NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20405 | 2fqh | 6812 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 9.271 15.458 -4.269 2 HA MET 1 HA MET 1 6.988 14.898 -5.961 3 2HB MET 1 2HB MET 1 8.304 13.026 -6.763 4 2HG MET 1 2HG MET 1 9.444 15.631 -6.675 5 1HE MET 1 1HE MET 1 11.718 13.467 -8.159 6 2HE MET 1 2HE MET 1 13.232 13.522 -7.224 7 3HE MET 1 3HE MET 1 12.001 12.292 -6.852 8 H SER 2 H SER 2 5.233 14.496 -4.594 9 HA SER 2 HA SER 2 5.691 12.392 -2.627 10 2HB SER 2 2HB SER 2 3.498 13.383 -1.606 11 HG SER 2 HG SER 2 6.139 14.222 -1.419 12 H GLU 3 H GLU 3 4.892 10.449 -3.335 13 HA GLU 3 HA GLU 3 2.274 10.484 -4.553 14 2HB GLU 3 2HB GLU 3 4.802 9.494 -5.874 15 2HG GLU 3 2HG GLU 3 2.786 8.431 -7.434 16 HE2 GLU 3 HE2 GLU 3 2.942 6.246 -7.504 17 H VAL 4 H VAL 4 1.069 9.146 -3.284 18 HA VAL 4 HA VAL 4 2.325 6.640 -2.434 19 HB VAL 4 HB VAL 4 1.524 8.853 -0.786 20 1HG1 VAL 4 1HG1 VAL 4 -0.066 6.299 -0.461 21 2HG1 VAL 4 2HG1 VAL 4 0.225 7.421 0.890 22 3HG1 VAL 4 3HG1 VAL 4 -0.659 7.975 -0.553 23 1HG2 VAL 4 1HG2 VAL 4 2.338 6.875 0.921 24 2HG2 VAL 4 2HG2 VAL 4 3.070 6.344 -0.613 25 3HG2 VAL 4 3HG2 VAL 4 3.429 7.964 0.030 26 H ASN 5 H ASN 5 1.227 5.082 -3.512 27 HA ASN 5 HA ASN 5 -1.665 5.279 -3.407 28 2HB ASN 5 2HB ASN 5 -1.965 5.026 -5.711 29 1HD2 ASN 5 1HD2 ASN 5 0.559 5.175 -7.442 30 2HD2 ASN 5 2HD2 ASN 5 1.033 6.840 -7.395 31 H ILE 6 H ILE 6 -2.441 3.336 -2.559 32 HA ILE 6 HA ILE 6 -0.846 0.929 -3.072 33 HB ILE 6 HB ILE 6 -1.524 2.194 -0.515 34 2HG1 ILE 6 2HG1 ILE 6 0.540 0.250 -1.551 35 1HG2 ILE 6 1HG2 ILE 6 -3.115 0.589 -0.085 36 2HG2 ILE 6 2HG2 ILE 6 -2.305 -0.645 -1.080 37 3HG2 ILE 6 3HG2 ILE 6 -1.643 -0.213 0.515 38 1HD1 ILE 6 1HD1 ILE 6 1.391 2.608 -0.038 39 2HD1 ILE 6 2HD1 ILE 6 1.844 2.101 -1.683 40 3HD1 ILE 6 3HD1 ILE 6 0.368 3.061 -1.422 41 H VAL 7 H VAL 7 -2.026 -0.937 -3.522 42 HA VAL 7 HA VAL 7 -4.928 -0.730 -3.291 43 HB VAL 7 HB VAL 7 -4.369 0.075 -5.522 44 1HG1 VAL 7 1HG1 VAL 7 -3.324 -1.460 -7.179 45 2HG1 VAL 7 2HG1 VAL 7 -2.217 -0.984 -5.869 46 3HG1 VAL 7 3HG1 VAL 7 -2.968 -2.598 -5.858 47 1HG2 VAL 7 1HG2 VAL 7 -5.402 -2.602 -6.228 48 2HG2 VAL 7 2HG2 VAL 7 -6.249 -1.799 -4.885 49 3HG2 VAL 7 3HG2 VAL 7 -6.120 -0.991 -6.466 50 H VAL 8 H VAL 8 -5.689 -2.525 -2.303 51 HA VAL 8 HA VAL 8 -4.078 -4.966 -2.598 52 HB VAL 8 HB VAL 8 -5.654 -4.148 -0.156 53 1HG1 VAL 8 1HG1 VAL 8 -5.261 -6.565 -0.444 54 2HG1 VAL 8 2HG1 VAL 8 -3.511 -6.263 -0.560 55 3HG1 VAL 8 3HG1 VAL 8 -4.377 -5.912 0.956 56 1HG2 VAL 8 1HG2 VAL 8 -2.820 -4.096 0.302 57 2HG2 VAL 8 2HG2 VAL 8 -3.204 -3.031 -1.072 58 3HG2 VAL 8 3HG2 VAL 8 -4.012 -2.788 0.495 59 H ASN 9 H ASN 9 -5.159 -6.714 -3.386 60 HA ASN 9 HA ASN 9 -8.061 -6.440 -3.472 61 2HB ASN 9 2HB ASN 9 -6.106 -7.757 -5.421 62 1HD2 ASN 9 1HD2 ASN 9 -9.342 -6.645 -6.042 63 2HD2 ASN 9 2HD2 ASN 9 -10.074 -8.173 -6.397 64 H GLY 10 H GLY 10 -8.927 -7.856 -1.941 65 1HA GLY 10 1HA GLY 10 -9.287 -9.717 -0.736 66 2HA GLY 10 2HA GLY 10 -8.576 -10.619 -2.059 67 H ARG 11 H ARG 11 -7.250 -8.196 0.314 68 HA ARG 11 HA ARG 11 -5.294 -8.194 1.312 69 2HB ARG 11 2HB ARG 11 -6.675 -9.214 3.031 70 2HG ARG 11 2HG ARG 11 -6.059 -11.878 1.666 71 2HD ARG 11 2HD ARG 11 -7.942 -11.353 4.004 72 HE ARG 11 HE ARG 11 -7.655 -13.587 2.395 73 1HH1 ARG 11 1HH1 ARG 11 -6.998 -12.951 5.818 74 2HH1 ARG 11 2HH1 ARG 11 -7.290 -14.587 6.305 75 2HH2 ARG 11 2HH2 ARG 11 -7.902 -16.213 4.654 76 H GLU 12 H GLU 12 -4.493 -8.754 -1.139 77 HA GLU 12 HA GLU 12 -3.256 -11.335 -1.260 78 2HB GLU 12 2HB GLU 12 -4.326 -10.200 -3.253 79 2HG GLU 12 2HG GLU 12 -3.230 -7.911 -2.602 80 HE2 GLU 12 HE2 GLU 12 -1.382 -9.782 -4.852 81 H ALA 13 H ALA 13 -0.897 -11.612 -1.650 82 HA ALA 13 HA ALA 13 0.647 -9.425 -0.432 83 1HB ALA 13 1HB ALA 13 0.412 -12.301 0.240 84 2HB ALA 13 2HB ALA 13 2.082 -11.695 0.131 85 3HB ALA 13 3HB ALA 13 0.929 -10.928 1.248 86 H GLY 14 H GLY 14 3.174 -10.038 -0.930 87 1HA GLY 14 1HA GLY 14 4.194 -11.320 -2.982 88 2HA GLY 14 2HA GLY 14 3.286 -10.101 -3.854 89 H SER 15 H SER 15 3.767 -8.302 -1.273 90 HA SER 15 HA SER 15 6.282 -7.302 -2.300 91 2HB SER 15 2HB SER 15 3.985 -5.972 -1.783 92 HG SER 15 HG SER 15 5.344 -4.956 0.415 93 H LYS 16 H LYS 16 7.496 -6.011 -0.265 94 HA LYS 16 HA LYS 16 8.226 -8.189 1.492 95 2HB LYS 16 2HB LYS 16 10.146 -6.852 2.035 96 2HG LYS 16 2HG LYS 16 9.487 -6.509 -0.929 97 2HD LYS 16 2HD LYS 16 12.096 -6.992 -0.946 98 2HE LYS 16 2HE LYS 16 12.528 -4.493 -0.665 99 1HZ LYS 16 1HZ LYS 16 10.090 -5.004 -2.264 100 2HZ LYS 16 2HZ LYS 16 11.301 -3.968 -2.599 101 H SER 17 H SER 17 5.589 -6.504 1.577 102 HA SER 17 HA SER 17 5.739 -4.985 3.905 103 2HB SER 17 2HB SER 17 3.931 -4.974 2.065 104 HG SER 17 HG SER 17 3.000 -6.932 1.923 105 H LYS 18 H LYS 18 5.843 -8.385 3.358 106 HA LYS 18 HA LYS 18 4.407 -9.413 5.475 107 2HB LYS 18 2HB LYS 18 5.903 -11.366 5.264 108 2HG LYS 18 2HG LYS 18 5.674 -11.546 2.657 109 2HD LYS 18 2HD LYS 18 3.067 -11.462 2.916 110 2HE LYS 18 2HE LYS 18 3.636 -13.279 5.023 111 1HZ LYS 18 1HZ LYS 18 3.334 -14.871 3.287 112 2HZ LYS 18 2HZ LYS 18 2.368 -13.622 2.889 113 H GLY 19 H GLY 19 7.911 -8.457 5.377 114 1HA GLY 19 1HA GLY 19 8.325 -8.901 8.144 115 2HA GLY 19 2HA GLY 19 9.357 -8.008 7.044 116 H CYS 20 H CYS 20 9.725 -5.971 7.797 117 HA CYS 20 HA CYS 20 7.417 -4.580 8.951 118 2HB CYS 20 2HB CYS 20 9.243 -3.234 10.198 119 HG CYS 20 HG CYS 20 9.333 -6.355 11.130 120 H ALA 21 H ALA 21 7.878 -2.038 8.793 121 HA ALA 21 HA ALA 21 8.164 -1.479 6.028 122 1HB ALA 21 1HB ALA 21 7.270 0.557 6.598 123 2HB ALA 21 2HB ALA 21 6.818 -0.339 8.068 124 3HB ALA 21 3HB ALA 21 8.261 0.702 8.069 125 H LEU 22 H LEU 22 10.212 -1.070 8.961 126 HA LEU 22 HA LEU 22 12.202 0.450 7.703 127 2HB LEU 22 2HB LEU 22 12.715 -1.416 9.994 128 HG LEU 22 HG LEU 22 14.574 0.045 9.327 129 1HD1 LEU 22 1HD1 LEU 22 14.179 2.070 8.513 130 2HD1 LEU 22 2HD1 LEU 22 12.476 1.993 9.025 131 3HD1 LEU 22 3HD1 LEU 22 13.716 2.602 10.148 132 1HD2 LEU 22 1HD2 LEU 22 13.255 0.133 11.952 133 2HD2 LEU 22 2HD2 LEU 22 14.941 -0.236 11.517 134 3HD2 LEU 22 3HD2 LEU 22 14.410 1.456 11.666 135 H CYS 23 H CYS 23 12.136 -3.091 8.538 136 HA CYS 23 HA CYS 23 13.499 -3.610 6.047 137 2HB CYS 23 2HB CYS 23 15.169 -5.102 7.382 138 HG CYS 23 HG CYS 23 15.587 -2.987 5.712 139 H GLY 24 H GLY 24 13.312 -5.921 5.468 140 1HA GLY 24 1HA GLY 24 11.191 -7.273 7.021 141 2HA GLY 24 2HA GLY 24 11.413 -7.394 5.287 142 H ALA 25 H ALA 25 12.589 -8.423 8.474 143 HA ALA 25 HA ALA 25 14.546 -10.177 7.191 144 1HB ALA 25 1HB ALA 25 14.181 -9.877 10.168 145 2HB ALA 25 2HB ALA 25 15.661 -10.212 9.237 146 3HB ALA 25 3HB ALA 25 14.965 -8.573 9.243 147 H THR 26 H THR 26 11.341 -10.070 8.528 148 HA THR 26 HA THR 26 11.328 -13.016 8.630 149 HB THR 26 HB THR 26 9.338 -11.394 10.201 150 HG1 THR 26 HG1 THR 26 11.218 -11.388 11.857 151 1HG2 THR 26 1HG2 THR 26 11.031 -13.469 11.494 152 2HG2 THR 26 2HG2 THR 26 9.260 -13.293 11.504 153 3HG2 THR 26 3HG2 THR 26 10.069 -14.082 10.129 154 H TRP 27 H TRP 27 8.834 -13.742 8.499 155 HA TRP 27 HA TRP 27 7.553 -12.165 6.396 156 2HB TRP 27 2HB TRP 27 7.578 -13.763 4.814 157 HD1 TRP 27 HD1 TRP 27 9.931 -13.319 3.719 158 HE1 TRP 27 HE1 TRP 27 12.417 -14.150 4.023 159 HE3 TRP 27 HE3 TRP 27 9.101 -15.882 8.031 160 HZ2 TRP 27 HZ2 TRP 27 13.728 -15.749 5.989 161 HZ3 TRP 27 HZ3 TRP 27 11.038 -17.051 9.079 162 HH2 TRP 27 HH2 TRP 27 13.289 -17.014 8.127 163 H GLY 28 H GLY 28 5.220 -12.962 6.101 164 1HA GLY 28 1HA GLY 28 3.724 -14.653 7.404 165 2HA GLY 28 2HA GLY 28 4.141 -13.612 8.750 166 H ASP 29 H ASP 29 1.742 -14.187 6.569 167 HA ASP 29 HA ASP 29 1.126 -11.364 6.243 168 2HB ASP 29 2HB ASP 29 1.113 -12.632 4.150 169 HD2 ASP 29 HD2 ASP 29 0.388 -14.837 3.018 170 H TYR 30 H TYR 30 0.634 -13.910 8.340 171 HA TYR 30 HA TYR 30 -2.071 -14.208 8.679 172 2HB TYR 30 2HB TYR 30 -1.349 -14.850 10.985 173 HD1 TYR 30 HD1 TYR 30 2.062 -15.040 10.578 174 HD2 TYR 30 HD2 TYR 30 -1.525 -16.628 8.868 175 HE1 TYR 30 HE1 TYR 30 3.353 -17.057 9.722 176 HE2 TYR 30 HE2 TYR 30 -0.222 -18.637 8.019 177 HH TYR 30 HH TYR 30 3.253 -18.953 8.702 178 H HIS 31 H HIS 31 0.040 -11.479 9.579 179 HA HIS 31 HA HIS 31 -2.107 -10.293 11.118 180 2HB HIS 31 2HB HIS 31 0.296 -8.678 10.671 181 HD1 HIS 31 HD1 HIS 31 -0.338 -6.926 12.344 182 HD2 HIS 31 HD2 HIS 31 -0.968 -10.809 13.801 183 HE1 HIS 31 HE1 HIS 31 -1.060 -6.667 14.777 184 H ALA 32 H ALA 32 -2.100 -7.663 10.640 185 HA ALA 32 HA ALA 32 -2.916 -7.537 7.835 186 1HB ALA 32 1HB ALA 32 -4.262 -6.870 10.106 187 2HB ALA 32 2HB ALA 32 -3.507 -5.306 9.715 188 3HB ALA 32 3HB ALA 32 -4.558 -6.110 8.524 189 H ASP 33 H ASP 33 -2.447 -5.446 6.664 190 HA ASP 33 HA ASP 33 -0.013 -4.214 7.655 191 2HB ASP 33 2HB ASP 33 1.034 -5.550 6.075 192 HD2 ASP 33 HD2 ASP 33 -1.464 -7.045 5.964 193 H PHE 34 H PHE 34 0.115 -1.956 7.089 194 HA PHE 34 HA PHE 34 -2.362 -0.864 6.061 195 2HB PHE 34 2HB PHE 34 -1.375 1.235 6.951 196 HD1 PHE 34 HD1 PHE 34 0.939 -0.040 9.145 197 HD2 PHE 34 HD2 PHE 34 -3.220 -0.246 8.325 198 HE1 PHE 34 HE1 PHE 34 0.503 -0.710 11.524 199 HE2 PHE 34 HE2 PHE 34 -3.656 -0.916 10.704 200 HZ PHE 34 HZ PHE 34 -1.789 -1.140 12.275 201 H LEU 35 H LEU 35 -1.830 1.390 4.764 202 HA LEU 35 HA LEU 35 -1.042 0.575 2.238 203 2HB LEU 35 2HB LEU 35 -2.503 2.400 2.464 204 HG LEU 35 HG LEU 35 -1.749 3.305 4.659 205 1HD1 LEU 35 1HD1 LEU 35 0.436 3.698 4.892 206 2HD1 LEU 35 2HD1 LEU 35 0.699 3.796 3.134 207 3HD1 LEU 35 3HD1 LEU 35 0.130 5.225 4.030 208 1HD2 LEU 35 1HD2 LEU 35 -3.298 4.672 3.615 209 2HD2 LEU 35 2HD2 LEU 35 -1.936 5.784 3.900 210 3HD2 LEU 35 3HD2 LEU 35 -2.195 5.089 2.282 211 H GLY 36 H GLY 36 0.856 1.221 5.029 212 1HA GLY 36 1HA GLY 36 3.194 2.176 3.631 213 2HA GLY 36 2HA GLY 36 3.053 1.748 5.323 214 H GLU 37 H GLU 37 1.787 -0.588 3.034 215 HA GLU 37 HA GLU 37 2.339 -2.753 2.999 216 2HB GLU 37 2HB GLU 37 3.117 -1.778 0.876 217 2HG GLU 37 2HG GLU 37 5.066 -0.523 2.429 218 HE2 GLU 37 HE2 GLU 37 7.313 -0.579 2.345 219 H ASP 38 H ASP 38 2.763 -2.513 5.524 220 HA ASP 38 HA ASP 38 5.302 -3.799 5.934 221 2HB ASP 38 2HB ASP 38 5.640 -1.319 6.360 222 HD2 ASP 38 HD2 ASP 38 4.915 0.387 7.126 223 H LEU 39 H LEU 39 5.277 -5.070 7.979 224 HA LEU 39 HA LEU 39 2.569 -5.316 9.094 225 2HB LEU 39 2HB LEU 39 4.140 -7.677 9.482 226 HG LEU 39 HG LEU 39 1.492 -7.119 8.923 227 1HD1 LEU 39 1HD1 LEU 39 2.590 -7.225 6.426 228 2HD1 LEU 39 2HD1 LEU 39 2.084 -8.915 6.668 229 3HD1 LEU 39 3HD1 LEU 39 0.895 -7.599 6.817 230 1HD2 LEU 39 1HD2 LEU 39 1.203 -9.587 8.965 231 2HD2 LEU 39 2HD2 LEU 39 2.972 -9.761 8.861 232 3HD2 LEU 39 3HD2 LEU 39 2.238 -8.964 10.274 233 H PHE 40 H PHE 40 2.348 -4.974 11.253 234 HA PHE 40 HA PHE 40 4.834 -4.548 12.729 235 2HB PHE 40 2HB PHE 40 3.008 -2.755 12.503 236 HD1 PHE 40 HD1 PHE 40 0.922 -3.632 11.460 237 HD2 PHE 40 HD2 PHE 40 1.752 -4.161 15.587 238 HE1 PHE 40 HE1 PHE 40 -1.496 -4.153 11.880 239 HE2 PHE 40 HE2 PHE 40 -0.667 -4.683 16.007 240 HZ PHE 40 HZ PHE 40 -2.263 -4.673 14.148 241 H PHE 41 H PHE 41 3.512 -7.239 12.096 242 HA PHE 41 HA PHE 41 2.671 -8.038 14.765 243 2HB PHE 41 2HB PHE 41 1.811 -8.626 12.200 244 HD1 PHE 41 HD1 PHE 41 4.237 -8.984 11.084 245 HD2 PHE 41 HD2 PHE 41 2.093 -11.902 13.297 246 HE1 PHE 41 HE1 PHE 41 5.527 -10.804 9.935 247 HE2 PHE 41 HE2 PHE 41 3.383 -13.722 12.147 248 HZ PHE 41 HZ PHE 41 5.084 -13.151 10.480 249 H CYS 42 H CYS 42 5.538 -7.756 12.962 250 HA CYS 42 HA CYS 42 6.705 -10.168 14.075 251 2HB CYS 42 2HB CYS 42 7.481 -8.231 11.930 252 HG CYS 42 HG CYS 42 9.671 -7.828 12.862 253 H CYS 43 H CYS 43 7.439 -6.600 13.876 254 HA CYS 43 HA CYS 43 8.750 -6.877 16.479 255 2HB CYS 43 2HB CYS 43 9.240 -4.410 14.921 256 HG CYS 43 HG CYS 43 11.484 -4.326 15.881 257 H ASP 44 H ASP 44 6.913 -4.482 14.430 258 HA ASP 44 HA ASP 44 5.238 -3.173 14.888 259 2HB ASP 44 2HB ASP 44 4.752 -5.319 16.607 260 HD2 ASP 44 HD2 ASP 44 3.108 -3.667 19.303 261 H ILE 45 H ILE 45 8.187 -2.981 16.037 262 HA ILE 45 HA ILE 45 7.670 -0.937 18.072 263 HB ILE 45 HB ILE 45 10.121 -2.572 17.419 264 2HG1 ILE 45 2HG1 ILE 45 9.735 -3.759 19.366 265 1HG2 ILE 45 1HG2 ILE 45 10.651 -1.253 19.779 266 2HG2 ILE 45 2HG2 ILE 45 11.310 -0.840 18.178 267 3HG2 ILE 45 3HG2 ILE 45 9.867 0.003 18.790 268 1HD1 ILE 45 1HD1 ILE 45 7.698 -2.805 20.876 269 2HD1 ILE 45 2HD1 ILE 45 9.391 -2.332 21.151 270 3HD1 ILE 45 3HD1 ILE 45 8.309 -1.265 20.224 271 H CYS 46 H CYS 46 9.975 -1.577 15.328 272 HA CYS 46 HA CYS 46 10.152 1.287 14.947 273 2HB CYS 46 2HB CYS 46 12.228 -0.044 14.976 274 HG CYS 46 HG CYS 46 10.746 -1.303 12.296 275 H ALA 47 H ALA 47 8.255 -1.372 13.954 276 HA ALA 47 HA ALA 47 7.776 -0.243 11.298 277 1HB ALA 47 1HB ALA 47 6.327 -2.687 12.051 278 2HB ALA 47 2HB ALA 47 7.378 -2.370 10.648 279 3HB ALA 47 3HB ALA 47 8.092 -2.852 12.207 280 H ALA 48 H ALA 48 5.392 -0.197 10.613 281 HA ALA 48 HA ALA 48 3.307 0.495 10.899 282 1HB ALA 48 1HB ALA 48 2.269 -0.763 12.441 283 2HB ALA 48 2HB ALA 48 3.829 -1.096 13.231 284 3HB ALA 48 3HB ALA 48 2.867 0.318 13.722 285 H GLU 49 H GLU 49 4.902 2.491 10.470 286 HA GLU 49 HA GLU 49 4.978 4.276 12.705 287 2HB GLU 49 2HB GLU 49 5.949 5.849 10.869 288 2HG GLU 49 2HG GLU 49 7.105 3.376 12.067 