALA 6 H ALA 6 -9.713 8.016 -5.349 40 HA ALA 6 HA ALA 6 -11.195 5.547 -5.067 41 1HB ALA 6 1HB ALA 6 -10.818 6.928 -7.219 42 2HB ALA 6 2HB ALA 6 -10.714 5.173 -7.331 43 3HB ALA 6 3HB ALA 6 -9.241 6.142 -7.275 44 H PHE 7 H PHE 7 -7.741 6.272 -5.680 45 HA PHE 7 HA PHE 7 -6.839 3.634 -5.282 46 1HB PHE 7 1HB PHE 7 -5.235 4.907 -6.331 47 2HB PHE 7 2HB PHE 7 -5.555 6.329 -5.344 48 HD1 PHE 7 HD1 PHE 7 -4.566 6.576 -3.117 49 HD2 PHE 7 HD2 PHE 7 -3.763 3.120 -5.540 50 HE1 PHE 7 HE1 PHE 7 -2.674 5.974 -1.630 51 HE2 PHE 7 HE2 PHE 7 -1.871 2.519 -4.052 52 HZ PHE 7 HZ PHE 7 -1.327 3.945 -2.098 53 H LYS 8 H LYS 8 -6.965 6.395 -3.024 54 HA LYS 8 HA LYS 8 -5.866 5.036 -0.817 55 1HB LYS 8 1HB LYS 8 -6.281 7.556 -1.129 56 2HB LYS 8 2HB LYS 8 -7.921 7.223 -0.573 57 1HG LYS 8 1HG LYS 8 -7.177 6.476 1.548 58 2HG LYS 8 2HG LYS 8 -5.515 6.274 0.992 59 1HD LYS 8 1HD LYS 8 -5.832 8.320 2.399 60 2HD LYS 8 2HD LYS 8 -5.244 8.683 0.776 61 1HE LYS 8 1HE LYS 8 -7.381 9.426 0.051 62 2HE LYS 8 2HE LYS 8 -8.189 8.710 1.445 63 1HZ LYS 8 1HZ LYS 8 -6.281 10.426 2.460 64 2HZ LYS 8 2HZ LYS 8 -7.965 10.654 2.453 65 3HZ LYS 8 3HZ LYS 8 -7.015 11.274 1.188 66 H SER 9 H SER 9 -9.296 5.573 -1.719 67 HA SER 9 HA SER 9 -10.400 4.332 0.492 68 1HB SER 9 1HB SER 9 -11.417 4.465 -2.355 69 2HB SER 9 2HB SER 9 -12.369 3.793 -1.034 70 HG SER 9 HG SER 9 -11.404 6.428 -1.385 71 H LEU 10 H LEU 10 -8.883 2.947 -2.328 72 HA LEU 10 HA LEU 10 -9.841 0.291 -2.002 73 1HB LEU 10 1HB LEU 10 -8.886 0.619 -4.096 74 2HB LEU 10 2HB LEU 10 -7.513 1.509 -3.456 75 HG LEU 10 HG LEU 10 -7.872 -1.370 -2.664 76 1HD1 LEU 10 1HD1 LEU 10 -6.885 -2.225 -4.620 77 2HD1 LEU 10 2HD1 LEU 10 -6.349 -0.640 -5.161 78 3HD1 LEU 10 3HD1 LEU 10 -8.054 -1.066 -5.238 79 1HD2 LEU 10 1HD2 LEU 10 -5.789 -1.088 -1.827 80 2HD2 LEU 10 2HD2 LEU 10 -5.955 0.630 -2.168 81 3HD2 LEU 10 3HD2 LEU 10 -5.192 -0.430 -3.349 82 H LEU 11 H LEU 11 -7.187 2.115 -0.548 83 HA LEU 11 HA LEU 11 -5.861 -0.095 0.634 84 1HB LEU 11 1HB LEU 11 -5.881 2.850 1.049 85 2HB LEU 11 2HB LEU 11 -5.397 1.891 2.444 86 HG LEU 11 HG LEU 11 -4.198 1.293 -0.250 87 1HD1 LEU 11 1HD1 LEU 11 -3.852 3.674 -0.058 88 2HD1 LEU 11 2HD1 LEU 11 -2.339 2.886 0.392 89 3HD1 LEU 11 3HD1 LEU 11 -3.407 3.525 1.642 90 1HD2 LEU 11 1HD2 LEU 11 -2.364 0.467 1.097 91 2HD2 LEU 11 2HD2 LEU 11 -3.854 -0.166 1.796 92 3HD2 LEU 11 3HD2 LEU 11 -3.036 1.201 2.553 93 H LYS 12 H LYS 12 -8.464 2.039 1.804 94 HA LYS 12 HA LYS 12 -8.912 1.105 4.358 95 1HB LYS 12 1HB LYS 12 -10.350 2.772 3.163 96 2HB LYS 12 2HB LYS 12 -11.088 1.438 2.278 97 1HG LYS 12 1HG LYS 12 -12.069 0.526 4.218 98 2HG LYS 12 2HG LYS 12 -10.995 1.421 5.292 99 1HD LYS 12 1HD LYS 12 -13.293 2.377 5.245 100 2HD LYS 12 2HD LYS 12 -12.079 3.525 4.678 101 1HE LYS 12 1HE LYS 12 -12.667 3.162 2.391 102 2HE LYS 12 2HE LYS 12 -13.638 1.746 2.793 103 1HZ LYS 12 1HZ LYS 12 -14.686 4.140 2.435 104 2HZ LYS 12 2HZ LYS 12 -14.358 4.248 4.099 105 3HZ LYS 12 3HZ LYS 12 -15.353 3.005 3.506 106 H LYS 13 H LYS 13 -10.267 -0.428 1.425 107 HA LYS 13 HA LYS 13 -11.394 -2.701 2.517 108 1HB LYS 13 1HB LYS 13 -9.922 -2.218 -0.058 109 2HB LYS 13 2HB LYS 13 -10.532 -3.819 0.338 110 1HG LYS 13 1HG LYS 13 -12.504 -1.669 0.782 111 2HG LYS 13 2HG LYS 13 -11.995 -1.819 -0.897 112 1HD LYS 13 1HD LYS 13 -13.911 -3.263 -0.553 113 2HD LYS 13 2HD LYS 13 -12.486 -4.279 -0.768 114 1HE LYS 13 1HE LYS 13 -13.941 -5.011 1.135 115 2HE LYS 13 2HE LYS 13 -12.300 -4.610 1.634 116 1HZ LYS 13 1HZ LYS 13 -14.663 -3.523 2.584 117 2HZ LYS 13 2HZ LYS 13 -13.915 -2.295 1.679 118 3HZ LYS 13 3HZ LYS 13 -13.083 -3.037 2.960 119 H HIS 14 H HIS 14 -8.010 -2.102 1.716 120 HA HIS 14 HA HIS 14 -7.008 -4.673 2.434 121 1HB HIS 14 1HB HIS 14 -5.891 -2.883 0.989 122 2HB HIS 14 2HB HIS 14 -5.439 -2.104 2.503 123 HD1 HIS 14 HD1 HIS 14 -5.466 -5.532 3.318 124 HD2 HIS 14 HD2 HIS 14 -2.810 -3.142 1.170 125 HE1 HIS 14 HE1 HIS 14 -3.257 -6.770 3.285 126 HE2 HIS 14 HE2 HIS 14 -1.627 -5.325 1.979 127 H TYR 15 H TYR 15 -6.698 -1.529 4.116 128 HA TYR 15 HA TYR 15 -6.038 -2.932 6.596 129 1HB TYR 15 1HB TYR 15 -5.715 -0.143 5.555 130 2HB TYR 15 2HB TYR 15 -5.758 -0.392 7.298 131 HD1 TYR 15 HD1 TYR 15 -3.571 -0.272 8.116 132 HD2 TYR 15 HD2 TYR 15 -4.341 -2.468 4.507 133 HE1 TYR 15 HE1 TYR 15 -1.213 -1.037 8.078 134 HE2 TYR 15 HE2 TYR 15 -1.985 -3.232 4.469 135 HH TYR 15 HH TYR 15 0.317 -2.142 5.539 136 H GLU 16 H GLU 16 -8.763 -3.050 5.585 137 HA GLU 16 HA GLU 16 -10.452 -1.202 6.897 138 1HB GLU 16 1HB GLU 16 -11.047 -2.873 5.041 139 2HB GLU 16 2HB GLU 16 -11.183 -4.070 6.327 140 1HG GLU 16 1HG GLU 16 -12.775 -2.489 7.499 141 2HG GLU 16 2HG GLU 16 -12.762 -1.504 6.037 142 H LYS 17 H LYS 17 -9.653 -4.571 7.794 143 HA LYS 17 HA LYS 17 -10.726 -4.178 10.461 144 1HB LYS 17 1HB LYS 17 -10.190 -6.401 8.762 145 2HB LYS 17 2HB LYS 17 -9.238 -6.623 10.227 146 1HG LYS 17 1HG LYS 17 -11.313 -6.159 11.568 147 2HG LYS 17 2HG LYS 17 -12.226 -6.142 10.059 148 1HD LYS 17 1HD LYS 17 -11.610 -8.442 9.592 149 2HD LYS 17 2HD LYS 17 -10.526 -8.476 10.982 150 1HE LYS 17 1HE LYS 17 -12.598 -7.910 12.400 151 2HE LYS 17 2HE LYS 17 -13.544 -8.335 10.974 152 1HZ LYS 17 1HZ LYS 17 -12.591 -10.069 12.855 153 2HZ LYS 17 2HZ LYS 17 -11.527 -10.273 11.547 154 3HZ LYS 17 3HZ LYS 17 -13.199 -10.486 11.326 155 H THR 18 H THR 18 -8.058 -2.997 9.194 156 HA THR 18 HA THR 18 -6.200 -3.805 11.326 157 HB THR 18 HB THR 18 -5.608 -1.897 9.069 158 HG1 THR 18 HG1 THR 18 -6.480 -3.949 8.343 159 1HG2 THR 18 1HG2 THR 18 -3.447 -2.092 9.749 160 2HG2 THR 18 2HG2 THR 18 -3.601 -3.826 10.027 161 3HG2 THR 18 3HG2 THR 18 -4.132 -2.685 11.262 162 H ILE 19 H ILE 19 -8.228 -2.478 12.456 163 HA ILE 19 HA ILE 19 -8.115 0.324 12.503 164 HB ILE 19 HB ILE 19 -8.878 -0.439 15.075 165 1HG1 ILE 19 1HG1 ILE 19 -9.900 -2.513 13.122 166 2HG1 ILE 19 2HG1 ILE 19 -8.583 -2.827 14.252 167 1HG2 ILE 19 1HG2 ILE 19 -10.445 -0.134 12.509 168 2HG2 ILE 19 2HG2 ILE 19 -10.134 1.101 13.729 169 3HG2 ILE 19 3HG2 ILE 19 -11.199 -0.255 14.099 170 1HD1 ILE 19 1HD1 ILE 19 -10.871 -3.522 15.084 171 2HD1 ILE 19 2HD1 ILE 19 -11.304 -1.813 15.112 172 3HD1 ILE 19 3HD1 ILE 19 -10.009 -2.411 16.148 173 H GLY 20 H GLY 20 -7.237 -1.496 15.387 174 1HA GLY 20 1HA GLY 20 -5.781 0.005 16.880 175 2HA GLY 20 2HA GLY 20 -5.105 -1.559 16.455 176 H PHE 21 H PHE 21 -4.390 -1.125 13.798 177 HA PHE 21 HA PHE 21 -1.918 0.273 14.100 178 1HB PHE 21 1HB PHE 21 -2.349 -1.684 12.556 179 2HB PHE 21 2HB PHE 21 -3.230 -0.572 11.510 180 HD1 PHE 21 HD1 PHE 21 -2.028 0.366 9.751 181 HD2 PHE 21 HD2 PHE 21 0.036 -0.667 13.376 182 HE1 PHE 21 HE1 PHE 21 0.114 1.103 8.741 183 HE2 PHE 21 HE2 PHE 21 2.175 0.077 12.367 184 HZ PHE 21 HZ PHE 21 2.213 0.959 10.052 185 H HIS 22 H HIS 22 -4.973 1.007 12.476 186 HA HIS 22 HA HIS 22 -4.125 3.504 11.368 187 1HB HIS 22 1HB HIS 22 -6.077 2.094 10.569 188 2HB HIS 22 2HB HIS 22 -6.954 2.646 11.994 189 HD1 HIS 22 HD1 HIS 22 -7.049 5.392 12.229 190 HD2 HIS 22 HD2 HIS 22 -6.279 3.844 8.435 191 HE1 HIS 22 HE1 HIS 22 -7.541 7.253 10.581 192 HE2 HIS 22 HE2 HIS 22 -7.076 6.324 8.264 193 H ASP 23 H ASP 23 -4.991 2.531 14.524 194 HA ASP 23 HA ASP 23 -5.714 5.269 15.321 195 1HB ASP 23 1HB ASP 23 -6.906 3.109 16.168 196 2HB ASP 23 2HB ASP 23 -5.488 2.924 17.198 197 H LYS 24 H LYS 24 -3.020 3.297 15.010 198 HA LYS 24 HA LYS 24 -1.517 4.423 17.229 199 1HB LYS 24 1HB LYS 24 -1.384 2.030 15.999 200 2HB LYS 24 2HB LYS 24 -0.136 2.885 15.098 201 1HG LYS 24 1HG LYS 24 1.082 2.027 16.904 202 2HG LYS 24 2HG LYS 24 0.686 3.647 17.474 203 1HD LYS 24 1HD LYS 24 -1.161 2.805 18.791 204 2HD LYS 24 2HD LYS 24 -0.988 1.195 18.091 205 1HE LYS 24 1HE LYS 24 0.060 1.691 20.447 206 2HE LYS 24 2HE LYS 24 0.977 0.745 19.274 207 1HZ LYS 24 1HZ LYS 24 1.239 3.668 19.732 208 2HZ LYS 24 2HZ LYS 24 2.115 2.764 18.590 209 3HZ LYS 24 3HZ LYS 24 2.335 2.481 20.252 210 H TYR 25 H TYR 25 -0.666 4.224 13.757 211 HA TYR 25 HA TYR 25 0.482 6.951 14.014 212 1HB TYR 25 1HB TYR 25 1.465 4.860 12.087 213 2HB TYR 25 2HB TYR 25 2.276 6.332 12.625 214 HD1 TYR 25 HD1 TYR 25 1.761 2.826 13.250 215 HD2 TYR 25 HD2 TYR 25 2.913 6.526 15.104 216 HE1 TYR 25 HE1 TYR 25 2.816 1.567 15.106 217 HE2 TYR 25 HE2 TYR 25 3.970 5.267 16.961 218 HH TYR 25 HH TYR 25 3.923 3.135 17.996 219 H ILE 26 H ILE 26 -0.434 4.713 11.390 220 HA ILE 26 HA ILE 26 -0.807 6.427 9.335 221 HB ILE 26 HB ILE 26 -2.317 3.964 10.144 222 1HG1 ILE 26 1HG1 ILE 26 -1.182 3.039 8.196 223 2HG1 ILE 26 2HG1 ILE 26 -0.593 4.638 7.742 224 1HG2 ILE 26 1HG2 ILE 26 -3.350 4.081 7.806 225 2HG2 ILE 26 2HG2 ILE 26 -2.918 5.790 7.808 226 3HG2 ILE 26 3HG2 ILE 26 -4.047 5.164 9.010 227 1HD1 ILE 26 1HD1 ILE 26 1.090 3.183 8.966 228 2HD1 ILE 26 2HD1 ILE 26 0.065 3.332 10.393 229 3HD1 ILE 26 3HD1 ILE 26 0.809 4.766 9.688 230 H LYS 27 H LYS 27 -2.560 6.507 12.258 231 HA LYS 27 HA LYS 27 -4.979 7.309 12.268 232 1HB LYS 27 1HB LYS 27 -3.408 8.111 13.980 233 2HB LYS 27 2HB LYS 27 -2.860 9.376 12.879 234 1HG LYS 27 1HG LYS 27 -4.999 10.441 12.884 235 2HG LYS 27 2HG LYS 27 -5.763 9.058 13.668 236 1HD LYS 27 1HD LYS 27 -4.628 9.484 