289 HE2 GLU 49 HE2 GLU 49 7.837 5.328 9.180 290 H PHE 50 H PHE 50 3.955 6.419 12.721 291 HA PHE 50 HA PHE 50 1.358 6.305 11.435 292 2HB PHE 50 2HB PHE 50 0.937 8.208 13.040 293 HD1 PHE 50 HD1 PHE 50 0.698 5.155 13.033 294 HD2 PHE 50 HD2 PHE 50 2.498 7.872 15.750 295 HE1 PHE 50 HE1 PHE 50 0.343 3.520 14.905 296 HE2 PHE 50 HE2 PHE 50 2.142 6.238 17.621 297 HZ PHE 50 HZ PHE 50 1.068 4.081 17.176 298 H MET 51 H MET 51 4.356 7.316 10.485 299 HA MET 51 HA MET 51 4.119 9.930 9.785 300 2HB MET 51 2HB MET 51 5.343 8.117 7.733 301 2HG MET 51 2HG MET 51 5.870 10.580 7.972 302 1HE MET 51 1HE MET 51 4.912 11.805 9.417 303 2HE MET 51 2HE MET 51 5.170 11.995 11.168 304 3HE MET 51 3HE MET 51 6.257 12.805 10.014 305 H ASN 52 H ASN 52 2.312 7.206 8.590 306 HA ASN 52 HA ASN 52 1.694 8.506 6.107 307 2HB ASN 52 2HB ASN 52 0.534 6.476 5.542 308 1HD2 ASN 52 1HD2 ASN 52 2.917 6.784 4.941 309 2HD2 ASN 52 2HD2 ASN 52 4.018 5.555 5.468 310 H MET 53 H MET 53 -1.012 8.027 5.722 311 HA MET 53 HA MET 53 -2.163 9.871 7.586 312 2HB MET 53 2HB MET 53 -4.193 9.477 5.952 313 2HG MET 53 2HG MET 53 -1.911 10.350 4.251 314 1HE MET 53 1HE MET 53 -3.810 13.958 4.023 315 2HE MET 53 2HE MET 53 -2.801 13.489 5.413 316 3HE MET 53 3HE MET 53 -2.244 13.155 3.756 317 H MET 54 H MET 54 -4.220 9.478 8.724 318 HA MET 54 HA MET 54 -4.204 7.169 10.166 319 2HB MET 54 2HB MET 54 -6.792 7.910 10.449 320 2HG MET 54 2HG MET 54 -6.023 9.821 11.917 321 1HE MET 54 1HE MET 54 -7.327 7.765 12.377 322 2HE MET 54 2HE MET 54 -6.696 6.208 12.961 323 3HE MET 54 3HE MET 54 -6.849 7.583 14.081 324 H ASP 55 H ASP 55 -5.820 7.903 7.062 325 HA ASP 55 HA ASP 55 -7.703 6.034 6.903 326 2HB ASP 55 2HB ASP 55 -7.390 7.422 5.007 327 HD2 ASP 55 HD2 ASP 55 -4.862 8.479 3.373 328 H GLU 56 H GLU 56 -4.145 5.614 6.758 329 HA GLU 56 HA GLU 56 -3.867 3.188 5.667 330 2HB GLU 56 2HB GLU 56 -2.159 4.847 6.836 331 2HG GLU 56 2HG GLU 56 -2.459 2.656 8.943 332 HE2 GLU 56 HE2 GLU 56 -1.334 5.694 10.107 333 H ALA 57 H ALA 57 -4.934 3.940 9.029 334 HA ALA 57 HA ALA 57 -4.969 1.273 9.913 335 1HB ALA 57 1HB ALA 57 -5.350 2.374 11.832 336 2HB ALA 57 2HB ALA 57 -5.515 3.890 10.915 337 3HB ALA 57 3HB ALA 57 -6.949 2.886 11.241 338 H PHE 58 H PHE 58 -7.550 3.462 8.599 339 HA PHE 58 HA PHE 58 -9.644 1.697 8.785 340 2HB PHE 58 2HB PHE 58 -10.172 3.102 6.482 341 HD1 PHE 58 HD1 PHE 58 -11.700 2.505 8.813 342 HD2 PHE 58 HD2 PHE 58 -9.453 6.003 7.968 343 HE1 PHE 58 HE1 PHE 58 -13.176 3.826 10.356 344 HE2 PHE 58 HE2 PHE 58 -10.928 7.324 9.511 345 HZ PHE 58 HZ PHE 58 -12.772 6.219 10.687 346 H LYS 59 H LYS 59 -7.104 2.002 6.249 347 HA LYS 59 HA LYS 59 -8.165 0.478 4.272 348 2HB LYS 59 2HB LYS 59 -5.281 0.132 5.039 349 2HG LYS 59 2HG LYS 59 -6.261 -0.831 2.908 350 2HD LYS 59 2HD LYS 59 -7.497 1.733 2.766 351 2HE LYS 59 2HE LYS 59 -5.245 2.377 1.651 352 1HZ LYS 59 1HZ LYS 59 -4.989 0.339 0.343 353 2HZ LYS 59 2HZ LYS 59 -6.370 0.625 -0.471 354 H HIS 60 H HIS 60 -6.261 -0.732 7.120 355 HA HIS 60 HA HIS 60 -6.378 -3.387 6.541 356 2HB HIS 60 2HB HIS 60 -5.827 -1.722 8.833 357 HD1 HIS 60 HD1 HIS 60 -6.025 -5.380 9.570 358 HD2 HIS 60 HD2 HIS 60 -8.079 -1.874 10.609 359 HE1 HIS 60 HE1 HIS 60 -7.484 -5.975 11.576 360 H THR 61 H THR 61 -8.773 -1.468 8.489 361 HA THR 61 HA THR 61 -10.553 -3.616 8.832 362 HB THR 61 HB THR 61 -10.817 -0.569 8.938 363 HG1 THR 61 HG1 THR 61 -10.675 -2.814 10.827 364 1HG2 THR 61 1HG2 THR 61 -13.078 -0.880 9.137 365 2HG2 THR 61 2HG2 THR 61 -12.895 -2.651 9.083 366 3HG2 THR 61 3HG2 THR 61 -12.728 -1.784 10.629 367 H ALA 62 H ALA 62 -10.102 -1.244 6.205 368 HA ALA 62 HA ALA 62 -12.558 -1.735 4.939 369 1HB ALA 62 1HB ALA 62 -10.299 -0.089 4.601 370 2HB ALA 62 2HB ALA 62 -10.380 -1.074 3.120 371 3HB ALA 62 3HB ALA 62 -11.780 -0.092 3.613 372 H ARG 63 H ARG 63 -9.225 -3.070 4.374 373 HA ARG 63 HA ARG 63 -10.287 -4.936 2.516 374 2HB ARG 63 2HB ARG 63 -8.022 -4.054 2.175 375 2HG ARG 63 2HG ARG 63 -6.713 -5.521 4.364 376 2HD ARG 63 2HD ARG 63 -5.955 -2.938 4.669 377 HE ARG 63 HE ARG 63 -5.004 -5.097 2.962 378 1HH1 ARG 63 1HH1 ARG 63 -4.466 -1.696 3.800 379 2HH1 ARG 63 2HH1 ARG 63 -2.804 -1.710 3.310 380 2HH2 ARG 63 2HH2 ARG 63 -1.854 -3.731 2.440 381 H HIS 64 H HIS 64 -10.813 -4.797 5.679 382 HA HIS 64 HA HIS 64 -9.856 -7.347 6.536 383 2HB HIS 64 2HB HIS 64 -11.900 -5.516 7.823 384 HD1 HIS 64 HD1 HIS 64 -11.468 -5.751 10.601 385 HD2 HIS 64 HD2 HIS 64 -10.570 -9.032 8.147 386 HE1 HIS 64 HE1 HIS 64 -11.412 -7.793 12.130 387 H ASN 65 H ASN 65 -13.027 -5.917 5.539 388 HA ASN 65 HA ASN 65 -14.009 -8.656 5.376 389 2HB ASN 65 2HB ASN 65 -16.085 -6.600 5.139 390 1HD2 ASN 65 1HD2 ASN 65 -16.691 -8.940 4.746 391 2HD2 ASN 65 2HD2 ASN 65 -17.271 -9.851 6.101 392 H VAL 66 H VAL 66 -14.554 -5.342 3.936 393 HA VAL 66 HA VAL 66 -15.095 -6.610 1.368 394 HB VAL 66 HB VAL 66 -15.284 -3.671 1.849 395 1HG1 VAL 66 1HG1 VAL 66 -15.935 -5.316 -0.249 396 2HG1 VAL 66 2HG1 VAL 66 -17.500 -5.142 0.582 397 3HG1 VAL 66 3HG1 VAL 66 -16.616 -3.697 0.034 398 1HG2 VAL 66 1HG2 VAL 66 -16.451 -4.064 3.758 399 2HG2 VAL 66 2HG2 VAL 66 -17.768 -4.398 2.607 400 3HG2 VAL 66 3HG2 VAL 66 -16.837 -5.743 3.309 401 H ASP 67 H ASP 67 -14.313 -4.099 -0.074 402 HA ASP 67 HA ASP 67 -11.432 -4.269 0.278 403 2HB ASP 67 2HB ASP 67 -12.240 -5.714 -1.652 404 HD2 ASP 67 HD2 ASP 67 -14.553 -5.137 -2.329 405 H GLU 68 H GLU 68 -10.400 -2.222 0.010 406 HA GLU 68 HA GLU 68 -11.962 -0.112 -1.191 407 2HB GLU 68 2HB GLU 68 -10.746 1.040 1.131 408 2HG GLU 68 2HG GLU 68 -13.674 0.467 1.158 409 HE2 GLU 68 HE2 GLU 68 -11.880 4.029 1.755 410 H LEU 69 H LEU 69 -10.677 1.488 -2.197 411 HA LEU 69 HA LEU 69 -7.792 1.254 -1.781 412 2HB LEU 69 2HB LEU 69 -9.095 0.161 -3.970 413 HG LEU 69 HG LEU 69 -9.356 2.423 -4.981 414 1HD1 LEU 69 1HD1 LEU 69 -6.543 2.634 -4.177 415 2HD1 LEU 69 2HD1 LEU 69 -6.853 3.133 -5.858 416 3HD1 LEU 69 3HD1 LEU 69 -7.744 3.902 -4.523 417 1HD2 LEU 69 1HD2 LEU 69 -7.558 0.363 -6.244 418 2HD2 LEU 69 2HD2 LEU 69 -9.284 0.687 -6.537 419 3HD2 LEU 69 3HD2 LEU 69 -8.052 1.832 -7.121 420 H HIS 70 H HIS 70 -6.804 3.210 -1.561 421 HA HIS 70 HA HIS 70 -8.128 5.525 -2.696 422 2HB HIS 70 2HB HIS 70 -7.536 6.595 -0.305 423 HD1 HIS 70 HD1 HIS 70 -10.279 4.373 0.602 424 HD2 HIS 70 HD2 HIS 70 -9.822 7.755 -1.837 425 HE1 HIS 70 HE1 HIS 70 -12.625 5.297 0.212 426 H ILE 71 H ILE 71 -6.679 7.160 -3.294 427 HA ILE 71 HA ILE 71 -3.895 6.753 -2.495 428 HB ILE 71 HB ILE 71 -3.809 5.682 -4.525 429 2HG1 ILE 71 2HG1 ILE 71 -2.499 7.037 -5.947 430 1HG2 ILE 71 1HG2 ILE 71 -4.954 6.801 -6.602 431 2HG2 ILE 71 2HG2 ILE 71 -5.899 5.798 -5.476 432 3HG2 ILE 71 3HG2 ILE 71 -5.978 7.572 -5.366 433 1HD1 ILE 71 1HD1 ILE 71 -2.959 9.199 -6.496 434 2HD1 ILE 71 2HD1 ILE 71 -4.525 8.930 -5.695 435 3HD1 ILE 71 3HD1 ILE 71 -3.180 9.669 -4.793 436 H ASP 72 H ASP 72 -2.904 8.622 -1.888 437 HA ASP 72 HA ASP 72 -4.022 11.088 -2.895 438 2HB ASP 72 2HB ASP 72 -3.337 11.109 0.011 439 HD2 ASP 72 HD2 ASP 72 -5.810 11.845 -2.378 440 H GLY 73 H GLY 73 -2.381 12.726 -3.071 441 1HA GLY 73 1HA GLY 73 0.262 12.066 -1.935 442 2HA GLY 73 2HA GLY 73 0.084 12.457 -3.634 443 H ASN 74 H ASN 74 1.196 13.792 -0.918 444 HA ASN 74 HA ASN 74 0.405 16.429 -1.797 445 2HB ASN 74 2HB ASN 74 -0.833 16.851 0.075 446 1HD2 ASN 74 1HD2 ASN 74 0.251 15.187 2.611 447 2HD2 ASN 74 2HD2 ASN 74 -0.729 13.759 2.561 448 H TYR 75 H TYR 75 2.157 17.928 -1.560 449 HA TYR 75 HA TYR 75 4.722 16.815 -1.164 450 2HB TYR 75 2HB TYR 75 3.736 19.733 -1.123 451 HD1 TYR 75 HD1 TYR 75 6.272 17.805 -3.096 452 HD2 TYR 75 HD2 TYR 75 5.540 21.000 -0.346 453 HE1 TYR 75 HE1 TYR 75 8.706 18.519 -3.267 454 HE2 TYR 75 HE2 TYR 75 7.977 21.702 -0.526 455 HH TYR 75 HH TYR 75 9.803 21.511 -1.948 456 H GLN 76 H GLN 76 2.336 17.687 1.079 457 HA GLN 76 HA GLN 76 4.308 18.589 3.007 458 2HB GLN 76 2HB GLN 76 1.867 18.669 4.308 459 2HG GLN 76 2HG GLN 76 3.340 20.695 2.587 460 1HE2 GLN 76 1HE2 GLN 76 1.591 21.335 5.510 461 2HE2 GLN 76 2HE2 GLN 76 0.355 22.356 4.855 462 H LEU 77 H LEU 77 2.648 15.772 1.933 463 HA LEU 77 HA LEU 77 2.013 14.377 4.163 464 2HB LEU 77 2HB LEU 77 3.488 13.205 1.809 465 HG LEU 77 HG LEU 77 1.627 12.107 3.859 466 1HD1 LEU 77 1HD1 LEU 77 0.258 12.064 1.810 467 2HD1 LEU 77 2HD1 LEU 77 1.549 11.162 0.980 468 3HD1 LEU 77 3HD1 LEU 77 0.703 10.435 2.367 469 1HD2 LEU 77 1HD2 LEU 77 3.059 10.312 3.894 470 2HD2 LEU 77 2HD2 LEU 77 3.537 10.513 2.191 471 3HD2 LEU 77 3HD2 LEU 77 4.173 11.621 3.431 472 H GLY 78 H GLY 78 5.289 14.299 2.580 473 1HA GLY 78 1HA GLY 78 6.962 14.840 4.542 474 2HA GLY 78 2HA GLY 78 6.412 13.263 5.072 475 H ARG 79 H ARG 79 6.679 14.236 1.629 476 HA ARG 79 HA ARG 79 7.739 13.312 -0.024 477 2HB ARG 79 2HB ARG 79 10.367 12.826 0.874 478 2HG ARG 79 2HG ARG 79 8.872 15.018 -0.474 479 2HD ARG 79 2HD ARG 79 11.347 15.528 1.187 480 HE ARG 79 HE ARG 79 11.018 16.390 -1.607 481 1HH1 ARG 79 1HH1 ARG 79 12.503 17.135 1.523 482 2HH1 ARG 79 2HH1 ARG 79 13.737 18.139 0.839 483 2HH2 ARG 79 2HH2 ARG 79 13.802 18.465 -1.534 484 H ASN 80 H ASN 80 6.252 11.350 1.061 485 HA ASN 80 HA ASN 80 8.095 9.113 1.375 486 2HB ASN 80 2HB ASN 80 5.817 8.030 2.289 487 1HD2 ASN 80 1HD2 ASN 80 6.252 7.285 4.231 488 2HD2 ASN 80 2HD2 ASN 80 7.343 7.973 5.387 489 H VAL 81 H VAL 81 8.124 7.753 -0.421 490 HA VAL 81 HA VAL 81 5.709 7.729 -2.098 491 HB VAL 81 HB VAL 81 7.169 7.338 -3.996 492 1HG1 VAL 81 1HG1 VAL 81 7.432 9.771 -2.303 493 2HG1 VAL 81 2HG1 VAL 81 8.587 9.606 -3.648 494 3HG1 VAL 81 3HG1 VAL 81 6.837 9.587 -3.970 495 1HG2 VAL 81 1HG2 VAL 81 9.739 8.018 -3.132 496 2HG2 VAL 81 2HG2 VAL 81 9.153 6.852 -1.921 497 3HG2 VAL 81 3HG2 VAL 81 9.173 6.411 -3.646 498 H LEU 82 H LEU 82 4.608 5.867 -1.775 499 HA LEU 82 HA LEU 82 6.227 3.434 -1.480 500 2HB LEU 82 2HB LEU 82 5.044 2.713 0.289 501 HG LEU 82 HG LEU 82 4.664 5.700 0.448 502 1HD1 LEU 82 1HD1 LEU 82 4.058 5.157 2.922 503 2HD1 LEU 82 2HD1 LEU 82 2.796 5.089 1.668 504 3HD1 LEU 82 3HD1 LEU 82 3.540 3.587 2.263 505 1HD2 LEU 82 1HD2 LEU 82 6.157 4.917 2.598 506 2HD2 LEU 82 2HD2 LEU 82 6.653 3.735 1.363 507 3HD2 LEU 82 3HD2 LEU 82 6.813 5.478 1.041 508 H LEU 83 H LEU 83 5.966 2.075 -3.162 509 HA LEU 83 HA LEU 83 3.422 2.272 -4.620 510 2HB LEU 83 2HB LEU 83 6.098 1.442 -5.739 511 HG LEU 83 HG LEU 83 3.395 1.709 -6.888 512 1HD1 LEU 83 1HD1 LEU 83 4.075 2.693 -8.986 513 2HD1 LEU 83 2HD1 LEU 83 4.423 3.826 -7.658 514 3HD1 LEU 83 3HD1 LEU 83 5.743 2.888 -8.396 515 1HD2 LEU 83 1HD2 LEU 83 4.433 0.245 -8.631 516 2HD2 LEU 83 2HD2 LEU 83 5.959 0.328 -7.719 517 3HD2 LEU 83 3HD2 LEU 83 4.516 -0.402 -6.975 518 H LYS 84 H LYS 84 2.127 0.601 -4.078 519 HA LYS 84 HA LYS 84 3.427 -2.021 -3.830 520 2HB LYS 84 2HB LYS 84 0.947 -1.630 -2.285 521 2HG LYS 84 2HG LYS 84 3.537 -2.480 -1.060 522 2HD LYS 84 2HD LYS 84 2.177 -4.026 0.074 523 2HE LYS 84 2HE LYS 84 1.256 -1.431 -0.001 524 1HZ LYS 84 1HZ LYS 84 -0.825 -3.181 -1.098 525 2HZ LYS 84 2HZ LYS 84 -1.292 -2.039 -0.036 526 H ASN 85 H ASN 85 2.780 -3.401 -5.385 527 HA ASN 85 HA ASN 85 0.185 -2.830 -6.583 528 2HB ASN 85 2HB ASN 85 1.652 -4.588 -8.284 529 1HD2 ASN 85 1HD2 ASN 85 -0.656 -3.212 -8.420 530 2HD2 ASN 85 2HD2 ASN 85 -0.573 -1.927 -9.577 531 H GLY 86 H GLY 86 -1.341 -4.361 -5.947 532 1HA GLY 86 1HA GLY 86 -0.368 -7.084 -5.325 533 2HA GLY 86 2HA GLY 86 -1.718 -6.293 -4.535 534 H GLU 87 H GLU 87 -0.947 -8.598 -6.811 535 HA GLU 87 HA GLU 87 -3.420 -8.072 -8.269 536 2HB GLU 87 2HB GLU 87 -1.675 -7.924 -9.879 537 2HG GLU 87 2HG GLU 87 -0.124 -10.145 -9.971 538 HE2 GLU 87 HE2 GLU 87 0.745 -6.635 -9.562 539 H ASP 88 H ASP 88 -5.040 -9.480 -7.773 540 HA ASP 88 HA ASP 88 -4.308 -12.229 -7.308 541 2HB ASP 88 2HB ASP 88 -6.095 -10.671 -5.384 542 HD2 ASP 88 HD2 ASP 88 -6.911 -13.339 -3.630 543 H ARG 89 H ARG 89 -6.052 -13.663 -7.926 544 HA ARG 89 HA ARG 89 -8.625 -12.533 -8.393 545 2HB ARG 89 2HB ARG 89 -7.409 -13.898 -10.803 546 2HG ARG 89 2HG ARG 89 -9.867 -13.241 -10.635 547 2HD ARG 89 2HD ARG 89 -9.607 -11.113 -9.397 548 HE ARG 89 HE ARG 89 -7.799 -10.413 -11.629 549 1HH1 ARG 89 1HH1 ARG 89 -9.634 -9.248 -8.831 550 2HH1 ARG 89 2HH1 ARG 89 -8.702 -7.798 -8.667 551 2HH2 ARG 89 2HH2 ARG 89 -6.906 -7.378 -10.197 552 H LEU 90 H LEU 90 -10.248 -14.263 -8.910 553 HA LEU 90 HA LEU 90 -9.322 -16.981 -8.868 554 2HB LEU 90 2HB LEU 90 -11.157 -17.014 -6.774 555 HG LEU 90 HG LEU 90 -8.140 -17.209 -6.752 556 1HD1 LEU 90 1HD1 LEU 90 -8.537 -18.272 -4.445 557 2HD1 LEU 90 2HD1 LEU 90 -8.560 -16.497 -4.567 558 3HD1 LEU 90 3HD1 LEU 90 -10.088 -17.402 -4.460 559 1HD2 LEU 90 1HD2 LEU 90 -9.039 -19.054 -7.891 560 2HD2 LEU 90 2HD2 LEU 90 -8.745 -19.638 -6.236 561 3HD2 LEU 90 3HD2 LEU 90 -10.395 -19.214 -6.750 562 H ARG 91 H ARG 91 -11.324 -18.501 -8.923 563 HA ARG 91 HA ARG 91 -12.822 -17.818 -11.066 564 2HB ARG 91 2HB ARG 91 -14.486 -19.604 -9.752 565 2HG ARG 91 2HG ARG 91 -12.320 -19.715 -11.693 566 2HD ARG 91 2HD ARG 91 -12.105 -22.336 -11.252 567 HE ARG 91 HE ARG 91 -10.359 -20.737 -9.481 568 1HH1 ARG 91 1HH1 ARG 91 -10.978 -21.898 -12.771 569 2HH1 ARG 91 2HH1 ARG 91 -9.355 -21.618 -13.308 570 2HH2 ARG 91 2HH2 ARG 91 -7.750 -20.718 -11.773 571 H PHE 92 H PHE 92 -13.293 -17.022 -7.645 572 HA PHE 92 HA PHE 92 -16.007 -16.508 -7.618 573 2HB PHE 92 2HB PHE 92 -14.739 -14.560 -6.002 574 HD1 PHE 92 HD1 PHE 92 -17.180 -16.302 -5.998 575 HD2 PHE 92 HD2 PHE 92 -13.458 -16.716 -4.004 576 HE1 PHE 92 HE1 PHE 92 -18.297 -17.641 -4.192 577 HE2 PHE 92 HE2 PHE 92 -14.573 -18.056 -2.199 578 HZ PHE 92 HZ PHE 92 -16.980 -18.502 -2.314 579 H TYR 93 H TYR 93 -13.314 -14.687 -9.037 580 HA TYR 93 HA TYR 93 -14.959 -12.315 -9.352 581 2HB TYR 93 2HB TYR 93 -12.545 -12.091 -10.799 582 HD1 TYR 93 HD1 TYR 93 -12.855 -9.764 -10.294 583 HD2 TYR 93 HD2 TYR 93 -12.268 -12.590 -7.138 584 HE1 TYR 93 HE1 TYR 93 -12.493 -7.861 -8.648 585 HE2 TYR 93 HE2 TYR 93 -11.908 -10.678 -5.502 586 HH TYR 93 HH TYR 93 -12.839 -7.998 -5.634 587 H VAL 94 H VAL 94 -15.705 -11.498 -11.337 588 HA VAL 94 HA VAL 94 -15.592 -13.453 -13.528 589 HB VAL 94 HB VAL 94 -17.717 -12.479 -14.256 590 1HG1 VAL 94 1HG1 VAL 94 -18.059 -13.208 -11.349 591 2HG1 VAL 94 2HG1 VAL 94 -19.068 -13.646 -12.749 592 3HG1 VAL 94 3HG1 VAL 94 -17.471 -14.402 -12.530 593 1HG2 VAL 94 1HG2 VAL 94 -18.655 -11.120 -11.982 594 2HG2 VAL 94 2HG2 VAL 94 -17.037 -10.449 -12.300 595 3HG2 VAL 94 3HG2 VAL 94 -18.278 -10.427 -13.576 596 H LYS 95 H LYS 95 -14.862 -10.199 -12.419 597 HA LYS 95 HA LYS 95 -14.609 -9.102 -15.047 598 2HB LYS 95 2HB LYS 95 -13.372 -7.286 -13.607 599 2HG LYS 95 2HG LYS 95 -15.831 -6.754 -12.628 600 2HD LYS 95 2HD LYS 95 -14.482 -6.359 -15.184 601 2HE LYS 95 2HE LYS 95 -17.394 -5.877 -15.556 602 1HZ LYS 95 1HZ LYS 95 -15.287 -5.727 -17.144 603 2HZ LYS 95 2HZ LYS 95 -15.688 -7.270 -17.475 604 H PHE 96 H PHE 96 -12.643 -11.014 -12.851 605 HA PHE 96 HA PHE 96 -10.438 -11.449 -12.825 606 2HB PHE 96 2HB PHE 96 -11.688 -12.883 -14.597 607 HD1 PHE 96 HD1 PHE 96 -13.103 -11.287 -16.016 608 HD2 PHE 96 HD2 PHE 96 -9.003 -12.060 -16.793 609 HE1 PHE 96 HE1 PHE 96 -13.395 -10.464 -18.369 610 HE2 PHE 96 HE2 PHE 96 -9.295 -11.236 -19.146 611 HZ PHE 96 HZ PHE 96 -11.488 -10.448 -19.906 612 H GLY 97 H GLY 97 -9.668 -9.223 -12.413 613 1HA GLY 97 1HA GLY 97 -8.742 -7.731 -14.742 614 2HA GLY 97 2HA GLY 97 -8.737 -7.213 -13.068 615 HA PRO 98 HA PRO 98 -4.618 -9.011 -14.341 616 2HB PRO 98 2HB PRO 98 -4.033 -8.028 -16.340 617 2HG PRO 98 2HG PRO 98 -5.418 -6.311 -17.011 618 2HD PRO 98 2HD PRO 98 -7.341 -6.876 -15.887 619 H GLY 99 H GLY 99 -5.897 -6.636 -12.428 620 1HA GLY 99 1HA GLY 99 -5.252 -5.712 -10.483 621 2HA GLY 99 2HA GLY 99 -4.288 -7.157 -10.250 622 H ALA 100 H ALA 100 -4.250 -3.995 -12.035 623 HA ALA 100 HA ALA 100 -1.365 -3.888 -11.471 624 1HB ALA 100 1HB ALA 100 -2.034 -4.336 -13.901 625 2HB ALA 100 2HB ALA 100 -2.732 -2.698 -13.908 626 3HB ALA 100 3HB ALA 100 -0.989 -2.922 -13.621 627 H VAL 101 H VAL 101 -0.582 -1.487 -11.613 628 HA VAL 101 HA VAL 101 -1.694 -0.055 -9.604 629 HB VAL 101 HB VAL 101 -0.640 1.941 -10.948 630 1HG1 VAL 101 1HG1 VAL 101 0.812 1.532 -9.299 631 2HG1 VAL 101 2HG1 VAL 101 0.435 -0.207 -9.310 632 3HG1 VAL 101 3HG1 VAL 101 1.667 0.444 -10.419 633 1HG2 VAL 101 1HG2 VAL 101 0.720 1.449 -12.759 634 2HG2 VAL 101 2HG2 VAL 101 0.827 -0.279 -12.348 635 3HG2 VAL 101 3HG2 VAL 101 -0.669 0.377 -13.056 636 H ILE 102 H ILE 102 -2.678 -0.177 -13.038 637 HA ILE 102 HA ILE 102 -4.223 2.036 -13.256 638 HB ILE 102 HB ILE 102 -3.777 0.461 -15.047 639 2HG1 ILE 102 2HG1 ILE 102 -5.892 2.037 -14.865 640 1HG2 ILE 102 1HG2 ILE 102 -4.350 -1.711 -15.079 641 2HG2 ILE 102 2HG2 ILE 102 -4.474 -1.515 -13.314 642 3HG2 ILE 102 3HG2 ILE 102 -5.936 -1.416 -14.326 643 1HD1 ILE 102 1HD1 ILE 102 -6.355 1.574 -17.160 644 2HD1 ILE 102 2HD1 ILE 102 -4.644 1.130 -16.946 645 3HD1 ILE 102 3HD1 ILE 102 -5.894 -0.137 -16.990 646 H LYS 103 H LYS 103 -4.930 -0.986 -11.463 647 HA LYS 103 HA LYS 103 -7.611 -0.569 -10.982 648 2HB LYS 103 2HB LYS 103 -7.284 -2.049 -9.044 649 2HG LYS 103 2HG LYS 103 -5.537 -3.625 -10.567 650 2HD LYS 103 2HD LYS 103 -8.284 -3.557 -9.876 651 2HE LYS 103 2HE LYS 103 -8.815 -2.624 -12.110 652 1HZ LYS 103 1HZ LYS 103 -7.826 -3.399 -13.979 653 2HZ LYS 103 2HZ LYS 103 -6.687 -4.027 -13.000 654 H GLU 104 H GLU 104 -4.727 0.617 -9.142 655 HA GLU 104 HA GLU 104 -6.038 1.797 -7.091 656 2HB GLU 104 2HB GLU 104 -3.481 2.479 -8.561 657 2HG GLU 104 2HG GLU 104 -3.515 3.777 -6.014 658 HE2 GLU 104 HE2 GLU 104 -4.509 5.674 -8.898 659 H PHE 105 H PHE 105 -5.311 3.178 -10.360 660 HA PHE 105 HA PHE 105 -6.300 5.714 -9.910 661 2HB PHE 105 2HB PHE 105 -6.819 4.279 -12.526 662 HD1 PHE 105 HD1 PHE 105 -6.815 5.722 -14.347 663 HD2 PHE 105 HD2 PHE 105 -4.933 6.956 -10.749 664 HE1 PHE 105 HE1 PHE 105 -6.476 8.015 -15.311 665 HE2 PHE 105 HE2 PHE 105 -4.593 9.248 -11.714 666 HZ PHE 105 HZ PHE 105 -5.369 9.751 -13.983 667 H LYS 106 H LYS 106 -7.989 2.646 -10.658 668 HA LYS 106 HA LYS 106 -10.373 3.412 -11.573 669 2HB LYS 106 2HB LYS 106 -10.355 1.509 -9.258 670 2HG LYS 106 2HG LYS 106 -12.092 2.105 -11.396 671 2HD LYS 106 2HD LYS 106 -12.057 0.278 -12.901 672 2HE LYS 106 2HE LYS 106 -9.073 0.359 -12.535 673 1HZ LYS 106 1HZ LYS 106 -9.245 0.779 -14.920 674 2HZ LYS 106 2HZ LYS 106 -10.132 -0.535 -14.550 675 H ILE 107 H ILE 107 -9.031 4.117 -8.361 676 HA ILE 107 HA ILE 107 -11.163 4.702 -6.858 677 HB ILE 107 HB ILE 107 -8.917 4.959 -6.083 678 2HG1 ILE 107 2HG1 ILE 107 -10.524 6.152 -4.787 679 1HG2 ILE 107 1HG2 ILE 107 -8.614 7.487 -7.705 680 2HG2 ILE 107 2HG2 ILE 107 -7.374 6.584 -6.802 681 3HG2 ILE 107 3HG2 ILE 107 -8.067 5.898 -8.291 682 1HD1 ILE 107 1HD1 ILE 107 -7.896 6.799 -4.755 683 2HD1 ILE 107 2HD1 ILE 107 -8.567 8.384 -5.210 684 3HD1 ILE 107 3HD1 ILE 107 -9.085 7.598 -3.699 685 H THR 108 H THR 108 -10.144 6.363 -9.819 686 HA THR 108 HA THR 108 -12.601 7.951 -9.647 687 HB THR 108 HB THR 108 -11.292 9.938 -10.449 688 HG1 THR 108 HG1 THR 108 -9.106 9.585 -10.863 689 1HG2 THR 108 1HG2 THR 108 -11.270 8.940 -7.825 690 2HG2 THR 108 2HG2 THR 108 -9.544 9.192 -8.180 691 3HG2 THR 108 3HG2 THR 108 -10.688 10.549 -8.319 692 H ASP 109 H ASP 109 -9.866 6.731 -11.657 693 HA ASP 109 HA ASP 109 -10.674 7.328 -14.094 694 2HB ASP 109 2HB ASP 109 -9.597 4.719 -12.974 695 HD2 ASP 109 HD2 ASP 109 -9.135 3.191 -16.081 Start of MODEL 2 1 1H MET 1 1H MET 1 6.170 13.011 -7.878 2 HA MET 1 HA MET 1 7.433 14.403 -6.586 3 2HB MET 1 2HB MET 1 6.523 16.357 -5.457 4 2HG MET 1 2HG MET 1 6.074 15.949 -8.247 5 1HE MET 1 1HE MET 1 2.596 15.383 -8.954 6 2HE MET 1 2HE MET 1 3.737 16.258 -10.005 7 3HE MET 1 3HE MET 1 4.314 14.919 -8.985 8 H SER 2 H SER 2 4.143 14.004 -5.071 9 HA SER 2 HA SER 2 5.293 11.978 -3.368 10 2HB SER 2 2HB SER 2 5.537 13.464 -1.664 11 HG SER 2 HG SER 2 4.738 15.584 -1.710 12 H GLU 3 H GLU 3 3.928 10.269 -3.752 13 HA GLU 3 HA GLU 3 1.100 10.794 -3.469 14 2HB GLU 3 2HB GLU 3 0.758 9.178 -5.498 15 2HG GLU 3 2HG GLU 3 1.333 11.250 -7.094 16 HE2 GLU 3 HE2 GLU 3 -1.257 10.846 -7.503 17 H VAL 4 H VAL 4 -0.032 9.076 -2.494 18 HA VAL 4 HA VAL 4 1.622 6.726 -1.876 19 HB VAL 4 HB VAL 4 1.182 8.348 0.001 20 1HG1 VAL 4 1HG1 VAL 4 -1.586 7.247 0.249 21 2HG1 VAL 4 2HG1 VAL 4 -0.911 8.794 0.816 22 3HG1 VAL 4 3HG1 VAL 4 -1.317 8.577 -0.903 23 1HG2 VAL 4 1HG2 VAL 4 1.801 6.400 0.962 24 2HG2 VAL 4 2HG2 VAL 4 0.082 6.289 1.412 25 3HG2 VAL 4 3HG2 VAL 4 0.681 5.433 -0.029 26 H ASN 5 H ASN 5 0.915 5.030 -3.066 27 HA ASN 5 HA ASN 5 -1.976 4.850 -3.410 28 2HB ASN 5 2HB ASN 5 0.331 4.103 -5.257 29 1HD2 ASN 5 1HD2 ASN 5 0.026 2.730 -6.936 30 2HD2 ASN 5 2HD2 ASN 5 -1.304 1.628 -7.080 31 H ILE 6 H ILE 6 -2.886 2.969 -2.527 32 HA ILE 6 HA ILE 6 -1.202 0.621 -2.244 33 HB ILE 6 HB ILE 6 -0.804 1.795 -0.183 34 2HG1 ILE 6 2HG1 ILE 6 -2.530 -0.668 -0.072 35 1HG2 ILE 6 1HG2 ILE 6 -2.832 3.217 -0.224 36 2HG2 ILE 6 2HG2 ILE 6 -3.801 1.805 0.264 37 3HG2 ILE 6 3HG2 ILE 6 -2.547 2.444 1.354 38 1HD1 ILE 6 1HD1 ILE 6 0.405 0.001 0.422 39 2HD1 ILE 6 2HD1 ILE 6 -0.319 -1.580 0.801 40 3HD1 ILE 6 3HD1 ILE 6 -0.269 -1.006 -0.882 41 H VAL 7 H VAL 7 -2.319 -1.068 -3.047 42 HA VAL 7 HA VAL 7 -5.200 -1.121 -2.584 43 HB VAL 7 HB VAL 7 -4.662 -0.086 -4.818 44 1HG1 VAL 7 1HG1 VAL 7 -2.731 -1.882 -5.113 45 2HG1 VAL 7 2HG1 VAL 7 -4.043 -2.825 -5.860 46 3HG1 VAL 7 3HG1 VAL 7 -3.612 -1.226 -6.514 47 1HG2 VAL 7 1HG2 VAL 7 -6.118 -2.648 -5.344 48 2HG2 VAL 7 2HG2 VAL 7 -6.747 -1.563 -4.081 49 3HG2 VAL 7 3HG2 VAL 7 -6.562 -0.973 -5.750 50 H VAL 8 H VAL 8 -5.533 -2.963 -1.457 51 HA VAL 8 HA VAL 8 -4.103 -5.347 -2.385 52 HB VAL 8 HB VAL 8 -4.634 -5.134 0.512 53 1HG1 VAL 8 1HG1 VAL 8 -2.838 -6.561 0.699 54 2HG1 VAL 8 2HG1 VAL 8 -3.392 -6.962 -0.945 55 3HG1 VAL 8 3HG1 VAL 8 -2.002 -5.875 -0.715 56 1HG2 VAL 8 1HG2 VAL 8 -2.730 -3.288 -0.914 57 2HG2 VAL 8 2HG2 VAL 8 -3.829 -2.954 0.445 58 3HG2 VAL 8 3HG2 VAL 8 -2.343 -3.896 0.714 59 H ASN 9 H ASN 9 -5.567 -6.818 -3.058 60 HA ASN 9 HA ASN 9 -8.180 -6.690 -1.772 61 2HB ASN 9 2HB ASN 9 -8.169 -8.233 -4.251 62 1HD2 ASN 9 1HD2 ASN 9 -8.586 -4.787 -4.299 63 2HD2 ASN 9 2HD2 ASN 9 -10.315 -4.735 -4.186 64 H GLY 10 H GLY 10 -8.774 -8.551 -0.623 65 1HA GLY 10 1HA GLY 10 -8.748 -10.655 0.168 66 2HA GLY 10 2HA GLY 10 -8.159 -11.175 -1.399 67 H ARG 11 H ARG 11 -6.728 -9.034 1.171 68 HA ARG 11 HA ARG 11 -4.624 -8.934 1.819 69 2HB ARG 11 2HB ARG 11 -5.331 -10.199 3.660 70 2HG ARG 11 2HG ARG 11 -5.581 -12.664 1.876 71 2HD ARG 11 2HD ARG 11 -5.832 -12.140 4.767 72 HE ARG 11 HE ARG 11 -8.255 -12.989 3.302 73 1HH1 ARG 11 1HH1 ARG 11 -6.556 -12.900 6.411 74 2HH1 ARG 11 2HH1 ARG 11 -7.991 -13.166 7.343 75 2HH2 ARG 11 2HH2 ARG 11 -10.091 -13.422 6.219 76 H GLU 12 H GLU 12 -4.123 -9.038 -0.736 77 HA GLU 12 HA GLU 12 -2.539 -11.418 -1.258 78 2HB GLU 12 2HB GLU 12 -2.922 -9.401 -3.420 79 2HG GLU 12 2HG GLU 12 -3.887 -11.897 -4.220 80 HE2 GLU 12 HE2 GLU 12 -0.947 -9.923 -3.833 81 H ALA 13 H ALA 13 -0.317 -11.323 -1.312 82 HA ALA 13 HA ALA 13 0.965 -8.769 -1.776 83 1HB ALA 13 1HB ALA 13 0.422 -9.558 0.844 84 2HB ALA 13 2HB ALA 13 2.101 -10.088 0.584 85 3HB ALA 13 3HB ALA 13 1.659 -8.382 0.336 86 H GLY 14 H GLY 14 3.248 -9.026 -2.316 87 1HA GLY 14 1HA GLY 14 4.327 -11.705 -2.476 88 2HA GLY 14 2HA GLY 14 3.879 -11.014 -4.022 89 H SER 15 H SER 15 5.209 -9.409 -1.054 90 HA SER 15 HA SER 15 7.666 -8.950 -2.501 91 2HB SER 15 2HB SER 15 7.288 -6.760 -2.893 92 HG SER 15 HG SER 15 4.770 -7.090 -1.496 93 H LYS 16 H LYS 16 9.117 -7.444 -0.798 94 HA LYS 16 HA LYS 16 9.424 -9.146 1.446 95 2HB LYS 16 2HB LYS 16 10.746 -6.469 0.945 96 2HG LYS 16 2HG LYS 16 12.030 -8.915 2.158 97 2HD LYS 16 2HD LYS 16 12.473 -6.292 3.399 98 2HE LYS 16 2HE LYS 16 13.892 -8.625 3.086 99 1HZ LYS 16 1HZ LYS 16 15.340 -6.736 1.352 100 2HZ LYS 16 2HZ LYS 16 15.545 -8.345 1.491 101 H SER 17 H SER 17 7.191 -6.715 0.765 102 HA SER 17 HA SER 17 7.045 -5.074 2.834 103 2HB SER 17 2HB SER 17 4.634 -5.010 2.517 104 HG SER 17 HG SER 17 5.504 -5.950 -0.044 105 H LYS 18 H LYS 18 6.626 -8.586 2.909 106 HA LYS 18 HA LYS 18 5.167 -8.938 5.197 107 2HB LYS 18 2HB LYS 18 6.332 -11.111 5.370 108 2HG LYS 18 2HG LYS 18 5.703 -10.248 2.507 109 2HD LYS 18 2HD LYS 18 5.732 -12.989 3.857 110 2HE LYS 18 2HE LYS 18 5.277 -12.754 0.925 111 1HZ LYS 18 1HZ LYS 18 4.830 -14.591 3.003 112 2HZ LYS 18 2HZ LYS 18 3.384 -14.271 2.327 113 H GLY 19 H GLY 19 8.361 -7.559 4.789 114 1HA GLY 19 1HA GLY 19 9.226 -8.029 7.494 115 2HA GLY 19 2HA GLY 19 9.988 -7.020 6.280 116 H CYS 20 H CYS 20 10.255 -5.584 8.286 117 HA CYS 20 HA CYS 20 7.796 -4.191 8.962 118 2HB CYS 20 2HB CYS 20 8.879 -3.384 10.875 119 HG CYS 20 HG CYS 20 8.270 -5.976 10.888 120 H ALA 21 H ALA 21 8.192 -1.653 9.208 121 HA ALA 21 HA ALA 21 8.742 -0.673 6.643 122 1HB ALA 21 1HB ALA 21 7.187 0.316 8.350 123 2HB ALA 21 2HB ALA 21 8.611 0.846 9.278 124 3HB ALA 21 3HB ALA 21 8.319 1.496 7.647 125 H LEU 22 H LEU 22 10.706 -1.082 9.594 126 HA LEU 22 HA LEU 22 12.856 0.504 8.525 127 2HB LEU 22 2HB LEU 22 13.941 -0.720 10.642 128 HG LEU 22 HG LEU 22 11.864 1.425 11.115 129 1HD1 LEU 22 1HD1 LEU 22 13.370 0.142 12.930 130 2HD1 LEU 22 2HD1 LEU 22 14.511 1.425 12.460 131 3HD1 LEU 22 3HD1 LEU 22 12.898 1.851 13.081 132 1HD2 LEU 22 1HD2 LEU 22 14.113 2.860 10.745 133 2HD2 LEU 22 2HD2 LEU 22 14.387 1.557 9.564 134 3HD2 LEU 22 3HD2 LEU 22 12.915 2.552 9.465 135 H CYS 23 H CYS 23 12.429 -2.988 9.454 136 HA CYS 23 HA CYS 23 13.941 -3.699 7.098 137 2HB CYS 23 2HB CYS 23 15.064 -5.290 9.173 138 HG CYS 23 HG CYS 23 17.276 -3.469 8.533 139 H GLY 24 H GLY 24 14.053 -6.330 7.166 140 1HA GLY 24 1HA GLY 24 11.310 -7.175 7.787 141 2HA GLY 24 2HA GLY 24 12.420 -7.932 6.662 142 H ALA 25 H ALA 25 10.964 -8.302 9.644 143 HA ALA 25 HA ALA 25 13.240 -9.817 10.719 144 1HB ALA 25 1HB ALA 25 11.042 -9.442 12.572 145 2HB ALA 25 2HB ALA 25 12.732 -8.900 12.707 146 3HB ALA 25 3HB ALA 25 11.533 -7.877 11.881 147 H THR 26 H THR 26 9.601 -9.864 10.597 148 HA THR 26 HA THR 26 9.813 -12.784 10.250 149 HB THR 26 HB THR 26 7.627 -11.142 11.635 150 HG1 THR 26 HG1 THR 26 9.942 -11.426 12.553 151 1HG2 THR 26 1HG2 THR 26 6.942 -13.423 10.688 152 2HG2 THR 26 2HG2 THR 26 8.212 -14.146 11.705 153 3HG2 THR 26 3HG2 THR 26 6.838 -13.304 12.461 154 H TRP 27 H TRP 27 7.944 -13.768 9.058 155 HA TRP 27 HA TRP 27 6.776 -11.902 7.137 156 2HB TRP 27 2HB TRP 27 9.004 -13.155 6.398 