15.732 237 2HD LYS 27 2HD LYS 27 -3.550 10.657 14.974 238 1HE LYS 27 1HE LYS 27 -5.322 11.807 16.240 239 2HE LYS 27 2HE LYS 27 -5.485 12.129 14.513 240 1HZ LYS 27 1HZ LYS 27 -7.199 10.504 14.347 241 2HZ LYS 27 2HZ LYS 27 -7.595 11.535 15.639 242 3HZ LYS 27 3HZ LYS 27 -6.960 9.988 15.944 243 H ASP 28 H ASP 28 -2.738 9.653 10.763 244 HA ASP 28 HA ASP 28 -4.405 10.040 8.476 245 1HB ASP 28 1HB ASP 28 -5.735 11.214 10.257 246 2HB ASP 28 2HB ASP 28 -4.373 12.314 10.469 247 H ILE 29 H ILE 29 -2.537 9.875 7.283 248 HA ILE 29 HA ILE 29 -0.202 11.465 7.878 249 HB ILE 29 HB ILE 29 -0.565 10.225 5.187 250 1HG1 ILE 29 1HG1 ILE 29 -0.357 8.660 7.778 251 2HG1 ILE 29 2HG1 ILE 29 -1.648 8.556 6.581 252 1HG2 ILE 29 1HG2 ILE 29 1.747 9.706 5.448 253 2HG2 ILE 29 2HG2 ILE 29 1.676 9.930 7.195 254 3HG2 ILE 29 3HG2 ILE 29 1.556 11.323 6.123 255 1HD1 ILE 29 1HD1 ILE 29 1.227 7.671 6.294 256 2HD1 ILE 29 2HD1 ILE 29 0.166 7.884 4.902 257 3HD1 ILE 29 3HD1 ILE 29 -0.232 6.692 6.139 258 H ASN 30 H ASN 30 0.747 12.811 5.986 259 HA ASN 30 HA ASN 30 -1.323 14.259 4.495 260 1HB ASN 30 1HB ASN 30 0.623 15.630 6.364 261 2HB ASN 30 2HB ASN 30 -0.517 16.435 5.286 262 1HD2 ASN 30 1HD2 ASN 30 -2.922 15.541 5.639 263 2HD2 ASN 30 2HD2 ASN 30 -3.390 15.383 7.264 264 H ARG 31 H ARG 31 1.473 12.645 4.358 265 HA ARG 31 HA ARG 31 2.461 14.287 2.103 266 1HB ARG 31 1HB ARG 31 4.180 12.850 4.129 267 2HB ARG 31 2HB ARG 31 4.767 13.692 2.698 268 1HG ARG 31 1HG ARG 31 3.180 15.005 4.912 269 2HG ARG 31 2HG ARG 31 4.938 15.033 4.804 270 1HD ARG 31 1HD ARG 31 4.558 15.969 2.409 271 2HD ARG 31 2HD ARG 31 2.923 16.315 2.964 272 HE ARG 31 HE ARG 31 4.384 17.445 4.911 273 1HH1 ARG 31 1HH1 ARG 31 4.671 17.494 1.462 274 2HH1 ARG 31 2HH1 ARG 31 5.354 19.084 1.403 275 1HH2 ARG 31 1HH2 ARG 31 5.276 19.533 4.840 276 2HH2 ARG 31 2HH2 ARG 31 5.696 20.239 3.316 277 H PHE 32 H PHE 32 1.665 13.074 0.500 278 HA PHE 32 HA PHE 32 2.953 10.507 -0.011 279 1HB PHE 32 1HB PHE 32 0.559 9.659 -0.718 280 2HB PHE 32 2HB PHE 32 1.071 9.524 0.962 281 HD1 PHE 32 HD1 PHE 32 0.060 10.843 2.700 282 HD2 PHE 32 HD2 PHE 32 -0.968 11.500 -1.419 283 HE1 PHE 32 HE1 PHE 32 -1.850 12.260 3.402 284 HE2 PHE 32 HE2 PHE 32 -2.877 12.919 -0.716 285 HZ PHE 32 HZ PHE 32 -3.319 13.298 1.695 286 H VAL 33 H VAL 33 3.514 10.465 -2.154 287 HA VAL 33 HA VAL 33 1.882 12.042 -4.034 288 HB VAL 33 HB VAL 33 3.965 13.019 -5.007 289 1HG1 VAL 33 1HG1 VAL 33 2.483 14.240 -3.399 290 2HG1 VAL 33 2HG1 VAL 33 4.169 14.751 -3.307 291 3HG1 VAL 33 3HG1 VAL 33 3.507 13.671 -2.080 292 1HG2 VAL 33 1HG2 VAL 33 5.169 11.858 -2.473 293 2HG2 VAL 33 2HG2 VAL 33 5.978 13.014 -3.531 294 3HG2 VAL 33 3HG2 VAL 33 5.579 11.403 -4.127 295 H PHE 34 H PHE 34 2.171 11.567 -6.222 296 HA PHE 34 HA PHE 34 3.472 8.975 -6.827 297 1HB PHE 34 1HB PHE 34 1.267 9.791 -8.606 298 2HB PHE 34 2HB PHE 34 1.593 8.225 -7.869 299 HD1 PHE 34 HD1 PHE 34 0.028 7.457 -6.335 300 HD2 PHE 34 HD2 PHE 34 0.589 11.688 -6.785 301 HE1 PHE 34 HE1 PHE 34 -1.760 7.869 -4.668 302 HE2 PHE 34 HE2 PHE 34 -1.198 12.103 -5.119 303 HZ PHE 34 HZ PHE 34 -2.373 10.194 -4.060 304 H LYS 35 H LYS 35 5.103 9.195 -8.276 305 HA LYS 35 HA LYS 35 5.027 11.539 -10.089 306 1HB LYS 35 1HB LYS 35 6.819 11.395 -8.216 307 2HB LYS 35 2HB LYS 35 7.563 10.165 -9.238 308 1HG LYS 35 1HG LYS 35 8.609 12.060 -10.072 309 2HG LYS 35 2HG LYS 35 7.199 12.003 -11.131 310 1HD LYS 35 1HD LYS 35 6.033 13.492 -9.392 311 2HD LYS 35 2HD LYS 35 7.634 13.744 -8.697 312 1HE LYS 35 1HE LYS 35 6.634 14.525 -11.433 313 2HE LYS 35 2HE LYS 35 7.393 15.542 -10.208 314 1HZ LYS 35 1HZ LYS 35 8.932 15.014 -11.991 315 2HZ LYS 35 2HZ LYS 35 8.725 13.351 -11.708 316 3HZ LYS 35 3HZ LYS 35 9.456 14.333 -10.529 317 H ASN 36 H ASN 36 6.936 8.524 -9.935 318 HA ASN 36 HA ASN 36 6.188 8.034 -12.763 319 1HB ASN 36 1HB ASN 36 8.605 8.703 -12.271 320 2HB ASN 36 2HB ASN 36 8.760 7.141 -11.469 321 1HD2 ASN 36 1HD2 ASN 36 7.179 8.211 -14.541 322 2HD2 ASN 36 2HD2 ASN 36 7.926 7.025 -15.498 323 H ASN 37 H ASN 37 4.393 6.762 -11.990 324 HA ASN 37 HA ASN 37 3.354 4.816 -11.329 325 1HB ASN 37 1HB ASN 37 5.938 3.582 -12.303 326 2HB ASN 37 2HB ASN 37 4.368 2.788 -12.180 327 1HD2 ASN 37 1HD2 ASN 37 2.918 5.237 -13.151 328 2HD2 ASN 37 2HD2 ASN 37 3.225 5.306 -14.819 329 H VAL 38 H VAL 38 5.523 6.151 -9.516 330 HA VAL 38 HA VAL 38 5.736 3.890 -7.607 331 HB VAL 38 HB VAL 38 7.625 6.210 -8.063 332 1HG1 VAL 38 1HG1 VAL 38 7.533 5.932 -5.699 333 2HG1 VAL 38 2HG1 VAL 38 8.939 5.001 -6.216 334 3HG1 VAL 38 3HG1 VAL 38 7.429 4.175 -5.834 335 1HG2 VAL 38 1HG2 VAL 38 7.610 3.966 -9.464 336 2HG2 VAL 38 2HG2 VAL 38 8.354 3.292 -8.016 337 3HG2 VAL 38 3HG2 VAL 38 9.135 4.621 -8.871 338 H LEU 39 H LEU 39 5.172 4.253 -5.500 339 HA LEU 39 HA LEU 39 3.964 6.889 -4.874 340 1HB LEU 39 1HB LEU 39 2.953 4.105 -4.512 341 2HB LEU 39 2HB LEU 39 2.610 5.256 -3.221 342 HG LEU 39 HG LEU 39 1.647 6.816 -4.896 343 1HD1 LEU 39 1HD1 LEU 39 2.510 4.608 -6.744 344 2HD1 LEU 39 2HD1 LEU 39 2.637 6.353 -6.955 345 3HD1 LEU 39 3HD1 LEU 39 1.079 5.555 -7.151 346 1HD2 LEU 39 1HD2 LEU 39 0.330 4.972 -3.668 347 2HD2 LEU 39 2HD2 LEU 39 0.360 4.096 -5.198 348 3HD2 LEU 39 3HD2 LEU 39 -0.430 5.669 -5.097 349 H LEU 40 H LEU 40 5.013 7.921 -3.274 350 HA LEU 40 HA LEU 40 6.393 6.264 -1.244 351 1HB LEU 40 1HB LEU 40 7.430 8.293 -2.964 352 2HB LEU 40 2HB LEU 40 7.439 8.949 -1.329 353 HG LEU 40 HG LEU 40 8.485 6.165 -1.838 354 1HD1 LEU 40 1HD1 LEU 40 10.778 7.357 -1.949 355 2HD1 LEU 40 2HD1 LEU 40 9.859 8.794 -2.392 356 3HD1 LEU 40 3HD1 LEU 40 9.789 7.356 -3.409 357 1HD2 LEU 40 1HD2 LEU 40 9.872 6.749 0.136 358 2HD2 LEU 40 2HD2 LEU 40 8.152 6.926 0.485 359 3HD2 LEU 40 3HD2 LEU 40 9.139 8.352 0.167 360 H ILE 41 H ILE 41 6.171 6.810 0.895 361 HA ILE 41 HA ILE 41 4.421 9.092 1.574 362 HB ILE 41 HB ILE 41 4.005 6.286 2.624 363 1HG1 ILE 41 1HG1 ILE 41 2.563 7.847 0.462 364 2HG1 ILE 41 2HG1 ILE 41 3.399 6.305 0.285 365 1HG2 ILE 41 1HG2 ILE 41 2.035 7.181 3.658 366 2HG2 ILE 41 2HG2 ILE 41 2.202 8.710 2.795 367 3HG2 ILE 41 3HG2 ILE 41 3.352 8.282 4.060 368 1HD1 ILE 41 1HD1 ILE 41 1.105 5.722 0.441 369 2HD1 ILE 41 2HD1 ILE 41 0.819 6.871 1.748 370 3HD1 ILE 41 3HD1 ILE 41 1.755 5.406 2.051 371 H LEU 42 H LEU 42 5.018 10.119 3.412 372 HA LEU 42 HA LEU 42 7.496 9.612 4.643 373 1HB LEU 42 1HB LEU 42 5.125 11.307 5.380 374 2HB LEU 42 2HB LEU 42 6.495 11.167 6.475 375 HG LEU 42 HG LEU 42 6.621 13.135 4.905 376 1HD1 LEU 42 1HD1 LEU 42 8.918 12.995 4.766 377 2HD1 LEU 42 2HD1 LEU 42 8.898 11.336 4.176 378 3HD1 LEU 42 3HD1 LEU 42 8.626 11.667 5.886 379 1HD2 LEU 42 1HD2 LEU 42 7.305 11.150 2.748 380 2HD2 LEU 42 2HD2 LEU 42 6.879 12.852 2.591 381 3HD2 LEU 42 3HD2 LEU 42 5.638 11.665 2.984 382 H LEU 43 H LEU 43 8.101 8.506 6.422 383 HA LEU 43 HA LEU 43 6.245 7.584 8.407 384 1HB LEU 43 1HB LEU 43 5.929 5.947 6.494 385 2HB LEU 43 2HB LEU 43 7.597 5.444 6.765 386 HG LEU 43 HG LEU 43 6.830 5.192 9.268 387 1HD1 LEU 43 1HD1 LEU 43 4.212 5.074 7.738 388 2HD1 LEU 43 2HD1 LEU 43 4.618 6.164 9.063 389 3HD1 LEU 43 3HD1 LEU 43 4.427 4.440 9.370 390 1HD2 LEU 43 1HD2 LEU 43 7.517 3.351 7.712 391 2HD2 LEU 43 2HD2 LEU 43 5.840 3.224 7.186 392 3HD2 LEU 43 3HD2 LEU 43 6.269 2.867 8.859 393 H GLU 44 H GLU 44 7.576 8.452 9.948 394 HA GLU 44 HA GLU 44 10.412 7.739 9.987 395 1HB GLU 44 1HB GLU 44 10.360 9.214 12.083 396 2HB GLU 44 2HB GLU 44 10.031 10.007 10.542 397 1HG GLU 44 1HG GLU 44 7.684 10.047 10.948 398 2HG GLU 44 2HG GLU 44 7.823 8.921 12.295 399 H ASN 45 H ASN 45 7.435 7.054 11.737 400 HA ASN 45 HA ASN 45 8.279 5.944 14.078 401 1HB ASN 45 1HB ASN 45 5.952 5.747 12.439 402 2HB ASN 45 2HB ASN 45 6.372 4.118 12.961 403 1HD2 ASN 45 1HD2 ASN 45 5.216 7.253 14.053 404 2HD2 ASN 45 2HD2 ASN 45 4.940 6.795 15.664 405 H GLU 46 H GLU 46 9.671 4.412 14.637 406 HA GLU 46 HA GLU 46 11.072 2.845 12.734 407 1HB GLU 46 1HB GLU 46 12.136 3.447 14.817 408 2HB GLU 46 2HB GLU 46 10.881 2.623 15.745 409 1HG GLU 46 1HG GLU 46 11.584 0.478 14.987 410 2HG GLU 46 2HG GLU 46 12.583 1.173 13.711 411 H PHE 47 H PHE 47 8.470 2.068 15.030 412 HA PHE 47 HA PHE 47 8.380 -0.708 14.447 413 1HB PHE 47 1HB PHE 47 6.120 1.045 15.436 414 2HB PHE 47 2HB PHE 47 6.258 -0.704 15.610 415 HD1 PHE 47 HD1 PHE 47 8.605 -1.485 16.684 416 HD2 PHE 47 HD2 PHE 47 6.745 2.345 17.268 417 HE1 PHE 47 HE1 PHE 47 9.885 -1.183 18.786 418 HE2 PHE 47 HE2 PHE 47 8.027 2.646 19.370 419 HZ PHE 47 HZ PHE 47 9.597 0.882 20.129 420 H ALA 48 H ALA 48 5.931 1.746 13.608 421 HA ALA 48 HA ALA 48 4.415 0.406 11.806 422 1HB ALA 48 1HB ALA 48 3.760 2.468 10.899 423 2HB ALA 48 2HB ALA 48 5.364 3.171 11.096 424 3HB ALA 48 3HB ALA 48 4.338 2.908 12.505 425 H ARG 49 H ARG 49 7.601 1.789 11.161 426 HA ARG 49 HA ARG 49 7.563 1.054 8.374 427 1HB ARG 49 1HB ARG 49 8.916 2.944 9.518 428 2HB ARG 49 2HB ARG 49 10.044 1.668 9.968 429 1HG ARG 49 1HG ARG 49 10.640 1.223 7.753 430 2HG ARG 49 2HG ARG 49 9.144 1.887 7.105 431 1HD ARG 49 1HD ARG 49 9.975 4.006 7.031 432 2HD ARG 49 2HD ARG 49 10.783 3.847 8.587 433 HE ARG 49 HE ARG 49 12.708 3.501 7.369 434 1HH1 ARG 49 