157 HD1 TRP 27 HD1 TRP 27 6.357 -14.901 4.284 158 HE1 TRP 27 HE1 TRP 27 6.669 -17.521 4.284 159 HE3 TRP 27 HE3 TRP 27 9.850 -15.011 7.977 160 HZ2 TRP 27 HZ2 TRP 27 8.305 -19.305 5.794 161 HZ3 TRP 27 HZ3 TRP 27 10.754 -17.233 8.655 162 HH2 TRP 27 HH2 TRP 27 10.036 -19.332 7.628 163 H GLY 28 H GLY 28 4.607 -12.324 6.946 164 1HA GLY 28 1HA GLY 28 3.587 -15.008 7.090 165 2HA GLY 28 2HA GLY 28 3.223 -14.062 8.520 166 H ASP 29 H ASP 29 1.496 -15.123 6.215 167 HA ASP 29 HA ASP 29 0.641 -12.678 4.980 168 2HB ASP 29 2HB ASP 29 -0.468 -14.030 3.465 169 HD2 ASP 29 HD2 ASP 29 0.517 -15.565 2.059 170 H TYR 30 H TYR 30 0.046 -14.554 7.823 171 HA TYR 30 HA TYR 30 -2.753 -13.967 8.065 172 2HB TYR 30 2HB TYR 30 -0.476 -15.033 9.835 173 HD1 TYR 30 HD1 TYR 30 -4.191 -14.533 9.768 174 HD2 TYR 30 HD2 TYR 30 -0.725 -15.373 12.131 175 HE1 TYR 30 HE1 TYR 30 -5.594 -14.404 11.885 176 HE2 TYR 30 HE2 TYR 30 -2.140 -15.241 14.240 177 HH TYR 30 HH TYR 30 -5.360 -14.028 14.176 178 H HIS 31 H HIS 31 -0.070 -12.001 8.184 179 HA HIS 31 HA HIS 31 -0.926 -10.531 10.532 180 2HB HIS 31 2HB HIS 31 1.098 -9.217 10.190 181 HD1 HIS 31 HD1 HIS 31 1.118 -12.954 9.293 182 HD2 HIS 31 HD2 HIS 31 2.971 -10.231 11.890 183 HE1 HIS 31 HE1 HIS 31 2.662 -14.329 10.788 184 H ALA 32 H ALA 32 -0.738 -7.951 10.091 185 HA ALA 32 HA ALA 32 -2.571 -7.484 7.846 186 1HB ALA 32 1HB ALA 32 -2.441 -6.611 10.648 187 2HB ALA 32 2HB ALA 32 -2.637 -5.255 9.511 188 3HB ALA 32 3HB ALA 32 -3.810 -6.594 9.510 189 H ASP 33 H ASP 33 -1.978 -6.119 6.203 190 HA ASP 33 HA ASP 33 0.680 -4.984 6.475 191 2HB ASP 33 2HB ASP 33 -0.257 -4.648 3.816 192 HD2 ASP 33 HD2 ASP 33 0.432 -7.628 3.515 193 H PHE 34 H PHE 34 1.015 -2.716 5.744 194 HA PHE 34 HA PHE 34 -1.487 -1.180 5.674 195 2HB PHE 34 2HB PHE 34 0.193 0.604 6.717 196 HD1 PHE 34 HD1 PHE 34 1.227 -0.981 9.343 197 HD2 PHE 34 HD2 PHE 34 -2.473 -0.550 7.311 198 HE1 PHE 34 HE1 PHE 34 -0.002 -1.428 11.486 199 HE2 PHE 34 HE2 PHE 34 -3.702 -0.997 9.453 200 HZ PHE 34 HZ PHE 34 -2.453 -1.431 11.515 201 H LEU 35 H LEU 35 -0.993 1.164 4.773 202 HA LEU 35 HA LEU 35 -0.305 0.916 2.131 203 2HB LEU 35 2HB LEU 35 -1.515 2.776 3.528 204 HG LEU 35 HG LEU 35 -0.397 4.777 3.889 205 1HD1 LEU 35 1HD1 LEU 35 0.478 2.514 5.242 206 2HD1 LEU 35 2HD1 LEU 35 1.978 3.380 4.833 207 3HD1 LEU 35 3HD1 LEU 35 0.693 4.207 5.745 208 1HD2 LEU 35 1HD2 LEU 35 1.035 4.215 1.652 209 2HD2 LEU 35 2HD2 LEU 35 1.375 5.569 2.757 210 3HD2 LEU 35 3HD2 LEU 35 2.290 4.050 2.905 211 H GLY 36 H GLY 36 1.748 1.082 4.953 212 1HA GLY 36 1HA GLY 36 4.080 2.020 3.526 213 2HA GLY 36 2HA GLY 36 3.984 1.468 5.186 214 H GLU 37 H GLU 37 2.418 -0.684 2.966 215 HA GLU 37 HA GLU 37 2.844 -2.817 2.618 216 2HB GLU 37 2HB GLU 37 3.749 -1.716 0.603 217 2HG GLU 37 2HG GLU 37 6.218 -1.532 2.339 218 HE2 GLU 37 HE2 GLU 37 8.072 -0.907 1.160 219 H ASP 38 H ASP 38 3.367 -2.518 5.239 220 HA ASP 38 HA ASP 38 5.752 -4.140 5.548 221 2HB ASP 38 2HB ASP 38 6.374 -2.899 7.596 222 HD2 ASP 38 HD2 ASP 38 7.333 -2.962 5.268 223 H LEU 39 H LEU 39 5.696 -5.085 7.971 224 HA LEU 39 HA LEU 39 2.885 -5.664 8.606 225 2HB LEU 39 2HB LEU 39 4.553 -7.690 9.637 226 HG LEU 39 HG LEU 39 2.365 -8.270 8.911 227 1HD1 LEU 39 1HD1 LEU 39 2.411 -8.148 6.089 228 2HD1 LEU 39 2HD1 LEU 39 1.397 -7.218 7.218 229 3HD1 LEU 39 3HD1 LEU 39 2.962 -6.563 6.681 230 1HD2 LEU 39 1HD2 LEU 39 3.358 -10.248 8.572 231 2HD2 LEU 39 2HD2 LEU 39 3.133 -9.886 6.844 232 3HD2 LEU 39 3HD2 LEU 39 4.690 -9.535 7.631 233 H PHE 40 H PHE 40 2.218 -4.783 10.481 234 HA PHE 40 HA PHE 40 4.292 -4.114 12.434 235 2HB PHE 40 2HB PHE 40 2.362 -2.571 11.250 236 HD1 PHE 40 HD1 PHE 40 1.161 -1.531 14.156 237 HD2 PHE 40 HD2 PHE 40 0.577 -4.816 11.533 238 HE1 PHE 40 HE1 PHE 40 -1.170 -1.823 15.039 239 HE2 PHE 40 HE2 PHE 40 -1.754 -5.107 12.417 240 HZ PHE 40 HZ PHE 40 -2.600 -3.607 14.160 241 H PHE 41 H PHE 41 2.875 -6.821 11.930 242 HA PHE 41 HA PHE 41 1.617 -7.059 14.570 243 2HB PHE 41 2HB PHE 41 1.408 -9.353 12.726 244 HD1 PHE 41 HD1 PHE 41 -1.206 -7.018 12.164 245 HD2 PHE 41 HD2 PHE 41 0.252 -9.832 14.986 246 HE1 PHE 41 HE1 PHE 41 -3.482 -7.145 13.214 247 HE2 PHE 41 HE2 PHE 41 -2.025 -9.959 16.036 248 HZ PHE 41 HZ PHE 41 -3.865 -8.614 15.137 249 H CYS 42 H CYS 42 4.570 -7.441 13.090 250 HA CYS 42 HA CYS 42 5.135 -10.004 14.340 251 2HB CYS 42 2HB CYS 42 6.049 -10.026 12.206 252 HG CYS 42 HG CYS 42 7.590 -7.172 12.672 253 H CYS 43 H CYS 43 6.440 -6.606 14.152 254 HA CYS 43 HA CYS 43 7.571 -7.044 16.816 255 2HB CYS 43 2HB CYS 43 9.372 -6.517 15.415 256 HG CYS 43 HG CYS 43 9.169 -3.956 14.036 257 H ASP 44 H ASP 44 5.965 -4.609 14.642 258 HA ASP 44 HA ASP 44 4.590 -2.980 15.033 259 2HB ASP 44 2HB ASP 44 3.385 -4.962 16.252 260 HD2 ASP 44 HD2 ASP 44 3.882 -5.461 19.591 261 H ILE 45 H ILE 45 7.415 -3.223 16.426 262 HA ILE 45 HA ILE 45 6.998 -1.218 18.521 263 HB ILE 45 HB ILE 45 8.837 -3.470 18.135 264 2HG1 ILE 45 2HG1 ILE 45 7.586 -1.968 20.424 265 1HG2 ILE 45 1HG2 ILE 45 10.638 -2.297 19.499 266 2HG2 ILE 45 2HG2 ILE 45 10.537 -1.882 17.771 267 3HG2 ILE 45 3HG2 ILE 45 9.877 -0.769 18.994 268 1HD1 ILE 45 1HD1 ILE 45 6.222 -3.721 19.450 269 2HD1 ILE 45 2HD1 ILE 45 7.601 -4.844 19.411 270 3HD1 ILE 45 3HD1 ILE 45 6.896 -4.357 20.970 271 H CYS 46 H CYS 46 9.400 -2.025 15.908 272 HA CYS 46 HA CYS 46 9.983 0.803 15.710 273 2HB CYS 46 2HB CYS 46 11.793 -0.970 15.769 274 HG CYS 46 HG CYS 46 10.852 -2.927 14.490 275 H ALA 47 H ALA 47 7.820 -1.517 14.440 276 HA ALA 47 HA ALA 47 7.676 -0.190 11.836 277 1HB ALA 47 1HB ALA 47 6.808 -2.157 11.024 278 2HB ALA 47 2HB ALA 47 7.722 -2.820 12.401 279 3HB ALA 47 3HB ALA 47 5.969 -2.542 12.546 280 H ALA 48 H ALA 48 5.374 0.219 11.013 281 HA ALA 48 HA ALA 48 3.312 1.036 11.255 282 1HB ALA 48 1HB ALA 48 3.006 1.072 14.148 283 2HB ALA 48 2HB ALA 48 2.090 0.158 12.926 284 3HB ALA 48 3HB ALA 48 3.597 -0.513 13.593 285 H GLU 49 H GLU 49 4.975 2.848 10.622 286 HA GLU 49 HA GLU 49 5.380 4.750 12.721 287 2HB GLU 49 2HB GLU 49 5.936 5.128 9.753 288 2HG GLU 49 2HG GLU 49 6.178 6.921 11.806 289 HE2 GLU 49 HE2 GLU 49 8.470 4.240 12.457 290 H PHE 50 H PHE 50 4.225 6.652 13.063 291 HA PHE 50 HA PHE 50 1.673 6.805 11.796 292 2HB PHE 50 2HB PHE 50 2.280 9.170 13.291 293 HD1 PHE 50 HD1 PHE 50 -0.201 7.968 12.536 294 HD2 PHE 50 HD2 PHE 50 2.134 7.241 16.004 295 HE1 PHE 50 HE1 PHE 50 -2.260 7.230 13.768 296 HE2 PHE 50 HE2 PHE 50 0.075 6.503 17.236 297 HZ PHE 50 HZ PHE 50 -2.097 6.507 16.103 298 H MET 51 H MET 51 4.675 7.626 10.665 299 HA MET 51 HA MET 51 4.504 10.243 9.913 300 2HB MET 51 2HB MET 51 6.495 8.716 9.645 301 2HG MET 51 2HG MET 51 4.914 7.631 7.261 302 1HE MET 51 1HE MET 51 6.647 7.002 5.106 303 2HE MET 51 2HE MET 51 6.502 8.629 5.812 304 3HE MET 51 3HE MET 51 8.108 7.968 5.422 305 H ASN 52 H ASN 52 2.677 7.476 8.765 306 HA ASN 52 HA ASN 52 1.945 8.837 6.339 307 2HB ASN 52 2HB ASN 52 0.298 6.572 6.596 308 1HD2 ASN 52 1HD2 ASN 52 3.268 5.196 6.255 309 2HD2 ASN 52 2HD2 ASN 52 3.546 5.409 4.559 310 H MET 53 H MET 53 -0.730 8.286 5.983 311 HA MET 53 HA MET 53 -1.922 9.941 7.995 312 2HB MET 53 2HB MET 53 -3.965 9.313 6.273 313 2HG MET 53 2HG MET 53 -2.527 11.548 6.709 314 1HE MET 53 1HE MET 53 -0.432 12.319 6.581 315 2HE MET 53 2HE MET 53 0.291 10.709 6.357 316 3HE MET 53 3HE MET 53 0.801 12.065 5.323 317 H MET 54 H MET 54 -4.250 9.330 8.753 318 HA MET 54 HA MET 54 -4.035 6.947 10.173 319 2HB MET 54 2HB MET 54 -6.626 8.464 9.577 320 2HG MET 54 2HG MET 54 -6.378 7.937 12.327 321 1HE MET 54 1HE MET 54 -9.862 8.250 11.397 322 2HE MET 54 2HE MET 54 -8.305 9.102 11.533 323 3HE MET 54 3HE MET 54 -8.959 8.690 9.929 324 H ASP 55 H ASP 55 -6.040 7.891 7.303 325 HA ASP 55 HA ASP 55 -7.552 5.697 7.045 326 2HB ASP 55 2HB ASP 55 -7.733 6.236 4.703 327 HD2 ASP 55 HD2 ASP 55 -7.922 8.607 7.303 328 H GLU 56 H GLU 56 -4.085 6.173 6.194 329 HA GLU 56 HA GLU 56 -3.580 4.061 4.629 330 2HB GLU 56 2HB GLU 56 -1.283 4.127 5.480 331 2HG GLU 56 2HG GLU 56 -0.821 6.358 4.965 332 HE2 GLU 56 HE2 GLU 56 -1.448 5.863 2.647 333 H ALA 57 H ALA 57 -3.590 4.030 8.265 334 HA ALA 57 HA ALA 57 -3.103 1.268 8.459 335 1HB ALA 57 1HB ALA 57 -4.528 3.058 10.461 336 2HB ALA 57 2HB ALA 57 -3.581 1.589 10.793 337 3HB ALA 57 3HB ALA 57 -2.765 3.064 10.224 338 H PHE 58 H PHE 58 -6.049 3.260 8.081 339 HA PHE 58 HA PHE 58 -7.897 1.297 8.784 340 2HB PHE 58 2HB PHE 58 -8.224 3.389 6.573 341 HD1 PHE 58 HD1 PHE 58 -10.308 4.982 7.556 342 HD2 PHE 58 HD2 PHE 58 -9.729 0.826 8.183 343 HE1 PHE 58 HE1 PHE 58 -12.771 4.699 7.947 344 HE2 PHE 58 HE2 PHE 58 -12.193 0.542 8.574 345 HZ PHE 58 HZ PHE 58 -13.684 2.482 8.452 346 H LYS 59 H LYS 59 -6.139 1.981 5.737 347 HA LYS 59 HA LYS 59 -7.631 0.625 3.926 348 2HB LYS 59 2HB LYS 59 -4.668 1.021 4.252 349 2HG LYS 59 2HG LYS 59 -5.102 -1.194 3.066 350 2HD LYS 59 2HD LYS 59 -6.308 0.604 0.915 351 2HE LYS 59 2HE LYS 59 -6.039 -2.426 1.214 352 1HZ LYS 59 1HZ LYS 59 -7.870 -0.865 -0.287 353 2HZ LYS 59 2HZ LYS 59 -6.900 -1.674 -1.312 354 H HIS 60 H HIS 60 -5.488 -0.707 6.473 355 HA HIS 60 HA HIS 60 -5.474 -3.328 5.573 356 2HB HIS 60 2HB HIS 60 -4.779 -1.858 8.001 357 HD1 HIS 60 HD1 HIS 60 -5.924 -2.376 10.177 358 HD2 HIS 60 HD2 HIS 60 -5.178 -5.822 7.905 359 HE1 HIS 60 HE1 HIS 60 -6.578 -4.358 11.647 360 H THR 61 H THR 61 -7.652 -1.698 7.981 361 HA THR 61 HA THR 61 -9.290 -3.947 8.369 362 HB THR 61 HB THR 61 -10.182 -1.048 8.634 363 HG1 THR 61 HG1 THR 61 -7.986 -2.529 9.719 364 1HG2 THR 61 1HG2 THR 61 -11.042 -1.914 10.820 365 2HG2 THR 61 2HG2 THR 61 -11.730 -2.829 9.457 366 3HG2 THR 61 3HG2 THR 61 -10.407 -3.529 10.421 367 H ALA 62 H ALA 62 -9.281 -1.366 5.907 368 HA ALA 62 HA ALA 62 -11.861 -1.864 4.932 369 1HB ALA 62 1HB ALA 62 -9.351 -0.727 3.638 370 2HB ALA 62 2HB ALA 62 -10.970 -0.679 2.902 371 3HB ALA 62 3HB ALA 62 -10.661 0.184 4.427 372 H ARG 63 H ARG 63 -8.601 -3.000 3.789 373 HA ARG 63 HA ARG 63 -9.830 -4.763 1.953 374 2HB ARG 63 2HB ARG 63 -7.564 -3.703 1.608 375 2HG ARG 63 2HG ARG 63 -6.963 -4.301 4.143 376 2HD ARG 63 2HD ARG 63 -6.671 -6.858 2.711 377 HE ARG 63 HE ARG 63 -4.218 -5.719 3.009 378 1HH1 ARG 63 1HH1 ARG 63 -5.822 -8.259 4.888 379 2HH1 ARG 63 2HH1 ARG 63 -4.340 -9.031 5.341 380 2HH2 ARG 63 2HH2 ARG 63 -2.259 -8.122 4.577 381 H HIS 64 H HIS 64 -10.003 -4.888 5.159 382 HA HIS 64 HA HIS 64 -8.938 -7.488 5.682 383 2HB HIS 64 2HB HIS 64 -10.837 -5.843 7.371 384 HD1 HIS 64 HD1 HIS 64 -8.484 -8.797 7.208 385 HD2 HIS 64 HD2 HIS 64 -10.804 -6.744 10.037 386 HE1 HIS 64 HE1 HIS 64 -8.511 -10.254 9.302 387 H ASN 65 H ASN 65 -12.268 -6.044 5.474 388 HA ASN 65 HA ASN 65 -13.199 -8.759 4.962 389 2HB ASN 65 2HB ASN 65 -14.430 -8.098 6.851 390 1HD2 ASN 65 1HD2 ASN 65 -15.636 -6.470 8.064 391 2HD2 ASN 65 2HD2 ASN 65 -15.099 -4.824 8.057 392 H VAL 66 H VAL 66 -13.841 -5.234 4.276 393 HA VAL 66 HA VAL 66 -15.075 -5.988 1.746 394 HB VAL 66 HB VAL 66 -15.838 -3.692 1.684 395 1HG1 VAL 66 1HG1 VAL 66 -16.964 -5.523 3.120 396 2HG1 VAL 66 2HG1 VAL 66 -16.325 -4.621 4.515 397 3HG1 VAL 66 3HG1 VAL 66 -17.446 -3.830 3.383 398 1HG2 VAL 66 1HG2 VAL 66 -15.030 -1.985 2.925 399 2HG2 VAL 66 2HG2 VAL 66 -14.882 -2.981 4.392 400 3HG2 VAL 66 3HG2 VAL 66 -13.622 -3.052 3.138 401 H ASP 67 H ASP 67 -14.444 -3.498 0.386 402 HA ASP 67 HA ASP 67 -11.558 -3.743 0.141 403 2HB ASP 67 2HB ASP 67 -12.807 -5.044 -1.666 404 HD2 ASP 67 HD2 ASP 67 -12.523 -2.312 -3.587 405 H GLU 68 H GLU 68 -10.575 -1.692 0.024 406 HA GLU 68 HA GLU 68 -12.185 0.512 -0.910 407 2HB GLU 68 2HB GLU 68 -10.689 0.858 1.699 408 2HG GLU 68 2HG GLU 68 -13.024 2.348 1.744 409 HE2 GLU 68 HE2 GLU 68 -11.132 3.761 -0.551 410 H LEU 69 H LEU 69 -10.944 2.162 -1.887 411 HA LEU 69 HA LEU 69 -8.042 1.872 -1.675 412 2HB LEU 69 2HB LEU 69 -8.374 0.679 -3.623 413 HG LEU 69 HG LEU 69 -9.738 1.354 -5.532 414 1HD1 LEU 69 1HD1 LEU 69 -11.530 0.232 -4.787 415 2HD1 LEU 69 2HD1 LEU 69 -10.609 0.097 -3.271 416 3HD1 LEU 69 3HD1 LEU 69 -11.828 1.379 -3.460 417 1HD2 LEU 69 1HD2 LEU 69 -11.254 3.370 -3.943 418 2HD2 LEU 69 2HD2 LEU 69 -9.689 3.856 -4.636 419 3HD2 LEU 69 3HD2 LEU 69 -10.984 3.252 -5.698 420 H HIS 70 H HIS 70 -7.013 3.798 -1.388 421 HA HIS 70 HA HIS 70 -8.359 6.198 -2.290 422 2HB HIS 70 2HB HIS 70 -7.355 6.224 0.527 423 HD1 HIS 70 HD1 HIS 70 -7.130 8.825 -0.084 424 HD2 HIS 70 HD2 HIS 70 -11.012 7.244 -0.247 425 HE1 HIS 70 HE1 HIS 70 -8.716 10.824 -0.106 426 H ILE 71 H ILE 71 -6.913 7.851 -2.847 427 HA ILE 71 HA ILE 71 -4.104 7.359 -2.206 428 HB ILE 71 HB ILE 71 -5.194 7.907 -4.969 429 2HG1 ILE 71 2HG1 ILE 71 -5.519 5.583 -4.241 430 1HG2 ILE 71 1HG2 ILE 71 -3.216 9.050 -5.049 431 2HG2 ILE 71 2HG2 ILE 71 -2.445 8.039 -3.804 432 3HG2 ILE 71 3HG2 ILE 71 -2.646 7.415 -5.458 433 1HD1 ILE 71 1HD1 ILE 71 -4.022 6.480 -6.527 434 2HD1 ILE 71 2HD1 ILE 71 -3.314 4.943 -5.974 435 3HD1 ILE 71 3HD1 ILE 71 -5.045 5.030 -6.381 436 H ASP 72 H ASP 72 -3.058 9.174 -1.527 437 HA ASP 72 HA ASP 72 -4.185 11.713 -2.319 438 2HB ASP 72 2HB ASP 72 -3.574 12.245 0.309 439 HD2 ASP 72 HD2 ASP 72 -5.767 13.817 0.114 440 H GLY 73 H GLY 73 -2.531 13.342 -2.458 441 1HA GLY 73 1HA GLY 73 0.153 12.575 -1.496 442 2HA GLY 73 2HA GLY 73 -0.098 13.084 -3.153 443 H ASN 74 H ASN 74 1.153 14.216 -0.402 444 HA ASN 74 HA ASN 74 0.368 16.915 -1.065 445 2HB ASN 74 2HB ASN 74 0.669 16.869 1.781 446 1HD2 ASN 74 1HD2 ASN 74 -0.205 18.785 1.977 447 2HD2 ASN 74 2HD2 ASN 74 -1.746 19.300 1.376 448 H TYR 75 H TYR 75 2.141 18.390 -0.757 449 HA TYR 75 HA TYR 75 4.706 17.291 -0.689 450 2HB TYR 75 2HB TYR 75 5.087 19.921 -0.129 451 HD1 TYR 75 HD1 TYR 75 6.315 20.660 -1.942 452 HD2 TYR 75 HD2 TYR 75 2.702 18.485 -2.660 453 HE1 TYR 75 HE1 TYR 75 6.697 20.839 -4.449 454 HE2 TYR 75 HE2 TYR 75 3.095 18.671 -5.164 455 HH TYR 75 HH TYR 75 5.145 18.947 -6.647 456 H GLN 76 H GLN 76 2.477 17.916 1.873 457 HA GLN 76 HA GLN 76 4.634 18.261 3.774 458 2HB GLN 76 2HB GLN 76 2.754 18.661 5.409 459 2HG GLN 76 2HG GLN 76 1.806 20.722 3.986 460 1HE2 GLN 76 1HE2 GLN 76 3.837 22.439 3.445 461 2HE2 GLN 76 2HE2 GLN 76 4.870 22.649 4.820 462 H LEU 77 H LEU 77 2.705 15.813 2.327 463 HA LEU 77 HA LEU 77 2.097 14.073 4.317 464 2HB LEU 77 2HB LEU 77 3.306 13.250 1.681 465 HG LEU 77 HG LEU 77 1.063 12.058 3.335 466 1HD1 LEU 77 1HD1 LEU 77 0.902 12.115 0.720 467 2HD1 LEU 77 2HD1 LEU 77 2.111 10.812 0.819 468 3HD1 LEU 77 3HD1 LEU 77 0.531 10.624 1.618 469 1HD2 LEU 77 1HD2 LEU 77 2.763 11.022 4.360 470 2HD2 LEU 77 2HD2 LEU 77 2.873 10.058 2.869 471 3HD2 LEU 77 3HD2 LEU 77 3.933 11.470 3.096 472 H GLY 78 H GLY 78 5.307 14.578 2.736 473 1HA GLY 78 1HA GLY 78 7.069 14.441 4.591 474 2HA GLY 78 2HA GLY 78 6.502 12.791 4.753 475 H ARG 79 H ARG 79 5.929 13.241 1.576 476 HA ARG 79 HA ARG 79 7.028 13.022 -0.303 477 2HB ARG 79 2HB ARG 79 9.453 13.222 -0.504 478 2HG ARG 79 2HG ARG 79 9.756 15.114 1.469 479 2HD ARG 79 2HD ARG 79 7.962 15.593 -0.947 480 HE ARG 79 HE ARG 79 9.446 17.314 0.850 481 1HH1 ARG 79 1HH1 ARG 79 8.500 16.969 -2.547 482 2HH1 ARG 79 2HH1 ARG 79 8.603 18.666 -2.877 483 2HH2 ARG 79 2HH2 ARG 79 9.241 20.167 -1.121 484 H ASN 80 H ASN 80 5.789 10.876 0.744 485 HA ASN 80 HA ASN 80 7.760 8.733 0.591 486 2HB ASN 80 2HB ASN 80 5.089 8.969 2.040 487 1HD2 ASN 80 1HD2 ASN 80 3.792 7.314 2.078 488 2HD2 ASN 80 2HD2 ASN 80 4.186 5.655 1.777 489 H VAL 81 H VAL 81 7.621 7.548 -1.321 490 HA VAL 81 HA VAL 81 5.033 7.591 -2.715 491 HB VAL 81 HB VAL 81 7.727 8.227 -3.553 492 1HG1 VAL 81 1HG1 VAL 81 7.481 7.014 -5.802 493 2HG1 VAL 81 2HG1 VAL 81 8.020 6.049 -4.406 494 3HG1 VAL 81 3HG1 VAL 81 6.333 5.944 -4.962 495 1HG2 VAL 81 1HG2 VAL 81 6.077 8.668 -5.704 496 2HG2 VAL 81 2HG2 VAL 81 4.932 8.717 -4.342 497 3HG2 VAL 81 3HG2 VAL 81 6.340 9.805 -4.361 498 H LEU 82 H LEU 82 3.997 5.690 -2.382 499 HA LEU 82 HA LEU 82 5.649 3.268 -2.545 500 2HB LEU 82 2HB LEU 82 4.151 2.240 -0.891 501 HG LEU 82 HG LEU 82 5.240 4.800 0.296 502 1HD1 LEU 82 1HD1 LEU 82 5.684 3.151 2.225 503 2HD1 LEU 82 2HD1 LEU 82 4.013 3.696 1.942 504 3HD1 LEU 82 3HD1 LEU 82 4.528 2.085 1.389 505 1HD2 LEU 82 1HD2 LEU 82 7.217 2.966 0.700 506 2HD2 LEU 82 2HD2 LEU 82 6.675 2.545 -0.942 507 3HD2 LEU 82 3HD2 LEU 82 7.216 4.202 -0.582 508 H LEU 83 H LEU 83 5.117 2.042 -4.264 509 HA LEU 83 HA LEU 83 2.376 2.340 -5.282 510 2HB LEU 83 2HB LEU 83 4.973 1.874 -6.746 511 HG LEU 83 HG LEU 83 2.174 1.459 -7.651 512 1HD1 LEU 83 1HD1 LEU 83 3.322 2.176 -10.024 513 2HD1 LEU 83 2HD1 LEU 83 2.204 3.187 -9.077 514 3HD1 LEU 83 3HD1 LEU 83 3.961 3.420 -8.923 515 1HD2 LEU 83 1HD2 LEU 83 3.123 -0.189 -9.038 516 2HD2 LEU 83 2HD2 LEU 83 4.751 0.521 -8.916 517 3HD2 LEU 83 3HD2 LEU 83 4.025 -0.286 -7.506 518 H LYS 84 H LYS 84 1.174 0.622 -4.675 519 HA LYS 84 HA LYS 84 2.475 -2.004 -4.868 520 2HB LYS 84 2HB LYS 84 0.466 -1.157 -2.760 521 2HG LYS 84 2HG LYS 84 0.561 -3.622 -3.526 522 2HD LYS 84 2HD LYS 84 3.203 -3.575 -2.008 523 2HE LYS 84 2HE LYS 84 3.412 -5.854 -3.062 524 1HZ LYS 84 1HZ LYS 84 2.463 -6.526 -1.159 525 2HZ LYS 84 2HZ LYS 84 1.671 -5.114 -0.986 526 H ASN 85 H ASN 85 1.557 -3.250 -6.401 527 HA ASN 85 HA ASN 85 -1.199 -2.593 -7.081 528 2HB ASN 85 2HB ASN 85 0.161 -2.191 -9.024 529 1HD2 ASN 85 1HD2 ASN 85 2.323 -2.111 -8.194 530 2HD2 ASN 85 2HD2 ASN 85 3.459 -3.368 -8.550 531 H GLY 86 H GLY 86 -2.650 -4.209 -6.483 532 1HA GLY 86 1HA GLY 86 -1.578 -6.946 -6.148 533 2HA GLY 86 2HA GLY 86 -2.854 -6.242 -5.177 534 H GLU 87 H GLU 87 -2.274 -8.363 -7.680 535 HA GLU 87 HA GLU 87 -4.916 -7.834 -8.800 536 2HB GLU 87 2HB GLU 87 -4.097 -8.849 -10.926 537 2HG GLU 87 2HG GLU 87 -2.660 -6.456 -9.739 538 HE2 GLU 87 HE2 GLU 87 -0.808 -6.059 -10.568 539 H ASP 88 H ASP 88 -6.354 -9.351 -8.103 540 HA ASP 88 HA ASP 88 -5.499 -12.098 -8.178 541 2HB ASP 88 2HB ASP 88 -5.051 -11.750 -5.879 542 HD2 ASP 88 HD2 ASP 88 -8.080 -10.225 -4.216 543 H ARG 89 H ARG 89 -7.300 -13.481 -8.675 544 HA ARG 89 HA ARG 89 -9.909 -12.237 -8.557 545 2HB ARG 89 2HB ARG 89 -9.993 -12.023 -10.822 546 2HG ARG 89 2HG ARG 89 -7.433 -12.045 -10.707 547 2HD ARG 89 2HD ARG 89 -7.992 -14.943 -10.826 548 HE ARG 89 HE ARG 89 -6.994 -15.310 -12.893 549 1HH1 ARG 89 1HH1 ARG 89 -5.630 -12.333 -11.540 550 2HH1 ARG 89 2HH1 ARG 89 -4.553 -12.074 -12.872 551 2HH2 ARG 89 2HH2 ARG 89 -4.538 -13.636 -14.690 552 H LEU 90 H LEU 90 -11.294 -13.634 -7.509 553 HA LEU 90 HA LEU 90 -10.835 -16.501 -7.887 554 2HB LEU 90 2HB LEU 90 -11.473 -16.738 -5.437 555 HG LEU 90 HG LEU 90 -9.289 -16.552 -4.574 556 1HD1 LEU 90 1HD1 LEU 90 -8.231 -17.981 -5.959 557 2HD1 LEU 90 2HD1 LEU 90 -9.769 -17.927 -6.853 558 3HD1 LEU 90 3HD1 LEU 90 -8.401 -16.915 -7.374 559 1HD2 LEU 90 1HD2 LEU 90 -8.205 -14.868 -6.784 560 2HD2 LEU 90 2HD2 LEU 90 -9.169 -14.071 -5.517 561 3HD2 LEU 90 3HD2 LEU 90 -7.709 -14.991 -5.078 562 H ARG 91 H ARG 91 -12.862 -17.756 -7.028 563 HA ARG 91 HA ARG 91 -15.019 -16.724 -8.472 564 2HB ARG 91 2HB ARG 91 -16.207 -18.759 -7.711 565 2HG ARG 91 2HG ARG 91 -13.409 -18.839 -8.699 566 2HD ARG 91 2HD ARG 91 -14.574 -21.084 -7.064 567 HE ARG 91 HE ARG 91 -12.752 -22.169 -8.972 568 1HH1 ARG 91 1HH1 ARG 91 -16.102 -21.025 -8.827 569 2HH1 ARG 91 2HH1 ARG 91 -16.640 -22.054 -10.112 570 2HH2 ARG 91 2HH2 ARG 91 -15.070 -23.517 -11.180 571 H PHE 92 H PHE 92 -13.947 -16.482 -5.132 572 HA PHE 92 HA PHE 92 -16.490 -15.954 -3.995 573 2HB PHE 92 2HB PHE 92 -13.655 -15.128 -3.128 574 HD1 PHE 92 HD1 PHE 92 -14.624 -13.221 -1.879 575 HD2 PHE 92 HD2 PHE 92 -15.830 -17.217 -1.117 576 HE1 PHE 92 HE1 PHE 92 -15.615 -12.504 0.312 577 HE2 PHE 92 HE2 PHE 92 -16.821 -16.499 1.075 578 HZ PHE 92 HZ PHE 92 -16.701 -14.152 1.764 579 H TYR 93 H TYR 93 -14.239 -14.106 -5.920 580 HA TYR 93 HA TYR 93 -15.596 -11.630 -5.090 581 2HB TYR 93 2HB TYR 93 -13.436 -10.641 -6.134 582 HD1 TYR 93 HD1 TYR 93 -12.362 -13.715 -4.356 583 HD2 TYR 93 HD2 TYR 93 -13.293 -9.554 -4.003 584 HE1 TYR 93 HE1 TYR 93 -11.373 -13.684 -2.014 585 HE2 TYR 93 HE2 TYR 93 -12.299 -9.538 -1.662 586 HH TYR 93 HH TYR 93 -11.992 -11.731 0.178 587 H VAL 94 H VAL 94 -16.423 -10.237 -6.693 588 HA VAL 94 HA VAL 94 -16.689 -11.525 -9.311 589 HB VAL 94 HB VAL 94 -18.612 -9.927 -9.543 590 1HG1 VAL 94 1HG1 VAL 94 -19.115 -12.195 -9.037 591 2HG1 VAL 94 2HG1 VAL 94 -18.598 -12.011 -7.344 592 3HG1 VAL 94 3HG1 VAL 94 -20.082 -11.209 -7.914 593 1HG2 VAL 94 1HG2 VAL 94 -19.498 -8.799 -7.612 594 2HG2 VAL 94 2HG2 VAL 94 -18.254 -9.512 -6.558 595 3HG2 VAL 94 3HG2 VAL 94 -17.794 -8.318 -7.797 596 H LYS 95 H LYS 95 -15.612 -8.603 -7.568 597 HA LYS 95 HA LYS 95 -15.027 -7.265 -10.070 598 2HB LYS 95 2HB LYS 95 -13.987 -5.817 -7.873 599 2HG LYS 95 2HG LYS 95 -15.315 -5.152 -10.051 600 2HD LYS 95 2HD LYS 95 -17.374 -6.478 -9.338 601 2HE LYS 95 2HE LYS 95 -17.728 -6.112 -7.050 602 1HZ LYS 95 1HZ LYS 95 -16.158 -4.343 -6.702 603 2HZ LYS 95 2HZ LYS 95 -17.039 -3.268 -7.551 604 H PHE 96 H PHE 96 -13.492 -9.284 -7.629 605 HA PHE 96 HA PHE 96 -11.362 -9.822 -7.253 606 2HB PHE 96 2HB PHE 96 -11.815 -11.238 -9.171 607 HD1 PHE 96 HD1 PHE 96 -13.837 -10.473 -10.354 608 HD2 PHE 96 HD2 PHE 96 -9.999 -8.947 -11.330 609 HE1 PHE 96 HE1 PHE 96 -14.739 -9.591 -12.524 610 HE2 PHE 96 HE2 PHE 96 -10.902 -8.066 -13.499 611 HZ PHE 96 HZ PHE 96 -13.261 -8.398 -14.070 612 H GLY 97 H GLY 97 -11.184 -7.326 -6.619 613 1HA GLY 97 1HA GLY 97 -9.734 -5.613 -6.437 614 2HA GLY 97 2HA GLY 97 -8.623 -6.476 -7.482 615 HA PRO 98 HA PRO 98 -10.505 -2.917 -9.749 616 2HB PRO 98 2HB PRO 98 -9.767 -1.068 -8.593 617 2HG PRO 98 2HG PRO 98 -8.214 -1.517 -6.948 618 2HD PRO 98 2HD PRO 98 -8.710 -3.719 -6.509 619 H GLY 99 H GLY 99 -7.202 -4.095 -9.849 620 1HA GLY 99 1HA GLY 99 -6.832 -5.468 -11.899 621 2HA GLY 99 2HA GLY 99 -7.428 -4.088 -12.800 622 H ALA 100 H ALA 100 -6.196 -2.045 -12.762 623 HA ALA 100 HA ALA 100 -3.387 -2.499 -12.019 624 1HB ALA 100 1HB ALA 100 -4.449 -2.156 -14.574 625 2HB ALA 100 2HB ALA 100 -3.869 -0.529 -14.140 626 3HB ALA 100 3HB ALA 100 -2.749 -1.912 -14.102 627 H VAL 101 H VAL 101 -2.225 -0.205 -11.900 628 HA VAL 101 HA VAL 101 -3.412 1.139 -9.759 629 HB VAL 101 HB VAL 101 -1.177 1.916 -11.641 630 1HG1 VAL 101 1HG1 VAL 101 -2.494 3.609 -9.891 631 2HG1 VAL 101 2HG1 VAL 101 -1.106 3.038 -8.934 632 3HG1 VAL 101 3HG1 VAL 101 -0.839 3.824 -10.508 633 1HG2 VAL 101 1HG2 VAL 101 0.312 0.880 -10.185 634 2HG2 VAL 101 2HG2 VAL 101 -0.837 0.905 -8.825 635 3HG2 VAL 101 3HG2 VAL 101 -1.075 -0.237 -10.170 636 H ILE 102 H ILE 102 -3.118 1.972 -13.273 637 HA ILE 102 HA ILE 102 -4.214 4.452 -13.248 638 HB ILE 102 HB ILE 102 -4.767 4.109 -15.529 639 2HG1 ILE 102 2HG1 ILE 102 -6.052 1.962 -15.109 640 1HG2 ILE 102 1HG2 ILE 102 -2.584 2.315 -15.835 641 2HG2 ILE 102 2HG2 ILE 102 -2.597 4.090 -15.972 642 3HG2 ILE 102 3HG2 ILE 102 -2.263 3.321 -14.402 643 1HD1 ILE 102 1HD1 ILE 102 -5.871 1.295 -17.368 644 2HD1 ILE 102 2HD1 ILE 102 -5.303 2.982 -17.410 645 3HD1 ILE 102 3HD1 ILE 102 -4.127 1.647 -17.429 646 H LYS 103 H LYS 103 -5.842 1.305 -12.814 647 HA LYS 103 HA LYS 103 -8.459 2.278 -13.134 648 2HB LYS 103 2HB LYS 103 -9.127 0.165 -12.116 649 2HG LYS 103 2HG LYS 103 -8.014 -1.357 -13.665 650 2HD LYS 103 2HD LYS 103 -8.025 1.431 -14.912 651 2HE LYS 103 2HE LYS 103 -8.141 -1.399 -15.989 652 1HZ LYS 103 1HZ LYS 103 -9.348 1.019 -17.212 653 2HZ LYS 103 2HZ LYS 103 -8.959 -0.303 -18.081 654 H GLU 104 H GLU 104 -6.469 1.616 -10.166 655 HA GLU 104 HA GLU 104 -8.236 2.357 -8.300 656 2HB GLU 104 2HB GLU 104 -6.109 3.268 -7.053 657 2HG GLU 104 2HG GLU 104 -7.091 0.660 -7.610 658 HE2 GLU 104 HE2 GLU 104 -3.791 0.754 -6.592 659 H PHE 105 H PHE 105 -6.409 4.476 -10.522 660 HA PHE 105 HA PHE 105 -6.618 6.893 -9.324 661 2HB PHE 105 2HB PHE 105 -7.439 6.617 -12.227 662 HD1 PHE 105 HD1 PHE 105 -7.421 9.051 -10.566 663 HD2 PHE 105 HD2 PHE 105 -4.281 7.206 -12.744 664 HE1 PHE 105 HE1 PHE 105 -6.264 11.270 -10.780 665 HE2 PHE 105 HE2 PHE 105 -3.125 9.423 -12.958 666 HZ PHE 105 HZ PHE 105 -4.131 11.429 -11.973 667 H LYS 106 H LYS 106 -9.197 5.045 -11.015 668 HA LYS 106 HA LYS 106 -11.100 6.879 -11.423 669 2HB LYS 106 2HB LYS 106 -10.988 4.139 -11.357 670 2HG LYS 106 2HG LYS 106 -13.293 3.803 -10.032 671 2HD LYS 106 2HD LYS 106 -10.967 3.931 -8.157 672 2HE LYS 106 2HE LYS 106 -13.337 2.478 -8.327 673 1HZ LYS 106 1HZ LYS 106 -12.782 0.857 -9.830 674 2HZ LYS 106 2HZ LYS 106 -11.174 0.987 -9.605 675 H ILE 107 H ILE 107 -9.859 5.775 -8.285 676 HA ILE 107 HA ILE 107 -11.811 6.456 -6.563 677 HB ILE 107 HB ILE 107 -9.449 5.574 -6.168 678 2HG1 ILE 107 2HG1 ILE 107 -9.563 6.092 -3.857 679 1HG2 ILE 107 1HG2 ILE 107 -8.121 7.713 -5.162 680 2HG2 ILE 107 2HG2 ILE 107 -7.848 7.030 -6.783 681 3HG2 ILE 107 3HG2 ILE 107 -8.905 8.448 -6.581 682 1HD1 ILE 107 1HD1 ILE 107 -10.298 8.073 -2.939 683 2HD1 ILE 107 2HD1 ILE 107 -9.876 8.703 -4.550 684 3HD1 ILE 107 3HD1 ILE 107 -11.565 8.292 -4.169 685 H THR 108 H THR 108 -9.963 8.607 -8.673 686 HA THR 108 HA THR 108 -11.633 10.816 -7.715 687 HB THR 108 HB THR 108 -8.624 10.584 -7.702 688 HG1 THR 108 HG1 THR 108 -10.501 10.767 -5.943 689 1HG2 THR 108 1HG2 THR 108 -9.287 12.496 -9.339 690 2HG2 THR 108 2HG2 THR 108 -10.061 13.267 -7.935 691 3HG2 THR 108 3HG2 THR 108 -8.307 12.964 -7.929 692 H ASP 109 H ASP 109 -9.144 9.882 -10.188 693 HA ASP 109 HA ASP 109 -9.810 11.636 -12.090 694 2HB ASP 109 2HB ASP 109 -8.863 8.778 -12.133 695 HD2 ASP 109 HD2 ASP 109 -8.343 7.834 -14.527 Start of MODEL 3 1 1H MET 1 1H MET 1 9.093 13.943 -5.700 2 HA MET 1 HA MET 1 6.607 15.200 -4.990 3 2HB MET 1 2HB MET 1 5.593 13.502 -6.852 4 2HG MET 1 2HG MET 1 6.378 15.708 -8.457 5 1HE MET 1 1HE MET 1 3.067 14.534 -9.419 6 2HE MET 1 2HE MET 1 4.809 14.166 -9.393 7 3HE MET 1 3HE MET 1 3.706 13.326 -8.276 8 H SER 2 H SER 2 5.053 13.679 -4.045 9 HA SER 2 HA SER 2 6.114 11.014 -3.648 10 2HB SER 2 2HB SER 2 6.910 12.114 -1.670 11 HG SER 2 HG SER 2 5.829 13.665 -0.607 12 H GLU 3 H GLU 3 4.492 9.458 -3.746 13 HA GLU 3 HA GLU 3 1.790 10.317 -3.218 14 2HB GLU 3 2HB GLU 3 1.665 10.701 -5.522 15 2HG GLU 3 2HG GLU 3 2.723 8.652 -7.005 16 HE2 GLU 3 HE2 GLU 3 5.110 10.506 -5.363 17 H VAL 4 H VAL 4 0.606 8.713 -2.199 18 HA VAL 4 HA VAL 4 1.868 6.058 -2.143 19 HB VAL 4 HB VAL 4 1.938 7.452 -0.042 20 1HG1 VAL 4 1HG1 VAL 4 -0.841 6.752 0.648 21 2HG1 VAL 4 2HG1 VAL 4 0.091 8.230 0.986 22 3HG1 VAL 4 3HG1 VAL 4 -0.687 8.011 -0.600 23 1HG2 VAL 4 1HG2 VAL 4 1.204 5.551 1.422 24 2HG2 VAL 4 2HG2 VAL 4 