1HH1 ARG 49 9.976 2.272 5.635 435 2HH1 ARG 49 2HH1 ARG 49 10.912 1.694 4.298 436 1HH2 ARG 49 1HH2 ARG 49 13.940 2.746 5.616 437 2HH2 ARG 49 2HH2 ARG 49 13.154 1.962 4.287 438 H ASN 50 H ASN 50 8.837 -0.296 11.360 439 HA ASN 50 HA ASN 50 10.537 -2.247 10.469 440 1HB ASN 50 1HB ASN 50 10.021 -1.723 12.845 441 2HB ASN 50 2HB ASN 50 8.509 -2.615 12.676 442 1HD2 ASN 50 1HD2 ASN 50 10.946 -3.260 14.362 443 2HD2 ASN 50 2HD2 ASN 50 11.403 -4.822 13.881 444 H SER 51 H SER 51 7.016 -2.490 10.866 445 HA SER 51 HA SER 51 6.897 -5.144 9.660 446 1HB SER 51 1HB SER 51 5.243 -3.506 11.390 447 2HB SER 51 2HB SER 51 4.309 -4.257 10.101 448 HG SER 51 HG SER 51 6.136 -5.571 11.838 449 H LEU 52 H LEU 52 5.731 -1.849 8.889 450 HA LEU 52 HA LEU 52 4.146 -2.473 6.706 451 1HB LEU 52 1HB LEU 52 5.816 -0.067 7.369 452 2HB LEU 52 2HB LEU 52 4.991 -0.161 5.817 453 HG LEU 52 HG LEU 52 3.593 -0.566 8.478 454 1HD1 LEU 52 1HD1 LEU 52 3.975 1.907 6.782 455 2HD1 LEU 52 2HD1 LEU 52 4.297 1.707 8.505 456 3HD1 LEU 52 3HD1 LEU 52 2.635 1.750 7.917 457 1HD2 LEU 52 1HD2 LEU 52 2.112 -1.476 6.970 458 2HD2 LEU 52 2HD2 LEU 52 2.782 -0.586 5.605 459 3HD2 LEU 52 3HD2 LEU 52 1.683 0.215 6.726 460 H ASN 53 H ASN 53 7.593 -1.488 6.486 461 HA ASN 53 HA ASN 53 7.758 -2.249 3.759 462 1HB ASN 53 1HB ASN 53 10.097 -1.798 3.925 463 2HB ASN 53 2HB ASN 53 9.299 -0.636 4.982 464 1HD2 ASN 53 1HD2 ASN 53 12.003 -1.263 5.461 465 2HD2 ASN 53 2HD2 ASN 53 12.122 -2.175 6.888 466 H ASP 54 H ASP 54 7.675 -4.120 6.593 467 HA ASP 54 HA ASP 54 9.333 -6.285 5.718 468 1HB ASP 54 1HB ASP 54 8.522 -5.816 8.109 469 2HB ASP 54 2HB ASP 54 7.000 -6.549 7.611 470 H ASN 55 H ASN 55 6.067 -5.253 5.204 471 HA ASN 55 HA ASN 55 5.676 -7.063 3.019 472 1HB ASN 55 1HB ASN 55 5.244 -8.536 5.021 473 2HB ASN 55 2HB ASN 55 3.890 -7.480 5.423 474 1HD2 ASN 55 1HD2 ASN 55 2.473 -9.417 5.036 475 2HD2 ASN 55 2HD2 ASN 55 2.068 -9.838 3.443 476 H SER 56 H SER 56 5.094 -5.307 1.791 477 HA SER 56 HA SER 56 2.536 -4.009 2.513 478 1HB SER 56 1HB SER 56 3.326 -1.865 1.947 479 2HB SER 56 2HB SER 56 4.631 -2.558 2.901 480 HG SER 56 HG SER 56 4.546 -2.855 0.099 481 H GLU 57 H GLU 57 2.002 -5.916 1.023 482 HA GLU 57 HA GLU 57 2.611 -5.713 -1.761 483 1HB GLU 57 1HB GLU 57 0.189 -7.113 -0.645 484 2HB GLU 57 2HB GLU 57 1.180 -7.558 -2.036 485 1HG GLU 57 1HG GLU 57 3.108 -7.841 -0.343 486 2HG GLU 57 2HG GLU 57 1.856 -7.804 0.896 487 H ILE 58 H ILE 58 1.726 -3.192 -0.849 488 HA ILE 58 HA ILE 58 -1.019 -2.763 -1.338 489 HB ILE 58 HB ILE 58 1.274 -0.802 -1.574 490 1HG1 ILE 58 1HG1 ILE 58 -0.631 -1.377 0.721 491 2HG1 ILE 58 2HG1 ILE 58 1.033 -1.955 0.640 492 1HG2 ILE 58 1HG2 ILE 58 -0.579 0.207 -2.651 493 2HG2 ILE 58 2HG2 ILE 58 -0.683 0.804 -0.998 494 3HG2 ILE 58 3HG2 ILE 58 -1.734 -0.508 -1.527 495 1HD1 ILE 58 1HD1 ILE 58 0.826 0.127 1.986 496 2HD1 ILE 58 2HD1 ILE 58 0.210 0.963 0.562 497 3HD1 ILE 58 3HD1 ILE 58 1.862 0.346 0.577 498 H ILE 59 H ILE 59 1.327 -3.729 -3.479 499 HA ILE 59 HA ILE 59 0.222 -2.299 -5.789 500 HB ILE 59 HB ILE 59 2.595 -2.534 -5.858 501 1HG1 ILE 59 1HG1 ILE 59 1.636 -4.818 -7.592 502 2HG1 ILE 59 2HG1 ILE 59 1.205 -3.145 -7.952 503 1HG2 ILE 59 1HG2 ILE 59 2.995 -4.250 -4.251 504 2HG2 ILE 59 2HG2 ILE 59 3.598 -4.886 -5.781 505 3HG2 ILE 59 3HG2 ILE 59 2.038 -5.422 -5.157 506 1HD1 ILE 59 1HD1 ILE 59 4.041 -4.170 -7.626 507 2HD1 ILE 59 2HD1 ILE 59 3.571 -2.530 -8.072 508 3HD1 ILE 59 3HD1 ILE 59 3.249 -3.870 -9.172 509 H HIS 60 H HIS 60 -0.441 -5.032 -4.005 510 HA HIS 60 HA HIS 60 -1.478 -6.730 -6.187 511 1HB HIS 60 1HB HIS 60 -1.456 -8.387 -4.673 512 2HB HIS 60 2HB HIS 60 -0.363 -7.324 -3.799 513 HD1 HIS 60 HD1 HIS 60 -1.167 -6.343 -1.610 514 HD2 HIS 60 HD2 HIS 60 -4.160 -8.417 -3.635 515 HE1 HIS 60 HE1 HIS 60 -3.075 -6.608 0.022 516 HE2 HIS 60 HE2 HIS 60 -4.919 -7.865 -1.198 517 H LEU 61 H LEU 61 -2.531 -4.016 -4.680 518 HA LEU 61 HA LEU 61 -5.315 -4.673 -5.411 519 1HB LEU 61 1HB LEU 61 -5.092 -2.707 -3.238 520 2HB LEU 61 2HB LEU 61 -6.214 -4.049 -3.427 521 HG LEU 61 HG LEU 61 -4.110 -5.513 -2.876 522 1HD1 LEU 61 1HD1 LEU 61 -3.378 -2.966 -1.434 523 2HD1 LEU 61 2HD1 LEU 61 -2.641 -3.421 -2.969 524 3HD1 LEU 61 3HD1 LEU 61 -2.440 -4.454 -1.554 525 1HD2 LEU 61 1HD2 LEU 61 -4.597 -4.889 -0.333 526 2HD2 LEU 61 2HD2 LEU 61 -5.818 -5.691 -1.317 527 3HD2 LEU 61 3HD2 LEU 61 -5.901 -3.950 -1.057 528 H ALA 62 H ALA 62 -2.935 -2.164 -4.673 529 HA ALA 62 HA ALA 62 -4.267 0.016 -5.829 530 1HB ALA 62 1HB ALA 62 -2.247 0.177 -4.382 531 2HB ALA 62 2HB ALA 62 -2.096 1.100 -5.877 532 3HB ALA 62 3HB ALA 62 -1.282 -0.456 -5.716 533 H GLU 63 H GLU 63 -2.608 -2.652 -7.275 534 HA GLU 63 HA GLU 63 -1.883 -1.498 -9.729 535 1HB GLU 63 1HB GLU 63 -1.968 -3.891 -10.569 536 2HB GLU 63 2HB GLU 63 -0.961 -3.625 -9.144 537 1HG GLU 63 1HG GLU 63 -2.809 -4.368 -7.690 538 2HG GLU 63 2HG GLU 63 -3.827 -4.613 -9.104 539 H SER 64 H SER 64 -4.579 -0.701 -8.970 540 HA SER 64 HA SER 64 -6.041 -1.700 -11.344 541 1HB SER 64 1HB SER 64 -8.130 -1.460 -10.080 542 2HB SER 64 2HB SER 64 -7.044 -2.586 -9.272 543 HG SER 64 HG SER 64 -7.127 -1.304 -7.621 544 H LEU 65 H LEU 65 -6.319 0.912 -8.923 545 HA LEU 65 HA LEU 65 -7.611 2.804 -10.392 546 1HB LEU 65 1HB LEU 65 -6.132 2.769 -8.001 547 2HB LEU 65 2HB LEU 65 -5.418 4.063 -8.956 548 HG LEU 65 HG LEU 65 -7.242 4.963 -7.618 549 1HD1 LEU 65 1HD1 LEU 65 -6.904 5.414 -10.267 550 2HD1 LEU 65 2HD1 LEU 65 -8.109 6.254 -9.296 551 3HD1 LEU 65 3HD1 LEU 65 -8.580 4.866 -10.273 552 1HD2 LEU 65 1HD2 LEU 65 -9.551 3.789 -8.789 553 2HD2 LEU 65 2HD2 LEU 65 -8.998 3.639 -7.123 554 3HD2 LEU 65 3HD2 LEU 65 -8.496 2.454 -8.324 555 H TYR 66 H TYR 66 -4.291 1.778 -10.764 556 HA TYR 66 HA TYR 66 -3.975 3.717 -12.987 557 1HB TYR 66 1HB TYR 66 -1.828 2.507 -11.226 558 2HB TYR 66 2HB TYR 66 -1.553 3.609 -12.574 559 HD1 TYR 66 HD1 TYR 66 -1.895 5.967 -12.351 560 HD2 TYR 66 HD2 TYR 66 -3.091 3.298 -9.205 561 HE1 TYR 66 HE1 TYR 66 -2.251 7.903 -10.843 562 HE2 TYR 66 HE2 TYR 66 -3.448 5.237 -7.696 563 HH TYR 66 HH TYR 66 -3.985 7.757 -8.041 564 H GLU 67 H GLU 67 -2.482 2.940 -14.710 565 HA GLU 67 HA GLU 67 -3.362 0.599 -15.898 566 1HB GLU 67 1HB GLU 67 -0.674 1.951 -16.240 567 2HB GLU 67 2HB GLU 67 -1.375 0.774 -17.352 568 1HG GLU 67 1HG GLU 67 -3.283 2.256 -17.760 569 2HG GLU 67 2HG GLU 67 -2.644 3.424 -16.604 570 H GLY 68 H GLY 68 -1.046 1.026 -13.372 571 1HA GLY 68 1HA GLY 68 -0.926 -1.420 -12.314 572 2HA GLY 68 2HA GLY 68 0.131 -1.624 -13.709 573 H ILE 69 H ILE 69 -0.267 -0.092 -10.598 574 HA ILE 69 HA ILE 69 1.871 1.653 -10.480 575 HB ILE 69 HB ILE 69 0.937 -0.251 -8.318 576 1HG1 ILE 69 1HG1 ILE 69 -0.686 1.467 -9.503 577 2HG1 ILE 69 2HG1 ILE 69 -0.688 1.322 -7.747 578 1HG2 ILE 69 1HG2 ILE 69 1.830 1.689 -6.862 579 2HG2 ILE 69 2HG2 ILE 69 2.711 2.190 -8.305 580 3HG2 ILE 69 3HG2 ILE 69 3.017 0.606 -7.592 581 1HD1 ILE 69 1HD1 ILE 69 -0.554 3.705 -8.791 582 2HD1 ILE 69 2HD1 ILE 69 1.131 3.304 -9.106 583 3HD1 ILE 69 3HD1 ILE 69 0.522 3.314 -7.452 584 H LYS 70 H LYS 70 4.071 1.478 -10.041 585 HA LYS 70 HA LYS 70 5.310 -1.011 -10.847 586 1HB LYS 70 1HB LYS 70 6.042 1.495 -11.297 587 2HB LYS 70 2HB LYS 70 6.870 1.297 -9.755 588 1HG LYS 70 1HG LYS 70 8.519 0.533 -11.198 589 2HG LYS 70 2HG LYS 70 7.680 -0.983 -10.866 590 1HD LYS 70 1HD LYS 70 6.328 -0.682 -12.914 591 2HD LYS 70 2HD LYS 70 7.173 0.830 -13.248 592 1HE LYS 70 1HE LYS 70 8.324 -0.760 -14.564 593 2HE LYS 70 2HE LYS 70 9.339 -0.586 -13.132 594 1HZ LYS 70 1HZ LYS 70 7.426 -2.758 -13.757 595 2HZ LYS 70 2HZ LYS 70 8.053 -2.519 -12.196 596 3HZ LYS 70 3HZ LYS 70 9.096 -2.882 -13.487 597 H SER 71 H SER 71 5.013 0.929 -7.897 598 HA SER 71 HA SER 71 5.227 -1.300 -6.175 599 1HB SER 71 1HB SER 71 7.658 -0.953 -7.068 600 2HB SER 71 2HB SER 71 7.680 0.426 -5.973 601 HG SER 71 HG SER 71 7.540 -2.310 -5.440 602 H VAL 72 H VAL 72 5.816 -0.458 -3.847 603 HA VAL 72 HA VAL 72 4.983 2.304 -3.376 604 HB VAL 72 HB VAL 72 3.496 0.056 -2.011 605 1HG1 VAL 72 1HG1 VAL 72 2.894 3.007 -2.374 606 2HG1 VAL 72 2HG1 VAL 72 3.579 2.289 -0.917 607 3HG1 VAL 72 3HG1 VAL 72 1.947 1.861 -1.427 608 1HG2 VAL 72 1HG2 VAL 72 1.600 0.648 -3.549 609 2HG2 VAL 72 2HG2 VAL 72 2.954 -0.119 -4.376 610 3HG2 VAL 72 3HG2 VAL 72 2.725 1.627 -4.491 611 H ASN 73 H ASN 73 5.613 3.068 -1.315 612 HA ASN 73 HA ASN 73 6.639 1.359 0.718 613 1HB ASN 73 1HB ASN 73 8.381 1.226 -1.190 614 2HB ASN 73 2HB ASN 73 8.814 2.864 -0.710 615 1HD2 ASN 73 1HD2 ASN 73 8.170 -0.309 0.906 616 2HD2 ASN 73 2HD2 ASN 73 9.449 -0.159 2.014 617 H PHE 74 H PHE 74 7.651 2.476 2.463 618 HA PHE 74 HA PHE 74 7.143 5.387 2.543 619 1HB PHE 74 1HB PHE 74 6.818 4.049 5.126 620 2HB PHE 74 2HB PHE 74 5.752 5.197 4.321 621 HD1 PHE 74 HD1 PHE 74 6.918 1.655 3.833 622 HD2 PHE 74 HD2 PHE 74 3.623 4.411 3.786 623 HE1 PHE 74 HE1 PHE 74 5.375 -0.198 3.256 624 HE2 PHE 74 HE2 PHE 74 2.083 2.559 3.205 625 HZ PHE 74 HZ PHE 74 2.958 0.255 2.941 626 H VAL 75 H VAL 75 8.634 6.581 3.789 627 HA VAL 75 HA VAL 75 10.824 5.102 5.071 628 HB VAL 75 HB VAL 75 12.539 6.279 3.823 629 1HG1 VAL 75 1HG1 VAL 75 11.516 4.137 2.932 