0.526 4.766 -0.025 25 3HG2 VAL 4 3HG2 VAL 4 2.277 5.074 0.084 26 H ASN 5 H ASN 5 0.678 4.401 -2.952 27 HA ASN 5 HA ASN 5 -2.198 4.760 -2.980 28 2HB ASN 5 2HB ASN 5 -1.594 5.384 -5.244 29 1HD2 ASN 5 1HD2 ASN 5 -0.948 2.143 -6.053 30 2HD2 ASN 5 2HD2 ASN 5 0.714 2.286 -6.517 31 H ILE 6 H ILE 6 -3.303 2.756 -2.622 32 HA ILE 6 HA ILE 6 -1.686 0.327 -2.720 33 HB ILE 6 HB ILE 6 -1.816 1.494 -0.390 34 2HG1 ILE 6 2HG1 ILE 6 -2.286 -1.451 -0.909 35 1HG2 ILE 6 1HG2 ILE 6 -4.316 1.743 -0.522 36 2HG2 ILE 6 2HG2 ILE 6 -4.433 -0.022 -0.329 37 3HG2 ILE 6 3HG2 ILE 6 -3.704 0.968 0.959 38 1HD1 ILE 6 1HD1 ILE 6 0.178 -1.507 -0.326 39 2HD1 ILE 6 2HD1 ILE 6 -0.186 -0.628 -1.831 40 3HD1 ILE 6 3HD1 ILE 6 0.166 0.273 -0.337 41 H VAL 7 H VAL 7 -2.797 -1.436 -3.498 42 HA VAL 7 HA VAL 7 -5.699 -1.276 -3.577 43 HB VAL 7 HB VAL 7 -5.089 -0.212 -5.627 44 1HG1 VAL 7 1HG1 VAL 7 -2.793 -0.863 -5.885 45 2HG1 VAL 7 2HG1 VAL 7 -3.239 -2.577 -6.061 46 3HG1 VAL 7 3HG1 VAL 7 -3.676 -1.410 -7.330 47 1HG2 VAL 7 1HG2 VAL 7 -6.533 -2.661 -5.490 48 2HG2 VAL 7 2HG2 VAL 7 -6.736 -1.319 -6.641 49 3HG2 VAL 7 3HG2 VAL 7 -5.630 -2.659 -7.025 50 H VAL 8 H VAL 8 -6.450 -3.174 -2.799 51 HA VAL 8 HA VAL 8 -4.970 -5.592 -3.507 52 HB VAL 8 HB VAL 8 -5.788 -4.733 -0.727 53 1HG1 VAL 8 1HG1 VAL 8 -5.297 -7.424 -1.883 54 2HG1 VAL 8 2HG1 VAL 8 -4.490 -7.077 -0.335 55 3HG1 VAL 8 3HG1 VAL 8 -6.259 -6.936 -0.467 56 1HG2 VAL 8 1HG2 VAL 8 -3.045 -5.632 -1.607 57 2HG2 VAL 8 2HG2 VAL 8 -3.571 -3.944 -1.813 58 3HG2 VAL 8 3HG2 VAL 8 -3.512 -4.666 -0.187 59 H ASN 9 H ASN 9 -6.411 -6.724 -4.704 60 HA ASN 9 HA ASN 9 -9.169 -6.656 -3.762 61 2HB ASN 9 2HB ASN 9 -9.310 -7.645 -6.350 62 1HD2 ASN 9 1HD2 ASN 9 -8.785 -4.766 -4.399 63 2HD2 ASN 9 2HD2 ASN 9 -10.093 -3.815 -5.018 64 H GLY 10 H GLY 10 -9.614 -8.594 -2.696 65 1HA GLY 10 1HA GLY 10 -10.055 -10.917 -2.936 66 2HA GLY 10 2HA GLY 10 -8.620 -11.084 -3.929 67 H ARG 11 H ARG 11 -8.022 -8.894 -1.359 68 HA ARG 11 HA ARG 11 -6.685 -9.000 0.344 69 2HB ARG 11 2HB ARG 11 -8.019 -11.650 1.069 70 2HG ARG 11 2HG ARG 11 -6.776 -9.349 2.621 71 2HD ARG 11 2HD ARG 11 -8.367 -11.607 3.896 72 HE ARG 11 HE ARG 11 -8.070 -9.060 5.265 73 1HH1 ARG 11 1HH1 ARG 11 -6.380 -12.085 4.529 74 2HH1 ARG 11 2HH1 ARG 11 -5.341 -11.987 5.909 75 2HH2 ARG 11 2HH2 ARG 11 -5.545 -10.121 7.402 76 H GLU 12 H GLU 12 -5.122 -9.677 -1.640 77 HA GLU 12 HA GLU 12 -3.943 -12.252 -0.950 78 2HB GLU 12 2HB GLU 12 -4.736 -12.017 -3.304 79 2HG GLU 12 2HG GLU 12 -2.778 -9.691 -3.256 80 HE2 GLU 12 HE2 GLU 12 -2.635 -12.421 -5.240 81 H ALA 13 H ALA 13 -1.538 -12.381 -0.939 82 HA ALA 13 HA ALA 13 -0.181 -9.819 -0.708 83 1HB ALA 13 1HB ALA 13 -0.583 -11.815 1.532 84 2HB ALA 13 2HB ALA 13 0.848 -10.759 1.488 85 3HB ALA 13 3HB ALA 13 -0.781 -10.047 1.558 86 H GLY 14 H GLY 14 2.185 -10.067 -0.812 87 1HA GLY 14 1HA GLY 14 3.586 -12.416 -1.018 88 2HA GLY 14 2HA GLY 14 2.925 -12.155 -2.621 89 H SER 15 H SER 15 4.460 -10.160 0.013 90 HA SER 15 HA SER 15 6.404 -9.293 -1.922 91 2HB SER 15 2HB SER 15 4.469 -7.655 -2.032 92 HG SER 15 HG SER 15 4.484 -6.095 -0.190 93 H LYS 16 H LYS 16 7.884 -7.499 -0.554 94 HA LYS 16 HA LYS 16 8.753 -9.035 1.726 95 2HB LYS 16 2HB LYS 16 10.055 -6.471 0.907 96 2HG LYS 16 2HG LYS 16 10.828 -9.191 1.983 97 2HD LYS 16 2HD LYS 16 13.089 -7.436 1.239 98 2HE LYS 16 2HE LYS 16 12.376 -10.360 1.261 99 1HZ LYS 16 1HZ LYS 16 14.904 -9.859 0.031 100 2HZ LYS 16 2HZ LYS 16 13.725 -10.874 -0.449 101 H SER 17 H SER 17 6.143 -7.318 1.543 102 HA SER 17 HA SER 17 6.673 -5.304 3.492 103 2HB SER 17 2HB SER 17 4.972 -5.034 1.667 104 HG SER 17 HG SER 17 3.296 -6.366 1.488 105 H LYS 18 H LYS 18 6.889 -8.451 3.879 106 HA LYS 18 HA LYS 18 4.962 -8.867 5.984 107 2HB LYS 18 2HB LYS 18 5.760 -11.110 6.025 108 2HG LYS 18 2HG LYS 18 6.142 -11.308 3.279 109 2HD LYS 18 2HD LYS 18 3.347 -10.897 3.688 110 2HE LYS 18 2HE LYS 18 4.542 -13.593 4.231 111 1HZ LYS 18 1HZ LYS 18 2.883 -13.270 1.944 112 2HZ LYS 18 2HZ LYS 18 2.598 -14.154 3.281 113 H GLY 19 H GLY 19 8.305 -7.811 5.563 114 1HA GLY 19 1HA GLY 19 9.091 -8.314 8.280 115 2HA GLY 19 2HA GLY 19 9.960 -7.405 7.060 116 H CYS 20 H CYS 20 10.469 -5.646 8.461 117 HA CYS 20 HA CYS 20 8.265 -4.282 9.727 118 2HB CYS 20 2HB CYS 20 10.447 -2.711 10.209 119 HG CYS 20 HG CYS 20 9.962 -5.600 11.725 120 H ALA 21 H ALA 21 8.427 -1.704 9.463 121 HA ALA 21 HA ALA 21 8.012 -1.208 6.681 122 1HB ALA 21 1HB ALA 21 6.549 0.099 7.828 123 2HB ALA 21 2HB ALA 21 7.572 0.140 9.284 124 3HB ALA 21 3HB ALA 21 7.916 1.236 7.924 125 H LEU 22 H LEU 22 10.601 -0.722 9.074 126 HA LEU 22 HA LEU 22 12.050 1.033 7.297 127 2HB LEU 22 2HB LEU 22 13.800 0.604 9.216 128 HG LEU 22 HG LEU 22 13.067 2.442 10.430 129 1HD1 LEU 22 1HD1 LEU 22 13.320 2.805 7.902 130 2HD1 LEU 22 2HD1 LEU 22 11.547 2.949 7.877 131 3HD1 LEU 22 3HD1 LEU 22 12.517 4.079 8.853 132 1HD2 LEU 22 1HD2 LEU 22 10.709 3.175 10.589 133 2HD2 LEU 22 2HD2 LEU 22 10.222 1.734 9.664 134 3HD2 LEU 22 3HD2 LEU 22 10.981 1.551 11.264 135 H CYS 23 H CYS 23 12.642 -2.207 8.842 136 HA CYS 23 HA CYS 23 14.290 -2.808 6.493 137 2HB CYS 23 2HB CYS 23 15.508 -2.673 8.699 138 HG CYS 23 HG CYS 23 13.184 -3.743 9.913 139 H GLY 24 H GLY 24 14.368 -5.400 6.239 140 1HA GLY 24 1HA GLY 24 11.723 -6.546 6.831 141 2HA GLY 24 2HA GLY 24 12.281 -6.472 5.172 142 H ALA 25 H ALA 25 13.123 -7.713 8.456 143 HA ALA 25 HA ALA 25 14.779 -9.752 7.138 144 1HB ALA 25 1HB ALA 25 14.942 -8.256 9.729 145 2HB ALA 25 2HB ALA 25 15.501 -9.946 9.715 146 3HB ALA 25 3HB ALA 25 16.238 -8.756 8.615 147 H THR 26 H THR 26 12.233 -9.104 9.613 148 HA THR 26 HA THR 26 11.758 -11.968 9.865 149 HB THR 26 HB THR 26 10.412 -9.583 11.237 150 HG1 THR 26 HG1 THR 26 12.094 -10.379 12.904 151 1HG2 THR 26 1HG2 THR 26 9.148 -11.518 11.818 152 2HG2 THR 26 2HG2 THR 26 10.575 -12.581 11.738 153 3HG2 THR 26 3HG2 THR 26 10.379 -11.454 13.102 154 H TRP 27 H TRP 27 9.194 -12.414 10.101 155 HA TRP 27 HA TRP 27 7.800 -11.094 7.914 156 2HB TRP 27 2HB TRP 27 8.845 -12.831 6.701 157 HD1 TRP 27 HD1 TRP 27 10.563 -14.063 8.732 158 HE1 TRP 27 HE1 TRP 27 10.615 -16.571 9.550 159 HE3 TRP 27 HE3 TRP 27 5.854 -15.210 7.196 160 HZ2 TRP 27 HZ2 TRP 27 8.722 -18.706 9.466 161 HZ3 TRP 27 HZ3 TRP 27 5.032 -17.529 7.602 162 HH2 TRP 27 HH2 TRP 27 6.383 -19.248 8.694 163 H GLY 28 H GLY 28 5.424 -11.880 7.930 164 1HA GLY 28 1HA GLY 28 4.262 -13.358 9.927 165 2HA GLY 28 2HA GLY 28 4.468 -11.763 10.624 166 H ASP 29 H ASP 29 3.009 -13.590 7.896 167 HA ASP 29 HA ASP 29 1.627 -11.329 6.921 168 2HB ASP 29 2HB ASP 29 2.008 -13.025 5.314 169 HD2 ASP 29 HD2 ASP 29 2.166 -15.453 4.797 170 H TYR 30 H TYR 30 1.335 -13.132 9.739 171 HA TYR 30 HA TYR 30 -1.360 -13.782 9.914 172 2HB TYR 30 2HB TYR 30 -0.800 -13.603 12.398 173 HD1 TYR 30 HD1 TYR 30 2.657 -13.829 11.320 174 HD2 TYR 30 HD2 TYR 30 -0.984 -16.032 11.758 175 HE1 TYR 30 HE1 TYR 30 3.950 -16.012 11.159 176 HE2 TYR 30 HE2 TYR 30 0.322 -18.208 11.597 177 HH TYR 30 HH TYR 30 3.547 -18.408 12.028 178 H HIS 31 H HIS 31 0.286 -10.662 10.022 179 HA HIS 31 HA HIS 31 -2.220 -9.451 10.936 180 2HB HIS 31 2HB HIS 31 -0.178 -7.520 11.001 181 HD1 HIS 31 HD1 HIS 31 -0.822 -6.150 12.985 182 HD2 HIS 31 HD2 HIS 31 -1.707 -10.216 13.524 183 HE1 HIS 31 HE1 HIS 31 -2.000 -6.333 15.241 184 H ALA 32 H ALA 32 -2.171 -6.952 9.991 185 HA ALA 32 HA ALA 32 -2.051 -7.370 7.092 186 1HB ALA 32 1HB ALA 32 -4.113 -6.527 8.718 187 2HB ALA 32 2HB ALA 32 -3.432 -4.983 8.152 188 3HB ALA 32 3HB ALA 32 -3.986 -6.197 6.974 189 H ASP 33 H ASP 33 -1.606 -5.193 5.862 190 HA ASP 33 HA ASP 33 0.660 -3.959 7.221 191 2HB ASP 33 2HB ASP 33 1.426 -5.231 5.300 192 HD2 ASP 33 HD2 ASP 33 1.541 -5.293 2.982 193 H PHE 34 H PHE 34 1.051 -1.611 6.492 194 HA PHE 34 HA PHE 34 -1.512 -0.279 6.251 195 2HB PHE 34 2HB PHE 34 0.044 1.729 6.714 196 HD1 PHE 34 HD1 PHE 34 -1.973 0.174 8.225 197 HD2 PHE 34 HD2 PHE 34 2.190 0.656 8.892 198 HE1 PHE 34 HE1 PHE 34 -2.315 -0.260 10.673 199 HE2 PHE 34 HE2 PHE 34 1.848 0.223 11.341 200 HZ PHE 34 HZ PHE 34 -0.401 -0.230 12.203 201 H LEU 35 H LEU 35 -1.257 1.964 4.929 202 HA LEU 35 HA LEU 35 -1.261 1.296 2.270 203 2HB LEU 35 2HB LEU 35 -0.491 4.043 2.628 204 HG LEU 35 HG LEU 35 -2.975 2.585 1.803 205 1HD1 LEU 35 1HD1 LEU 35 -2.924 5.222 3.112 206 2HD1 LEU 35 2HD1 LEU 35 -3.763 5.183 1.542 207 3HD1 LEU 35 3HD1 LEU 35 -4.270 4.086 2.850 208 1HD2 LEU 35 1HD2 LEU 35 -1.550 4.890 0.465 209 2HD2 LEU 35 2HD2 LEU 35 -1.069 3.191 0.244 210 3HD2 LEU 35 3HD2 LEU 35 -2.693 3.726 -0.248 211 H GLY 36 H GLY 36 1.444 1.843 4.425 212 1HA GLY 36 1HA GLY 36 3.322 2.375 2.276 213 2HA GLY 36 2HA GLY 36 3.660 2.236 3.991 214 H GLU 37 H GLU 37 1.623 -0.300 2.754 215 HA GLU 37 HA GLU 37 1.973 -2.471 2.812 216 2HB GLU 37 2HB GLU 37 2.345 -2.076 0.472 217 2HG GLU 37 2HG GLU 37 5.223 -1.399 1.247 218 HE2 GLU 37 HE2 GLU 37 4.961 -3.306 -1.608 219 H ASP 38 H ASP 38 2.849 -2.103 5.141 220 HA ASP 38 HA ASP 38 5.413 -3.431 5.228 221 2HB ASP 38 2HB ASP 38 6.269 -1.306 5.676 222 HD2 ASP 38 HD2 ASP 38 2.866 -0.604 7.296 223 H LEU 39 H LEU 39 5.620 -4.757 7.176 224 HA LEU 39 HA LEU 39 3.096 -5.007 8.649 225 2HB LEU 39 2HB LEU 39 5.293 -7.054 8.335 226 HG LEU 39 HG LEU 39 3.125 -8.544 8.614 227 1HD1 LEU 39 1HD1 LEU 39 4.021 -7.614 11.260 228 2HD1 LEU 39 2HD1 LEU 39 4.082 -9.232 10.521 229 3HD1 LEU 39 3HD1 LEU 39 5.334 -8.029 10.131 230 1HD2 LEU 39 1HD2 LEU 39 2.411 -6.026 10.138 231 2HD2 LEU 39 2HD2 LEU 39 1.502 -6.788 8.810 232 3HD2 LEU 39 3HD2 LEU 39 1.638 -7.611 10.382 233 H PHE 40 H PHE 40 3.051 -4.290 10.706 234 HA PHE 40 HA PHE 40 5.642 -3.836 11.989 235 2HB PHE 40 2HB PHE 40 3.799 -2.013 11.555 236 HD1 PHE 40 HD1 PHE 40 1.569 -3.108 11.101 237 HD2 PHE 40 HD2 PHE 40 3.077 -2.562 15.030 238 HE1 PHE 40 HE1 PHE 40 -0.743 -3.411 12.031 239 HE2 PHE 40 HE2 PHE 40 0.765 -2.865 15.960 240 HZ PHE 40 HZ PHE 40 -1.117 -3.286 14.449 241 H PHE 41 H PHE 41 2.860 -5.896 11.988 242 HA PHE 41 HA PHE 41 2.572 -6.425 14.695 243 2HB PHE 41 2HB PHE 41 2.343 -8.188 12.183 244 HD1 PHE 41 HD1 PHE 41 0.593 -7.663 15.449 245 HD2 PHE 41 HD2 PHE 41 2.091 -10.430 12.602 246 HE1 PHE 41 HE1 PHE 41 -0.262 -9.565 16.847 247 HE2 PHE 41 HE2 PHE 41 1.236 -12.332 14.000 248 HZ PHE 41 HZ PHE 41 0.069 -11.877 16.105 249 H CYS 42 H CYS 42 5.253 -7.029 12.611 250 HA CYS 42 HA CYS 42 6.128 -9.459 13.714 251 2HB CYS 42 2HB CYS 42 7.086 -8.977 11.653 252 HG CYS 42 HG CYS 42 7.402 -6.892 10.555 253 H CYS 43 H CYS 43 7.241 -6.018 14.186 254 HA CYS 43 HA CYS 43 8.231 -6.855 16.811 255 2HB CYS 43 2HB CYS 43 9.658 -4.773 16.658 256 HG CYS 43 HG CYS 43 9.804 -7.621 15.472 257 H ASP 44 H ASP 44 6.884 -3.962 15.042 258 HA ASP 44 HA ASP 44 5.215 -2.642 15.548 259 2HB ASP 44 2HB ASP 44 4.546 -4.875 17.094 260 HD2 ASP 44 HD2 ASP 44 5.826 -4.740 18.929 261 H ILE 45 H ILE 45 8.146 -2.762 16.751 262 HA ILE 45 HA ILE 45 7.743 -0.857 18.939 263 HB ILE 45 HB ILE 45 9.765 -2.921 18.304 264 2HG1 ILE 45 2HG1 ILE 45 8.571 -1.781 20.845 265 1HG2 ILE 45 1HG2 ILE 45 11.410 -1.351 18.228 266 2HG2 ILE 45 2HG2 ILE 45 10.485 -0.164 19.180 267 3HG2 ILE 45 3HG2 ILE 45 11.282 -1.532 19.995 268 1HD1 ILE 45 1HD1 ILE 45 7.718 -3.781 18.959 269 2HD1 ILE 45 2HD1 ILE 45 8.220 -4.607 20.454 270 3HD1 ILE 45 3HD1 ILE 45 6.970 -3.342 20.513 271 H CYS 46 H CYS 46 10.028 -1.431 16.165 272 HA CYS 46 HA CYS 46 10.372 1.446 16.014 273 2HB CYS 46 2HB CYS 46 12.387 0.024 16.034 274 HG CYS 46 HG CYS 46 12.033 -0.763 12.946 275 H ALA 47 H ALA 47 8.412 -1.058 14.768 276 HA ALA 47 HA ALA 47 8.091 0.263 12.179 277 1HB ALA 47 1HB ALA 47 8.271 -2.408 12.912 278 2HB ALA 47 2HB ALA 47 6.518 -2.164 12.719 279 3HB ALA 47 3HB ALA 47 7.621 -1.796 11.372 280 H ALA 48 H ALA 48 5.681 0.313 11.415 281 HA ALA 48 HA ALA 48 3.617 1.075 11.671 282 1HB ALA 48 1HB ALA 48 4.110 -0.403 14.171 283 2HB ALA 48 2HB ALA 48 2.888 0.880 14.338 284 3HB ALA 48 3HB ALA 48 2.679 -0.394 13.113 285 H GLU 49 H GLU 49 5.154 3.067 11.270 286 HA GLU 49 HA GLU 49 5.337 4.786 13.548 287 2HB GLU 49 2HB GLU 49 5.879 6.011 10.925 288 2HG GLU 49 2HG GLU 49 6.799 6.931 13.000 289 HE2 GLU 49 HE2 GLU 49 6.522 6.051 14.834 290 H PHE 50 H PHE 50 4.222 6.806 13.815 291 HA PHE 50 HA PHE 50 1.580 6.761 12.738 292 2HB PHE 50 2HB PHE 50 1.810 9.138 14.063 293 HD1 PHE 50 HD1 PHE 50 0.002 6.784 13.967 294 HD2 PHE 50 HD2 PHE 50 2.844 7.958 16.892 295 HE1 PHE 50 HE1 PHE 50 -1.307 5.565 15.728 296 HE2 PHE 50 HE2 PHE 50 1.535 6.739 18.653 297 HZ PHE 50 HZ PHE 50 -0.524 5.557 18.050 298 H MET 51 H MET 51 4.609 8.022 11.686 299 HA MET 51 HA MET 51 4.015 10.449 10.663 300 2HB MET 51 2HB MET 51 5.550 8.951 8.700 301 2HG MET 51 2HG MET 51 5.830 11.348 9.868 302 1HE MET 51 1HE MET 51 6.209 12.546 12.012 303 2HE MET 51 2HE MET 51 5.057 11.236 12.365 304 3HE MET 51 3HE MET 51 6.369 11.601 13.511 305 H ASN 52 H ASN 52 2.686 7.360 9.727 306 HA ASN 52 HA ASN 52 1.961 8.271 7.113 307 2HB ASN 52 2HB ASN 52 1.065 6.053 6.796 308 1HD2 ASN 52 1HD2 ASN 52 3.395 6.619 6.153 309 2HD2 ASN 52 2HD2 ASN 52 4.646 5.618 6.813 310 H MET 53 H MET 53 -0.571 7.760 6.571 311 HA MET 53 HA MET 53 -2.025 9.420 8.397 312 2HB MET 53 2HB MET 53 -3.006 8.019 5.853 313 2HG MET 53 2HG MET 53 -4.076 10.103 7.677 314 1HE MET 53 1HE MET 53 -2.846 13.019 5.801 315 2HE MET 53 2HE MET 53 -4.204 12.952 6.950 316 3HE MET 53 3HE MET 53 -2.768 11.933 7.209 317 H MET 54 H MET 54 -4.261 8.810 9.148 318 HA MET 54 HA MET 54 -4.162 6.358 10.455 319 2HB MET 54 2HB MET 54 -5.419 8.341 11.290 320 2HG MET 54 2HG MET 54 -7.353 7.806 8.984 321 1HE MET 54 1HE MET 54 -8.190 11.808 10.116 322 2HE MET 54 2HE MET 54 -7.115 11.013 8.940 323 3HE MET 54 3HE MET 54 -8.877 10.786 8.830 324 H ASP 55 H ASP 55 -5.895 7.485 7.500 325 HA ASP 55 HA ASP 55 -7.620 5.505 7.085 326 2HB ASP 55 2HB ASP 55 -6.479 5.810 4.547 327 HD2 ASP 55 HD2 ASP 55 -8.053 8.940 5.507 328 H GLU 56 H GLU 56 -4.051 5.453 6.725 329 HA GLU 56 HA GLU 56 -3.633 3.281 5.217 330 2HB GLU 56 2HB GLU 56 -1.547 2.928 6.613 331 2HG GLU 56 2HG GLU 56 -1.627 5.874 6.434 332 HE2 GLU 56 HE2 GLU 56 1.459 3.987 6.030 333 H ALA 57 H ALA 57 -4.427 3.332 8.748 334 HA ALA 57 HA ALA 57 -4.249 0.548 9.090 335 1HB ALA 57 1HB ALA 57 -5.978 2.490 10.661 336 2HB ALA 57 2HB ALA 57 -5.224 0.982 11.233 337 3HB ALA 57 3HB ALA 57 -4.211 2.395 10.852 338 H PHE 58 H PHE 58 -6.971 2.789 8.293 339 HA PHE 58 HA PHE 58 -9.069 1.087 8.461 340 2HB PHE 58 2HB PHE 58 -8.977 2.698 5.956 341 HD1 PHE 58 HD1 PHE 58 -10.009 5.041 8.111 342 HD2 PHE 58 HD2 PHE 58 -11.178 1.154 6.878 343 HE1 PHE 58 HE1 PHE 58 -12.374 5.537 8.791 344 HE2 PHE 58 HE2 PHE 58 -13.543 1.648 7.558 345 HZ PHE 58 HZ PHE 58 -14.113 3.834 8.506 346 H LYS 59 H LYS 59 -6.649 1.340 5.800 347 HA LYS 59 HA LYS 59 -7.830 -0.156 3.880 348 2HB LYS 59 2HB LYS 59 -5.176 0.702 4.559 349 2HG LYS 59 2HG LYS 59 -4.912 -1.862 4.845 350 2HD LYS 59 2HD LYS 59 -6.415 -2.476 2.925 351 2HE LYS 59 2HE LYS 59 -4.858 -0.534 1.541 352 1HZ LYS 59 1HZ LYS 59 -4.177 -1.981 -0.371 353 2HZ LYS 59 2HZ LYS 59 -3.251 -2.196 0.951 354 H HIS 60 H HIS 60 -6.102 -1.336 6.823 355 HA HIS 60 HA HIS 60 -6.170 -4.018 6.225 356 2HB HIS 60 2HB HIS 60 -6.063 -2.404 8.743 357 HD1 HIS 60 HD1 HIS 60 -5.985 -6.164 7.916 358 HD2 HIS 60 HD2 HIS 60 -6.964 -3.542 11.041 359 HE1 HIS 60 HE1 HIS 60 -6.795 -7.623 9.846 360 H THR 61 H THR 61 -8.589 -2.054 8.098 361 HA THR 61 HA THR 61 -10.408 -4.195 8.368 362 HB THR 61 HB THR 61 -10.667 -1.149 8.547 363 HG1 THR 61 HG1 THR 61 -9.321 -2.850 9.971 364 1HG2 THR 61 1HG2 THR 61 -12.711 -1.545 9.834 365 2HG2 THR 61 2HG2 THR 61 -12.913 -2.339 8.254 366 3HG2 THR 61 3HG2 THR 61 -12.510 -3.309 9.691 367 H ALA 62 H ALA 62 -9.877 -1.732 5.840 368 HA ALA 62 HA ALA 62 -12.310 -2.095 4.516 369 1HB ALA 62 1HB ALA 62 -9.751 -0.759 4.118 370 2HB ALA 62 2HB ALA 62 -10.349 -1.464 2.597 371 3HB ALA 62 3HB ALA 62 -11.364 -0.321 3.506 372 H ARG 63 H ARG 63 -9.043 -3.588 3.965 373 HA ARG 63 HA ARG 63 -10.093 -5.311 2.001 374 2HB ARG 63 2HB ARG 63 -7.593 -4.443 2.544 375 2HG ARG 63 2HG ARG 63 -7.400 -7.298 3.525 376 2HD ARG 63 2HD ARG 63 -5.437 -5.985 4.785 377 HE ARG 63 HE ARG 63 -4.823 -6.310 1.934 378 1HH1 ARG 63 1HH1 ARG 63 -5.414 -8.006 4.987 379 2HH1 ARG 63 2HH1 ARG 63 -4.580 -9.443 4.495 380 2HH2 ARG 63 2HH2 ARG 63 -3.594 -9.536 2.312 381 H HIS 64 H HIS 64 -10.951 -5.247 5.087 382 HA HIS 64 HA HIS 64 -10.312 -7.876 5.962 383 2HB HIS 64 2HB HIS 64 -12.523 -6.137 7.052 384 HD1 HIS 64 HD1 HIS 64 -10.094 -8.967 7.577 385 HD2 HIS 64 HD2 HIS 64 -12.916 -6.784 9.783 386 HE1 HIS 64 HE1 HIS 64 -10.451 -10.252 9.752 387 H ASN 65 H ASN 65 -13.440 -6.271 5.014 388 HA ASN 65 HA ASN 65 -14.342 -8.937 4.257 389 2HB ASN 65 2HB ASN 65 -16.051 -8.358 5.693 390 1HD2 ASN 65 1HD2 ASN 65 -16.399 -5.209 4.286 391 2HD2 ASN 65 2HD2 ASN 65 -15.945 -4.257 5.661 392 H VAL 66 H VAL 66 -14.677 -5.383 3.506 393 HA VAL 66 HA VAL 66 -15.366 -6.066 0.757 394 HB VAL 66 HB VAL 66 -16.521 -4.343 2.403 395 1HG1 VAL 66 1HG1 VAL 66 -14.134 -3.129 2.386 396 2HG1 VAL 66 2HG1 VAL 66 -14.844 -2.344 0.954 397 3HG1 VAL 66 3HG1 VAL 66 -15.664 -2.230 2.530 398 1HG2 VAL 66 1HG2 VAL 66 -16.731 -4.920 -0.238 399 2HG2 VAL 66 2HG2 VAL 66 -17.708 -3.685 0.590 400 3HG2 VAL 66 3HG2 VAL 66 -16.258 -3.206 -0.324 401 H ASP 67 H ASP 67 -14.367 -3.619 -0.418 402 HA ASP 67 HA ASP 67 -11.509 -3.929 -0.007 403 2HB ASP 67 2HB ASP 67 -12.292 -5.266 -2.013 404 HD2 ASP 67 HD2 ASP 67 -13.304 -2.062 -4.190 405 H GLU 68 H GLU 68 -10.384 -1.916 -0.189 406 HA GLU 68 HA GLU 68 -11.831 0.297 -1.341 407 2HB GLU 68 2HB GLU 68 -11.019 1.648 0.801 408 2HG GLU 68 2HG GLU 68 -13.216 1.273 1.845 409 HE2 GLU 68 HE2 GLU 68 -14.941 0.196 -0.206 410 H LEU 69 H LEU 69 -10.452 1.884 -2.238 411 HA LEU 69 HA LEU 69 -7.594 1.526 -1.733 412 2HB LEU 69 2HB LEU 69 -8.269 0.240 -3.752 413 HG LEU 69 HG LEU 69 -9.022 2.972 -4.773 414 1HD1 LEU 69 1HD1 LEU 69 -7.267 2.264 -6.267 415 2HD1 LEU 69 2HD1 LEU 69 -8.005 0.652 -6.434 416 3HD1 LEU 69 3HD1 LEU 69 -8.839 2.085 -7.081 417 1HD2 LEU 69 1HD2 LEU 69 -10.365 0.463 -5.638 418 2HD2 LEU 69 2HD2 LEU 69 -10.599 0.976 -3.949 419 3HD2 LEU 69 3HD2 LEU 69 -11.040 2.071 -5.280 420 H HIS 70 H HIS 70 -6.545 3.433 -1.400 421 HA HIS 70 HA HIS 70 -7.726 5.838 -2.498 422 2HB HIS 70 2HB HIS 70 -8.801 6.228 -0.560 423 HD1 HIS 70 HD1 HIS 70 -5.738 4.275 0.705 424 HD2 HIS 70 HD2 HIS 70 -9.811 4.826 1.545 425 HE1 HIS 70 HE1 HIS 70 -6.291 2.696 2.631 426 H ILE 71 H ILE 71 -6.185 7.435 -2.954 427 HA ILE 71 HA ILE 71 -3.467 6.891 -2.022 428 HB ILE 71 HB ILE 71 -2.578 6.605 -4.042 429 2HG1 ILE 71 2HG1 ILE 71 -3.073 7.842 -6.023 430 1HG2 ILE 71 1HG2 ILE 71 -5.480 5.982 -4.628 431 2HG2 ILE 71 2HG2 ILE 71 -4.130 5.544 -5.703 432 3HG2 ILE 71 3HG2 ILE 71 -4.214 4.869 -4.058 433 1HD1 ILE 71 1HD1 ILE 71 -5.076 9.581 -5.718 434 2HD1 ILE 71 2HD1 ILE 71 -5.382 7.944 -6.344 435 3HD1 ILE 71 3HD1 ILE 71 -5.707 8.317 -4.635 436 H ASP 72 H ASP 72 -2.434 8.699 -1.304 437 HA ASP 72 HA ASP 72 -3.414 11.239 -2.268 438 2HB ASP 72 2HB ASP 72 -3.131 11.953 0.302 439 HD2 ASP 72 HD2 ASP 72 -5.450 11.511 1.634 440 H GLY 73 H GLY 73 -1.712 12.826 -2.298 441 1HA GLY 73 1HA GLY 73 0.854 12.021 -1.079 442 2HA GLY 73 2HA GLY 73 0.766 12.490 -2.765 443 H ASN 74 H ASN 74 1.857 13.678 -0.001 444 HA ASN 74 HA ASN 74 1.121 16.371 -0.756 445 2HB ASN 74 2HB ASN 74 1.358 15.940 2.190 446 1HD2 ASN 74 1HD2 ASN 74 1.324 18.028 2.625 447 2HD2 ASN 74 2HD2 ASN 74 0.127 19.170 2.112 448 H TYR 75 H TYR 75 2.913 17.815 -0.498 449 HA TYR 75 HA TYR 75 5.459 16.695 -0.291 450 2HB TYR 75 2HB TYR 75 5.034 18.802 -1.463 451 HD1 TYR 75 HD1 TYR 75 4.464 19.703 2.145 452 HD2 TYR 75 HD2 TYR 75 3.251 20.201 -1.927 453 HE1 TYR 75 HE1 TYR 75 2.681 21.363 2.872 454 HE2 TYR 75 HE2 TYR 75 1.472 21.859 -1.186 455 HH TYR 75 HH TYR 75 0.528 22.177 2.018 456 H GLN 76 H GLN 76 3.163 17.405 2.167 457 HA GLN 76 HA GLN 76 5.311 17.702 4.112 458 2HB GLN 76 2HB GLN 76 2.645 18.064 5.223 459 2HG GLN 76 2HG GLN 76 5.140 19.753 4.828 460 1HE2 GLN 76 1HE2 GLN 76 2.254 19.791 6.904 461 2HE2 GLN 76 2HE2 GLN 76 1.872 21.471 6.725 462 H LEU 77 H LEU 77 3.268 15.411 2.691 463 HA LEU 77 HA LEU 77 2.305 13.937 4.813 464 2HB LEU 77 2HB LEU 77 3.315 12.426 2.491 465 HG LEU 77 HG LEU 77 1.517 11.614 4.092 466 1HD1 LEU 77 1HD1 LEU 77 -0.797 12.614 3.004 467 2HD1 LEU 77 2HD1 LEU 77 -0.087 13.098 4.563 468 3HD1 LEU 77 3HD1 LEU 77 0.238 14.060 3.099 469 1HD2 LEU 77 1HD2 LEU 77 1.883 10.490 2.004 470 2HD2 LEU 77 2HD2 LEU 77 0.129 10.650 2.259 471 3HD2 LEU 77 3HD2 LEU 77 0.964 11.729 1.117 472 H GLY 78 H GLY 78 5.553 13.935 3.250 473 1HA GLY 78 1HA GLY 78 7.171 13.536 5.285 474 2HA GLY 78 2HA GLY 78 6.487 11.927 5.162 475 H ARG 79 H ARG 79 6.122 12.531 2.088 476 HA ARG 79 HA ARG 79 7.336 12.540 0.248 477 2HB ARG 79 2HB ARG 79 9.944 12.100 1.752 478 2HG ARG 79 2HG ARG 79 9.641 13.978 -0.560 479 2HD ARG 79 2HD ARG 79 11.651 11.898 0.389 480 HE ARG 79 HE ARG 79 12.463 13.331 -1.975 481 1HH1 ARG 79 1HH1 ARG 79 10.493 10.563 -0.972 482 2HH1 ARG 79 2HH1 ARG 79 10.676 9.729 -2.479 483 2HH2 ARG 79 2HH2 ARG 79 11.980 10.729 -4.223 484 H ASN 80 H ASN 80 6.005 10.336 1.030 485 HA ASN 80 HA ASN 80 7.944 8.184 0.685 486 2HB ASN 80 2HB ASN 80 5.201 7.606 1.793 487 1HD2 ASN 80 1HD2 ASN 80 5.710 6.263 3.901 488 2HD2 ASN 80 2HD2 ASN 80 6.869 4.992 3.695 489 H VAL 81 H VAL 81 7.709 7.178 -1.319 490 HA VAL 81 HA VAL 81 5.069 7.381 -2.595 491 HB VAL 81 HB VAL 81 6.588 8.696 -3.822 492 1HG1 VAL 81 1HG1 VAL 81 8.755 8.323 -3.266 493 2HG1 VAL 81 2HG1 VAL 81 8.534 6.562 -3.129 494 3HG1 VAL 81 3HG1 VAL 81 8.726 7.313 -4.731 495 1HG2 VAL 81 1HG2 VAL 81 6.754 7.527 -5.978 496 2HG2 VAL 81 2HG2 VAL 81 6.444 5.974 -5.164 497 3HG2 VAL 81 3HG2 VAL 81 5.182 7.229 -5.198 498 H LEU 82 H LEU 82 4.013 5.473 -2.392 499 HA LEU 82 HA LEU 82 5.638 3.048 -2.735 500 2HB LEU 82 2HB LEU 82 3.558 2.113 -1.357 501 HG LEU 82 HG LEU 82 4.782 2.371 0.758 502 1HD1 LEU 82 1HD1 LEU 82 7.107 1.534 -0.310 503 2HD1 LEU 82 2HD1 LEU 82 5.644 0.524 -0.218 504 3HD1 LEU 82 3HD1 LEU 82 6.047 1.370 -1.732 505 1HD2 LEU 82 1HD2 LEU 82 5.559 4.653 0.541 506 2HD2 LEU 82 2HD2 LEU 82 6.943 3.566 0.808 507 3HD2 LEU 82 3HD2 LEU 82 6.610 4.200 -0.823 508 H LEU 83 H LEU 83 5.197 1.966 -4.573 509 HA LEU 83 HA LEU 83 2.528 2.385 -5.729 510 2HB LEU 83 2HB LEU 83 5.187 1.945 -7.092 511 HG LEU 83 HG LEU 83 3.315 0.882 -8.365 512 1HD1 LEU 83 1HD1 LEU 83 1.966 3.055 -9.456 513 2HD1 LEU 83 2HD1 LEU 83 1.321 1.865 -8.300 514 3HD1 LEU 83 3HD1 LEU 83 2.009 3.397 -7.711 515 1HD2 LEU 83 1HD2 LEU 83 4.584 1.362 -10.117 516 2HD2 LEU 83 2HD2 LEU 83 3.806 2.957 -10.252 517 3HD2 LEU 83 3HD2 LEU 83 5.267 2.761 -9.253 518 H LYS 84 H LYS 84 1.272 0.646 -5.326 519 HA LYS 84 HA LYS 84 2.554 -1.978 -5.636 520 2HB LYS 84 2HB LYS 84 0.256 -1.677 -3.757 521 2HG LYS 84 2HG LYS 84 2.749 -3.381 -4.058 522 2HD LYS 84 2HD LYS 84 1.329 -2.623 -1.551 523 2HE LYS 84 2HE LYS 84 2.008 -5.136 -0.812 524 1HZ LYS 84 1HZ LYS 84 -0.196 -5.218 -0.426 525 2HZ LYS 84 2HZ LYS 84 -0.349 -3.787 -1.189 526 H ASN 85 H ASN 85 1.732 -3.092 -7.317 527 HA ASN 85 HA ASN 85 -0.963 -2.342 -8.136 528 2HB ASN 85 2HB ASN 85 0.243 -3.773 -10.259 529 1HD2 ASN 85 1HD2 ASN 85 -1.898 -2.584 -10.469 530 2HD2 ASN 85 2HD2 ASN 85 -1.857 -1.000 -11.169 531 H GLY 86 H GLY 86 -2.386 -3.949 -7.436 532 1HA GLY 86 1HA GLY 86 -1.444 -6.752 -7.574 533 2HA GLY 86 2HA GLY 86 -2.509 -6.129 -6.329 534 H GLU 87 H GLU 87 -2.457 -7.903 -9.149 535 HA GLU 87 HA GLU 87 -5.167 -7.046 -9.814 536 2HB GLU 87 2HB GLU 87 -3.981 -8.644 -11.918 537 2HG GLU 87 2HG GLU 87 -5.345 -6.051 -11.519 538 HE2 GLU 87 HE2 GLU 87 -3.131 -7.321 -13.799 539 H ASP 88 H ASP 88 -6.707 -8.479 -9.165 540 HA ASP 88 HA ASP 88 -6.148 -11.277 -9.507 541 2HB ASP 88 2HB ASP 88 -7.363 -10.498 -6.865 542 HD2 ASP 88 HD2 ASP 88 -7.413 -13.595 -6.314 543 H ARG 89 H ARG 89 -7.990 -12.019 -10.572 544 HA ARG 89 HA ARG 89 -10.529 -10.993 -9.639 545 2HB ARG 89 2HB ARG 89 -10.879 -11.318 -12.427 546 2HG ARG 89 2HG ARG 89 -11.025 -8.796 -12.418 547 2HD ARG 89 2HD ARG 89 -12.347 -10.393 -10.186 548 HE ARG 89 HE ARG 89 -13.656 -7.899 -10.762 549 1HH1 ARG 89 1HH1 ARG 89 -10.901 -9.185 -8.943 550 2HH1 ARG 89 2HH1 ARG 89 -10.918 -7.908 -7.773 551 2HH2 ARG 89 2HH2 ARG 89 -12.560 -6.172 -7.955 552 H LEU 90 H LEU 90 -12.141 -12.598 -9.564 553 HA LEU 90 HA LEU 90 -11.393 -15.182 -10.748 554 2HB LEU 90 2HB LEU 90 -12.823 -16.087 -8.800 555 HG LEU 90 HG LEU 90 -10.006 -15.191 -8.719 556 1HD1 LEU 90 1HD1 LEU 90 -11.674 -15.284 -6.264 557 2HD1 LEU 90 2HD1 LEU 90 -10.096 -16.103 -6.194 558 3HD1 LEU 90 3HD1 LEU 90 -10.184 -14.376 -6.617 559 1HD2 LEU 90 1HD2 LEU 90 -11.050 -17.485 -9.385 560 2HD2 LEU 90 2HD2 LEU 90 -9.544 -17.437 -8.437 561 3HD2 LEU 90 3HD2 LEU 90 -11.095 -17.769 -7.628 562 H ARG 91 H ARG 91 -13.273 -16.568 -11.346 563 HA ARG 91 HA ARG 91 -15.092 -15.011 -12.799 564 2HB ARG 91 2HB ARG 91 -14.221 -17.314 -13.449 565 2HG ARG 91 2HG ARG 91 -15.346 -18.006 -10.904 566 2HD ARG 91 2HD ARG 91 -17.123 -18.656 -13.132 567 HE ARG 91 HE ARG 91 -15.493 -20.855 -12.331 568 1HH1 ARG 91 1HH1 ARG 91 -18.928 -20.062 -12.677 569 2HH1 ARG 91 2HH1 ARG 91 -19.404 -21.701 -12.977 570 2HH2 ARG 91 2HH2 ARG 91 -17.735 -23.421 -13.000 571 H PHE 92 H PHE 92 -14.965 -15.872 -9.520 572 HA PHE 92 HA PHE 92 -17.764 -16.359 -9.140 573 2HB PHE 92 2HB PHE 92 -17.036 -16.385 -6.755 574 HD1 PHE 92 HD1 PHE 92 -17.261 -18.560 -8.589 575 HD2 PHE 92 HD2 PHE 92 -13.749 -16.950 -6.835 576 HE1 PHE 92 HE1 PHE 92 -16.106 -20.771 -8.871 577 HE2 PHE 92 HE2 PHE 92 -12.593 -19.160 -7.117 578 HZ PHE 92 HZ PHE 92 -13.787 -21.045 -8.131 579 H TYR 93 H TYR 93 -16.225 -13.642 -10.131 580 HA TYR 93 HA TYR 93 -17.793 -11.881 -8.373 581 2HB TYR 93 2HB TYR 93 -16.025 -10.341 -9.903 582 HD1 TYR 93 HD1 TYR 93 -16.445 -12.437 -6.931 583 HD2 TYR 93 HD2 TYR 93 -14.212 -9.220 -8.654 584 HE1 TYR 93 HE1 TYR 93 -15.577 -11.797 -4.629 585 HE2 TYR 93 HE2 TYR 93 -13.352 -8.591 -6.346 586 HH TYR 93 HH TYR 93 -14.477 -10.331 -3.467 587 H VAL 94 H VAL 94 -19.202 -10.346 -9.271 588 HA VAL 94 HA VAL 94 -19.944 -10.928 -12.026 589 HB VAL 94 HB VAL 94 -21.288 -9.396 -9.793 590 1HG1 VAL 94 1HG1 VAL 94 -23.047 -8.840 -11.174 591 2HG1 VAL 94 2HG1 VAL 94 -21.685 -8.696 -12.309 592 3HG1 VAL 94 3HG1 VAL 94 -22.706 -10.153 -12.326 593 1HG2 VAL 94 1HG2 VAL 