630 2HG1 VAL 75 2HG1 VAL 75 12.294 5.147 1.714 631 3HG1 VAL 75 3HG1 VAL 75 10.536 5.138 1.859 632 1HG2 VAL 75 1HG2 VAL 75 10.168 7.555 2.427 633 2HG2 VAL 75 2HG2 VAL 75 11.817 7.636 1.808 634 3HG2 VAL 75 3HG2 VAL 75 11.420 8.374 3.360 635 H ASN 76 H ASN 76 12.545 7.374 5.249 636 HA ASN 76 HA ASN 76 11.027 8.963 7.223 637 1HB ASN 76 1HB ASN 76 14.019 8.954 7.062 638 2HB ASN 76 2HB ASN 76 12.975 9.184 8.463 639 1HD2 ASN 76 1HD2 ASN 76 11.261 6.838 7.850 640 2HD2 ASN 76 2HD2 ASN 76 12.202 5.468 8.195 641 H GLU 77 H GLU 77 11.629 11.229 7.461 642 HA GLU 77 HA GLU 77 11.141 12.852 5.405 643 1HB GLU 77 1HB GLU 77 13.357 13.636 7.280 644 2HB GLU 77 2HB GLU 77 12.066 14.635 6.613 645 1HG GLU 77 1HG GLU 77 11.804 12.459 8.705 646 2HG GLU 77 2HG GLU 77 11.513 14.184 8.916 647 H GLN 78 H GLN 78 14.562 12.474 6.368 648 HA GLN 78 HA GLN 78 15.700 13.575 4.118 649 1HB GLN 78 1HB GLN 78 16.743 11.279 5.793 650 2HB GLN 78 2HB GLN 78 17.711 12.216 4.655 651 1HG GLN 78 1HG GLN 78 17.160 14.280 5.923 652 2HG GLN 78 2HG GLN 78 16.268 13.304 7.089 653 1HE2 GLN 78 1HE2 GLN 78 19.230 14.753 6.656 654 2HE2 GLN 78 2HE2 GLN 78 20.183 13.729 7.618 655 H ASP 79 H ASP 79 14.958 10.126 4.636 656 HA ASP 79 HA ASP 79 15.900 9.156 2.206 657 1HB ASP 79 1HB ASP 79 13.654 8.264 4.000 658 2HB ASP 79 2HB ASP 79 14.033 7.403 2.508 659 H PHE 80 H PHE 80 12.438 9.897 2.895 660 HA PHE 80 HA PHE 80 11.435 9.683 0.361 661 1HB PHE 80 1HB PHE 80 9.893 10.129 2.091 662 2HB PHE 80 2HB PHE 80 10.763 11.568 2.616 663 HD1 PHE 80 HD1 PHE 80 9.400 13.437 2.278 664 HD2 PHE 80 HD2 PHE 80 9.608 10.420 -0.770 665 HE1 PHE 80 HE1 PHE 80 7.980 14.831 0.799 666 HE2 PHE 80 HE2 PHE 80 8.190 11.813 -2.249 667 HZ PHE 80 HZ PHE 80 7.376 14.020 -1.464 668 H PHE 81 H PHE 81 13.069 12.503 1.785 669 HA PHE 81 HA PHE 81 12.777 14.288 -0.348 670 1HB PHE 81 1HB PHE 81 13.704 14.824 1.931 671 2HB PHE 81 2HB PHE 81 15.212 14.060 1.432 672 HD1 PHE 81 HD1 PHE 81 16.849 15.366 0.392 673 HD2 PHE 81 HD2 PHE 81 12.745 16.626 0.246 674 HE1 PHE 81 HE1 PHE 81 17.532 17.460 -0.748 675 HE2 PHE 81 HE2 PHE 81 13.429 18.720 -0.894 676 HZ PHE 81 HZ PHE 81 15.822 19.137 -1.391 677 H PHE 82 H PHE 82 15.759 12.484 0.417 678 HA PHE 82 HA PHE 82 17.261 12.833 -1.775 679 1HB PHE 82 1HB PHE 82 17.616 11.229 0.231 680 2HB PHE 82 2HB PHE 82 16.835 10.020 -0.788 681 HD1 PHE 82 HD1 PHE 82 19.627 12.505 -0.753 682 HD2 PHE 82 HD2 PHE 82 18.050 8.898 -2.471 683 HE1 PHE 82 HE1 PHE 82 21.755 12.158 -1.977 684 HE2 PHE 82 HE2 PHE 82 20.180 8.550 -3.695 685 HZ PHE 82 HZ PHE 82 22.033 10.180 -3.447 686 H ASN 83 H ASN 83 14.273 11.030 -1.657 687 HA ASN 83 HA ASN 83 14.592 9.773 -4.220 688 1HB ASN 83 1HB ASN 83 12.983 9.284 -2.102 689 2HB ASN 83 2HB ASN 83 11.864 10.183 -3.121 690 1HD2 ASN 83 1HD2 ASN 83 13.191 7.088 -2.578 691 2HD2 ASN 83 2HD2 ASN 83 12.707 6.367 -4.037 692 H LEU 84 H LEU 84 12.594 12.486 -3.033 693 HA LEU 84 HA LEU 84 11.832 13.207 -5.738 694 1HB LEU 84 1HB LEU 84 10.411 14.825 -4.742 695 2HB LEU 84 2HB LEU 84 10.338 13.415 -3.691 696 HG LEU 84 HG LEU 84 12.447 14.763 -2.582 697 1HD1 LEU 84 1HD1 LEU 84 11.842 16.651 -4.270 698 2HD1 LEU 84 2HD1 LEU 84 12.104 17.094 -2.584 699 3HD1 LEU 84 3HD1 LEU 84 10.464 16.946 -3.212 700 1HD2 LEU 84 1HD2 LEU 84 10.830 15.485 -0.855 701 2HD2 LEU 84 2HD2 LEU 84 10.497 13.838 -1.386 702 3HD2 LEU 84 3HD2 LEU 84 9.502 15.171 -1.972 703 H ALA 85 H ALA 85 14.343 13.980 -3.539 704 HA ALA 85 HA ALA 85 14.913 16.631 -4.294 705 1HB ALA 85 1HB ALA 85 16.978 16.354 -3.186 706 2HB ALA 85 2HB ALA 85 17.028 14.625 -3.529 707 3HB ALA 85 3HB ALA 85 15.884 15.256 -2.344 708 H LYS 86 H LYS 86 14.881 13.937 -6.208 709 HA LYS 86 HA LYS 86 17.162 14.714 -7.871 710 1HB LYS 86 1HB LYS 86 16.626 12.296 -7.279 711 2HB LYS 86 2HB LYS 86 15.245 12.434 -8.362 712 1HG LYS 86 1HG LYS 86 16.841 11.650 -9.855 713 2HG LYS 86 2HG LYS 86 17.079 13.387 -10.039 714 1HD LYS 86 1HD LYS 86 19.270 12.690 -9.687 715 2HD LYS 86 2HD LYS 86 18.779 13.054 -8.034 716 1HE LYS 86 1HE LYS 86 19.829 10.896 -7.974 717 2HE LYS 86 2HE LYS 86 18.095 10.612 -7.822 718 1HZ LYS 86 1HZ LYS 86 18.751 10.691 -10.544 719 2HZ LYS 86 2HZ LYS 86 18.165 9.379 -9.639 720 3HZ LYS 86 3HZ LYS 86 19.838 9.639 -9.777 721 H LEU 87 H LEU 87 14.117 13.429 -9.089 722 HA LEU 87 HA LEU 87 12.661 14.176 -10.689 723 1HB LEU 87 1HB LEU 87 13.362 16.609 -9.154 724 2HB LEU 87 2HB LEU 87 12.702 16.899 -10.761 725 HG LEU 87 HG LEU 87 10.716 15.634 -10.260 726 1HD1 LEU 87 1HD1 LEU 87 11.190 13.789 -8.976 727 2HD1 LEU 87 2HD1 LEU 87 10.666 14.850 -7.671 728 3HD1 LEU 87 3HD1 LEU 87 12.385 14.641 -8.000 729 1HD2 LEU 87 1HD2 LEU 87 10.967 17.995 -9.337 730 2HD2 LEU 87 2HD2 LEU 87 11.324 17.258 -7.776 731 3HD2 LEU 87 3HD2 LEU 87 9.755 16.999 -8.534 732 H GLU 88 H GLU 88 15.879 15.565 -10.680 733 HA GLU 88 HA GLU 88 17.392 15.664 -12.427 734 1HB GLU 88 1HB GLU 88 15.720 13.894 -13.479 735 2HB GLU 88 2HB GLU 88 15.276 15.257 -14.505 736 1HG GLU 88 1HG GLU 88 18.053 14.103 -14.134 737 2HG GLU 88 2HG GLU 88 17.064 14.023 -15.590 738 H GLU 89 H GLU 89 14.391 16.819 -13.975 739 HA GLU 89 HA GLU 89 15.716 19.394 -14.469 740 1HB GLU 89 1HB GLU 89 14.424 17.943 -16.231 741 2HB GLU 89 2HB GLU 89 12.992 18.676 -15.510 742 1HG GLU 89 1HG GLU 89 13.605 20.122 -17.301 743 2HG GLU 89 2HG GLU 89 14.163 20.931 -15.839 744 H ASN 90 H ASN 90 14.350 18.351 -11.876 745 HA ASN 90 HA ASN 90 12.894 19.146 -10.256 746 1HB ASN 90 1HB ASN 90 13.942 21.792 -11.285 747 2HB ASN 90 2HB ASN 90 13.322 21.454 -9.670 748 1HD2 ASN 90 1HD2 ASN 90 16.105 22.320 -10.572 749 2HD2 ASN 90 2HD2 ASN 90 17.145 21.153 -9.912 750 H SER 91 H SER 91 11.875 19.003 -13.133 751 HA SER 91 HA SER 91 9.360 20.380 -12.603 752 1HB SER 91 1HB SER 91 10.644 22.095 -13.785 753 2HB SER 91 2HB SER 91 11.010 20.954 -15.076 754 HG SER 91 HG SER 91 9.083 22.497 -15.206 755 H ARG 92 H ARG 92 8.845 20.094 -15.592 756 HA ARG 92 HA ARG 92 7.884 17.349 -15.452 757 1HB ARG 92 1HB ARG 92 7.386 19.715 -17.217 758 2HB ARG 92 2HB ARG 92 7.025 18.106 -17.845 759 1HG ARG 92 1HG ARG 92 5.556 17.649 -15.955 760 2HG ARG 92 2HG ARG 92 5.986 19.186 -15.207 761 1HD ARG 92 1HD ARG 92 4.701 20.416 -16.674 762 2HD ARG 92 2HD ARG 92 4.937 19.281 -18.001 763 HE ARG 92 HE ARG 92 2.851 19.179 -15.986 764 1HH1 ARG 92 1HH1 ARG 92 4.716 17.486 -18.360 765 2HH1 ARG 92 2HH1 ARG 92 3.535 16.243 -18.603 766 1HH2 ARG 92 1HH2 ARG 92 1.295 17.552 -16.302 767 2HH2 ARG 92 2HH2 ARG 92 1.599 16.280 -17.438 768 H ASP 93 H ASP 93 9.158 15.730 -16.065 769 HA ASP 93 HA ASP 93 11.208 16.207 -18.135 770 1HB ASP 93 1HB ASP 93 10.905 14.014 -16.075 771 2HB ASP 93 2HB ASP 93 12.155 14.041 -17.317 772 H THR 94 H THR 94 10.348 15.839 -20.095 773 HA THR 94 HA THR 94 8.644 13.456 -20.478 774 HB THR 94 HB THR 94 7.651 15.596 -21.173 775 HG1 THR 94 HG1 THR 94 8.011 14.715 -23.653 776 1HG2 THR 94 1HG2 THR 94 10.169 16.351 -21.875 777 2HG2 THR 94 2HG2 THR 94 8.713 17.140 -22.482 778 3HG2 THR 94 3HG2 THR 94 9.518 15.909 -23.453 779 H LEU 95 H LEU 95 10.870 12.353 -20.272 780 HA LEU 95 HA LEU 95 12.505 12.508 -22.681 781 1HB LEU 95 1HB LEU 95 13.400 10.331 -21.165 782 2HB LEU 95 2HB LEU 95 14.083 11.954 -21.170 783 HG LEU 95 HG LEU 95 12.407 12.573 -19.380 784 1HD1 LEU 95 1HD1 LEU 95 12.060 9.583 -19.078 785 2HD1 LEU 95 2HD1 LEU 95 10.908 10.569 -19.976 786 3HD1 LEU 95 3HD1 LEU 95 11.173 10.868 -18.260 787 1HD2 LEU 95 1HD2 LEU 95 14.369 10.327 -18.824 788 2HD2 LEU 95 2HD2 LEU 95 13.640 11.345 -17.582 789 3HD2 LEU 95 3HD2 LEU 95 14.714 12.056 -18.787 790 H TYR 96 H TYR 96 12.839 10.776 -24.113 791 HA TYR 96 HA TYR 96 10.649 9.435 -25.060 792 1HB TYR 96 1HB TYR 96 13.078 7.833 -25.378 793 2HB TYR 96 2HB TYR 96 12.101 8.648 -26.596 794 HD1 TYR 96 HD1 TYR 96 15.244 8.623 -25.001 795 HD2 TYR 96 HD2 TYR 96 12.270 11.308 -26.551 796 HE1 TYR 96 HE1 TYR 96 16.955 10.406 -25.194 797 HE2 TYR 96 HE2 TYR 96 13.983 13.091 -26.744 798 HH TYR 96 HH TYR 96 17.224 12.673 -25.450 799 H GLN 97 H GLN 97 10.466 6.946 -25.185 800 HA GLN 97 HA GLN 97 10.940 5.715 -22.544 801 1HB GLN 97 1HB GLN 97 8.314 5.767 -24.050 802 2HB GLN 97 2HB GLN 97 8.642 4.742 -22.652 803 1HG GLN 97 1HG GLN 97 9.196 6.805 -21.339 804 2HG GLN 97 2HG GLN 97 8.686 7.771 -22.723 805 1HE2 GLN 97 1HE2 GLN 97 6.373 7.701 -23.317 806 2HE2 GLN 97 2HE2 GLN 97 5.213 7.182 -22.191 807 H ASN 98 H ASN 98 10.806 3.368 -22.578 808 HA ASN 98 HA ASN 98 12.070 2.268 -24.908 809 1HB ASN 98 1HB ASN 98 11.056 1.017 -22.350 810 2HB ASN 98 2HB ASN 98 11.888 0.112 -23.614 811 1HD2 ASN 98 1HD2 ASN 98 12.928 3.399 -23.244 812 2HD2 ASN 98 2HD2 ASN 98 14.366 3.068 -22.405 813 H SER 99 H SER 99 11.052 -0.222 -25.226 814 HA SER 99 HA SER 99 8.192 -0.164 -25.625 815 1HB SER 99 1HB SER 99 8.858 1.126 -27.574 816 2HB SER 99 2HB SER 99 10.059 -0.087 -28.007 817 HG SER 99 HG SER 99 7.319 -0.079 -28.336 818 H GLY 100 H GLY 100 11.189 -1.707 -25.388 819 1HA GLY 100 1HA GLY 100 10.456 -4.261 -26.490 820 2HA GLY 100 2HA GLY 100 11.870 -3.918 -25.498
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