94 -22.124 -11.361 -9.154 594 2HG2 VAL 94 2HG2 VAL 94 -22.798 -11.623 -10.781 595 3HG2 VAL 94 3HG2 VAL 94 -21.148 -12.175 -10.400 596 H LYS 95 H LYS 95 -18.496 -8.434 -9.956 597 HA LYS 95 HA LYS 95 -18.869 -6.236 -11.604 598 2HB LYS 95 2HB LYS 95 -16.341 -6.014 -10.329 599 2HG LYS 95 2HG LYS 95 -18.836 -5.161 -8.913 600 2HD LYS 95 2HD LYS 95 -16.107 -4.144 -9.529 601 2HE LYS 95 2HE LYS 95 -16.843 -1.755 -9.219 602 1HZ LYS 95 1HZ LYS 95 -18.297 -2.352 -11.594 603 2HZ LYS 95 2HZ LYS 95 -16.853 -1.613 -11.451 604 H PHE 96 H PHE 96 -15.905 -8.332 -11.353 605 HA PHE 96 HA PHE 96 -14.348 -8.834 -12.829 606 2HB PHE 96 2HB PHE 96 -16.024 -8.167 -15.221 607 HD1 PHE 96 HD1 PHE 96 -15.268 -9.428 -16.987 608 HD2 PHE 96 HD2 PHE 96 -14.943 -11.030 -13.070 609 HE1 PHE 96 HE1 PHE 96 -14.111 -11.455 -17.911 610 HE2 PHE 96 HE2 PHE 96 -13.786 -13.057 -13.995 611 HZ PHE 96 HZ PHE 96 -13.384 -13.244 -16.405 612 H GLY 97 H GLY 97 -13.846 -6.397 -11.915 613 1HA GLY 97 1HA GLY 97 -13.099 -4.873 -14.330 614 2HA GLY 97 2HA GLY 97 -13.855 -4.079 -12.963 615 HA PRO 98 HA PRO 98 -9.318 -5.230 -12.105 616 2HB PRO 98 2HB PRO 98 -8.186 -6.066 -13.927 617 2HG PRO 98 2HG PRO 98 -9.277 -5.805 -15.942 618 2HD PRO 98 2HD PRO 98 -11.451 -5.645 -15.211 619 H GLY 99 H GLY 99 -7.580 -3.876 -11.262 620 1HA GLY 99 1HA GLY 99 -8.371 -1.031 -11.459 621 2HA GLY 99 2HA GLY 99 -7.956 -1.802 -9.941 622 H ALA 100 H ALA 100 -6.741 -0.425 -12.949 623 HA ALA 100 HA ALA 100 -4.011 -1.202 -12.317 624 1HB ALA 100 1HB ALA 100 -4.570 -1.409 -14.621 625 2HB ALA 100 2HB ALA 100 -5.375 0.178 -14.650 626 3HB ALA 100 3HB ALA 100 -3.604 0.081 -14.506 627 H VAL 101 H VAL 101 -2.373 0.767 -12.750 628 HA VAL 101 HA VAL 101 -2.615 2.460 -10.593 629 HB VAL 101 HB VAL 101 -0.717 3.595 -11.489 630 1HG1 VAL 101 1HG1 VAL 101 -0.914 0.690 -11.486 631 2HG1 VAL 101 2HG1 VAL 101 0.365 1.262 -12.583 632 3HG1 VAL 101 3HG1 VAL 101 0.378 1.747 -10.870 633 1HG2 VAL 101 1HG2 VAL 101 -1.621 3.961 -13.777 634 2HG2 VAL 101 2HG2 VAL 101 0.060 3.373 -13.777 635 3HG2 VAL 101 3HG2 VAL 101 -1.272 2.257 -14.157 636 H ILE 102 H ILE 102 -3.597 2.902 -14.027 637 HA ILE 102 HA ILE 102 -4.271 5.615 -13.757 638 HB ILE 102 HB ILE 102 -3.945 3.944 -15.817 639 2HG1 ILE 102 2HG1 ILE 102 -5.392 6.571 -15.601 640 1HG2 ILE 102 1HG2 ILE 102 -6.942 4.120 -15.430 641 2HG2 ILE 102 2HG2 ILE 102 -6.150 3.672 -16.960 642 3HG2 ILE 102 3HG2 ILE 102 -5.938 2.653 -15.517 643 1HD1 ILE 102 1HD1 ILE 102 -2.733 5.612 -16.749 644 2HD1 ILE 102 2HD1 ILE 102 -3.351 7.272 -16.922 645 3HD1 ILE 102 3HD1 ILE 102 -2.973 6.627 -15.307 646 H LYS 103 H LYS 103 -6.253 2.580 -13.602 647 HA LYS 103 HA LYS 103 -8.659 3.882 -13.065 648 2HB LYS 103 2HB LYS 103 -7.897 1.100 -12.149 649 2HG LYS 103 2HG LYS 103 -10.394 2.667 -12.501 650 2HD LYS 103 2HD LYS 103 -11.613 0.470 -13.154 651 2HE LYS 103 2HE LYS 103 -10.082 2.325 -14.951 652 1HZ LYS 103 1HZ LYS 103 -10.454 1.086 -16.852 653 2HZ LYS 103 2HZ LYS 103 -10.076 -0.129 -15.836 654 H GLU 104 H GLU 104 -6.092 2.565 -10.890 655 HA GLU 104 HA GLU 104 -7.368 2.927 -8.524 656 2HB GLU 104 2HB GLU 104 -4.441 3.163 -9.298 657 2HG GLU 104 2HG GLU 104 -5.773 3.545 -6.611 658 HE2 GLU 104 HE2 GLU 104 -3.758 1.225 -5.063 659 H PHE 105 H PHE 105 -5.747 5.336 -10.619 660 HA PHE 105 HA PHE 105 -5.692 7.416 -8.745 661 2HB PHE 105 2HB PHE 105 -6.176 7.995 -11.658 662 HD1 PHE 105 HD1 PHE 105 -5.962 9.880 -9.431 663 HD2 PHE 105 HD2 PHE 105 -2.906 8.069 -11.752 664 HE1 PHE 105 HE1 PHE 105 -4.443 11.818 -8.944 665 HE2 PHE 105 HE2 PHE 105 -1.387 10.007 -11.264 666 HZ PHE 105 HZ PHE 105 -2.174 11.859 -9.867 667 H LYS 106 H LYS 106 -8.205 6.200 -10.987 668 HA LYS 106 HA LYS 106 -9.911 8.219 -11.257 669 2HB LYS 106 2HB LYS 106 -10.645 5.391 -10.441 670 2HG LYS 106 2HG LYS 106 -12.249 7.250 -12.220 671 2HD LYS 106 2HD LYS 106 -12.494 4.562 -11.552 672 2HE LYS 106 2HE LYS 106 -13.455 6.009 -9.293 673 1HZ LYS 106 1HZ LYS 106 -15.650 4.904 -10.965 674 2HZ LYS 106 2HZ LYS 106 -15.815 5.290 -9.391 675 H ILE 107 H ILE 107 -9.153 6.519 -8.210 676 HA ILE 107 HA ILE 107 -11.161 7.204 -6.581 677 HB ILE 107 HB ILE 107 -9.326 5.946 -5.792 678 2HG1 ILE 107 2HG1 ILE 107 -10.005 8.472 -4.390 679 1HG2 ILE 107 1HG2 ILE 107 -7.115 6.496 -5.863 680 2HG2 ILE 107 2HG2 ILE 107 -7.692 7.438 -7.259 681 3HG2 ILE 107 3HG2 ILE 107 -7.422 8.241 -5.693 682 1HD1 ILE 107 1HD1 ILE 107 -11.352 6.967 -3.372 683 2HD1 ILE 107 2HD1 ILE 107 -10.586 5.635 -4.272 684 3HD1 ILE 107 3HD1 ILE 107 -9.906 6.163 -2.714 685 H THR 108 H THR 108 -8.762 9.404 -8.040 686 HA THR 108 HA THR 108 -10.389 11.636 -7.064 687 HB THR 108 HB THR 108 -8.271 12.849 -6.490 688 HG1 THR 108 HG1 THR 108 -6.938 11.573 -7.987 689 1HG2 THR 108 1HG2 THR 108 -7.513 11.436 -4.559 690 2HG2 THR 108 2HG2 THR 108 -9.288 11.530 -4.634 691 3HG2 THR 108 3HG2 THR 108 -8.449 10.069 -5.209 692 H ASP 109 H ASP 109 -7.820 10.456 -9.303 693 HA ASP 109 HA ASP 109 -7.551 12.486 -10.956 694 2HB ASP 109 2HB ASP 109 -7.794 9.522 -11.397 695 HD2 ASP 109 HD2 ASP 109 -9.034 9.162 -13.331 Start of MODEL 4 1 1H MET 1 1H MET 1 8.153 16.115 -4.422 2 HA MET 1 HA MET 1 6.065 14.698 -5.422 3 2HB MET 1 2HB MET 1 7.848 13.244 -6.432 4 2HG MET 1 2HG MET 1 9.332 15.815 -6.368 5 1HE MET 1 1HE MET 1 6.641 15.652 -8.991 6 2HE MET 1 2HE MET 1 7.073 14.281 -10.040 7 3HE MET 1 3HE MET 1 6.482 13.985 -8.387 8 H SER 2 H SER 2 4.887 14.044 -3.400 9 HA SER 2 HA SER 2 5.950 11.492 -2.478 10 2HB SER 2 2HB SER 2 5.913 12.208 -0.339 11 HG SER 2 HG SER 2 6.368 14.343 -1.303 12 H GLU 3 H GLU 3 4.607 9.855 -3.131 13 HA GLU 3 HA GLU 3 1.766 10.320 -2.943 14 2HB GLU 3 2HB GLU 3 2.229 10.925 -5.264 15 2HG GLU 3 2HG GLU 3 3.213 8.165 -5.928 16 HE2 GLU 3 HE2 GLU 3 3.398 11.646 -7.792 17 H VAL 4 H VAL 4 0.756 8.548 -2.060 18 HA VAL 4 HA VAL 4 2.304 6.048 -2.076 19 HB VAL 4 HB VAL 4 2.250 6.970 0.121 20 1HG1 VAL 4 1HG1 VAL 4 -0.389 7.869 -0.652 21 2HG1 VAL 4 2HG1 VAL 4 -0.458 7.002 0.901 22 3HG1 VAL 4 3HG1 VAL 4 0.634 8.393 0.707 23 1HG2 VAL 4 1HG2 VAL 4 2.064 4.683 0.371 24 2HG2 VAL 4 2HG2 VAL 4 0.622 5.234 1.256 25 3HG2 VAL 4 3HG2 VAL 4 0.464 4.614 -0.405 26 H ASN 5 H ASN 5 1.397 4.387 -3.172 27 HA ASN 5 HA ASN 5 -1.495 4.504 -3.499 28 2HB ASN 5 2HB ASN 5 -1.328 3.889 -5.800 29 1HD2 ASN 5 1HD2 ASN 5 1.980 4.579 -6.018 30 2HD2 ASN 5 2HD2 ASN 5 1.906 6.272 -6.373 31 H ILE 6 H ILE 6 -2.399 2.648 -2.595 32 HA ILE 6 HA ILE 6 -0.849 0.173 -2.781 33 HB ILE 6 HB ILE 6 -1.455 1.669 -0.386 34 2HG1 ILE 6 2HG1 ILE 6 0.196 -0.752 -1.108 35 1HG2 ILE 6 1HG2 ILE 6 -2.653 -1.092 -0.633 36 2HG2 ILE 6 2HG2 ILE 6 -2.183 -0.384 0.931 37 3HG2 ILE 6 3HG2 ILE 6 -3.421 0.412 -0.069 38 1HD1 ILE 6 1HD1 ILE 6 1.444 1.084 -1.758 39 2HD1 ILE 6 2HD1 ILE 6 0.616 2.180 -0.625 40 3HD1 ILE 6 3HD1 ILE 6 1.875 1.070 -0.031 41 H VAL 7 H VAL 7 -2.062 -1.633 -3.285 42 HA VAL 7 HA VAL 7 -4.956 -1.397 -3.118 43 HB VAL 7 HB VAL 7 -4.209 -0.515 -5.338 44 1HG1 VAL 7 1HG1 VAL 7 -3.495 -3.384 -5.997 45 2HG1 VAL 7 2HG1 VAL 7 -3.261 -1.927 -6.993 46 3HG1 VAL 7 3HG1 VAL 7 -2.281 -2.170 -5.527 47 1HG2 VAL 7 1HG2 VAL 7 -5.675 -2.638 -6.448 48 2HG2 VAL 7 2HG2 VAL 7 -6.213 -2.531 -4.754 49 3HG2 VAL 7 3HG2 VAL 7 -6.311 -1.102 -5.813 50 H VAL 8 H VAL 8 -5.649 -3.191 -2.088 51 HA VAL 8 HA VAL 8 -4.216 -5.686 -2.666 52 HB VAL 8 HB VAL 8 -5.311 -5.401 0.046 53 1HG1 VAL 8 1HG1 VAL 8 -3.870 -7.282 -0.999 54 2HG1 VAL 8 2HG1 VAL 8 -2.501 -6.177 -0.731 55 3HG1 VAL 8 3HG1 VAL 8 -3.482 -6.730 0.647 56 1HG2 VAL 8 1HG2 VAL 8 -4.433 -3.109 -0.311 57 2HG2 VAL 8 2HG2 VAL 8 -3.517 -4.013 0.919 58 3HG2 VAL 8 3HG2 VAL 8 -2.844 -3.804 -0.715 59 H ASN 9 H ASN 9 -5.564 -7.225 -3.437 60 HA ASN 9 HA ASN 9 -8.328 -7.081 -2.555 61 2HB ASN 9 2HB ASN 9 -8.369 -8.073 -5.229 62 1HD2 ASN 9 1HD2 ASN 9 -10.519 -7.850 -4.802 63 2HD2 ASN 9 2HD2 ASN 9 -11.346 -6.331 -4.729 64 H GLY 10 H GLY 10 -8.815 -9.091 -1.661 65 1HA GLY 10 1HA GLY 10 -9.102 -11.411 -1.893 66 2HA GLY 10 2HA GLY 10 -7.698 -11.491 -2.938 67 H ARG 11 H ARG 11 -7.501 -9.453 -0.065 68 HA ARG 11 HA ARG 11 -5.961 -9.515 1.504 69 2HB ARG 11 2HB ARG 11 -6.412 -11.665 3.053 70 2HG ARG 11 2HG ARG 11 -7.251 -9.273 3.392 71 2HD ARG 11 2HD ARG 11 -8.687 -8.796 1.575 72 HE ARG 11 HE ARG 11 -9.487 -10.676 0.453 73 1HH1 ARG 11 1HH1 ARG 11 -10.173 -11.076 3.906 74 2HH1 ARG 11 2HH1 ARG 11 -11.049 -12.556 3.687 75 2HH2 ARG 11 2HH2 ARG 11 -11.311 -13.448 1.479 76 H GLU 12 H GLU 12 -4.393 -10.084 -0.506 77 HA GLU 12 HA GLU 12 -2.994 -12.519 0.282 78 2HB GLU 12 2HB GLU 12 -3.711 -13.155 -1.832 79 2HG GLU 12 2HG GLU 12 -4.752 -10.767 -2.175 80 HE2 GLU 12 HE2 GLU 12 -3.321 -8.403 -3.958 81 H ALA 13 H ALA 13 -0.611 -12.446 -0.010 82 HA ALA 13 HA ALA 13 0.353 -9.674 0.163 83 1HB ALA 13 1HB ALA 13 1.483 -10.295 2.008 84 2HB ALA 13 2HB ALA 13 0.569 -11.821 1.966 85 3HB ALA 13 3HB ALA 13 2.164 -11.719 1.184 86 H GLY 14 H GLY 14 2.234 -9.088 -1.012 87 1HA GLY 14 1HA GLY 14 3.526 -11.077 -2.683 88 2HA GLY 14 2HA GLY 14 2.550 -9.904 -3.545 89 H SER 15 H SER 15 4.052 -8.965 -0.479 90 HA SER 15 HA SER 15 6.332 -7.861 -1.826 91 2HB SER 15 2HB SER 15 4.394 -6.030 -0.342 92 HG SER 15 HG SER 15 6.643 -5.343 -0.345 93 H LYS 16 H LYS 16 7.868 -6.823 -0.168 94 HA LYS 16 HA LYS 16 8.000 -8.528 2.101 95 2HB LYS 16 2HB LYS 16 9.887 -7.441 0.633 96 2HG LYS 16 2HG LYS 16 9.423 -5.374 2.835 97 2HD LYS 16 2HD LYS 16 11.868 -6.106 2.408 98 2HE LYS 16 2HE LYS 16 11.665 -4.412 -0.089 99 1HZ LYS 16 1HZ LYS 16 13.454 -6.661 0.056 100 2HZ LYS 16 2HZ LYS 16 13.789 -5.108 -0.302 101 H SER 17 H SER 17 6.066 -5.882 1.437 102 HA SER 17 HA SER 17 6.271 -4.196 3.514 103 2HB SER 17 2HB SER 17 4.634 -3.997 1.653 104 HG SER 17 HG SER 17 2.738 -5.580 3.044 105 H LYS 18 H LYS 18 5.005 -7.538 3.492 106 HA LYS 18 HA LYS 18 3.638 -7.545 5.884 107 2HB LYS 18 2HB LYS 18 4.039 -9.971 5.873 108 2HG LYS 18 2HG LYS 18 3.171 -10.428 3.572 109 2HD LYS 18 2HD LYS 18 1.653 -7.987 3.937 110 2HE LYS 18 2HE LYS 18 1.292 -10.911 4.005 111 1HZ LYS 18 1HZ LYS 18 -0.872 -10.489 5.336 112 2HZ LYS 18 2HZ LYS 18 0.500 -10.730 6.180 113 H GLY 19 H GLY 19 7.065 -7.214 5.231 114 1HA GLY 19 1HA GLY 19 8.057 -8.171 7.706 115 2HA GLY 19 2HA GLY 19 8.870 -7.109 6.574 116 H CYS 20 H CYS 20 9.343 -5.089 7.313 117 HA CYS 20 HA CYS 20 7.458 -3.895 9.196 118 2HB CYS 20 2HB CYS 20 9.086 -3.294 10.758 119 HG CYS 20 HG CYS 20 8.407 -5.754 11.066 120 H ALA 21 H ALA 21 7.840 -1.437 9.304 121 HA ALA 21 HA ALA 21 7.853 -0.369 6.744 122 1HB ALA 21 1HB ALA 21 6.754 0.934 8.312 123 2HB ALA 21 2HB ALA 21 8.006 0.688 9.554 124 3HB ALA 21 3HB ALA 21 8.300 1.807 8.201 125 H LEU 22 H LEU 22 10.404 -0.158 9.332 126 HA LEU 22 HA LEU 22 12.279 1.152 7.785 127 2HB LEU 22 2HB LEU 22 13.867 -0.176 9.431 128 HG LEU 22 HG LEU 22 12.590 1.313 11.360 129 1HD1 LEU 22 1HD1 LEU 22 14.215 3.175 10.299 130 2HD1 LEU 22 2HD1 LEU 22 14.798 1.779 11.236 131 3HD1 LEU 22 3HD1 LEU 22 14.828 1.731 9.458 132 1HD2 LEU 22 1HD2 LEU 22 11.656 3.269 10.457 133 2HD2 LEU 22 2HD2 LEU 22 12.222 2.888 8.812 134 3HD2 LEU 22 3HD2 LEU 22 10.909 1.936 9.546 135 H CYS 23 H CYS 23 12.061 -2.417 8.460 136 HA CYS 23 HA CYS 23 13.048 -2.849 5.762 137 2HB CYS 23 2HB CYS 23 14.311 -4.602 7.792 138 HG CYS 23 HG CYS 23 15.513 -2.743 5.335 139 H GLY 24 H GLY 24 12.895 -5.385 5.333 140 1HA GLY 24 1HA GLY 24 10.745 -6.603 6.919 141 2HA GLY 24 2HA GLY 24 10.485 -6.346 5.206 142 H ALA 25 H ALA 25 12.161 -8.244 7.655 143 HA ALA 25 HA ALA 25 13.402 -9.841 5.523 144 1HB ALA 25 1HB ALA 25 14.192 -10.242 8.363 145 2HB ALA 25 2HB ALA 25 15.196 -10.161 6.896 146 3HB ALA 25 3HB ALA 25 14.614 -8.663 7.660 147 H THR 26 H THR 26 10.707 -9.631 7.538 148 HA THR 26 HA THR 26 10.534 -12.555 7.812 149 HB THR 26 HB THR 26 10.378 -10.972 9.859 150 HG1 THR 26 HG1 THR 26 9.514 -13.138 9.877 151 1HG2 THR 26 1HG2 THR 26 7.752 -10.365 10.013 152 2HG2 THR 26 2HG2 THR 26 8.929 -9.193 9.375 153 3HG2 THR 26 3HG2 THR 26 7.949 -10.168 8.254 154 H TRP 27 H TRP 27 7.974 -13.153 7.845 155 HA TRP 27 HA TRP 27 6.610 -11.787 5.692 156 2HB TRP 27 2HB TRP 27 8.255 -13.590 4.763 157 HD1 TRP 27 HD1 TRP 27 5.252 -15.640 4.027 158 HE1 TRP 27 HE1 TRP 27 5.368 -18.072 5.044 159 HE3 TRP 27 HE3 TRP 27 9.181 -14.726 7.123 160 HZ2 TRP 27 HZ2 TRP 27 7.053 -19.313 6.984 161 HZ3 TRP 27 HZ3 TRP 27 10.000 -16.603 8.545 162 HH2 TRP 27 HH2 TRP 27 9.002 -18.833 8.511 163 H GLY 28 H GLY 28 4.321 -12.462 5.615 164 1HA GLY 28 1HA GLY 28 3.177 -14.440 7.183 165 2HA GLY 28 2HA GLY 28 3.278 -13.013 8.195 166 H ASP 29 H ASP 29 1.187 -14.649 6.266 167 HA ASP 29 HA ASP 29 0.119 -12.323 4.938 168 2HB ASP 29 2HB ASP 29 -1.089 -15.114 4.966 169 HD2 ASP 29 HD2 ASP 29 -1.885 -12.336 2.199 170 H TYR 30 H TYR 30 -0.038 -13.881 7.955 171 HA TYR 30 HA TYR 30 -2.863 -13.671 8.401 172 2HB TYR 30 2HB TYR 30 -2.078 -14.315 10.720 173 HD1 TYR 30 HD1 TYR 30 0.881 -15.448 8.862 174 HD2 TYR 30 HD2 TYR 30 -3.161 -16.368 9.921 175 HE1 TYR 30 HE1 TYR 30 1.222 -17.852 8.107 176 HE2 TYR 30 HE2 TYR 30 -2.806 -18.768 9.162 177 HH TYR 30 HH TYR 30 -0.282 -20.240 8.971 178 H HIS 31 H HIS 31 -0.526 -11.339 7.984 179 HA HIS 31 HA HIS 31 -1.681 -9.638 10.068 180 2HB HIS 31 2HB HIS 31 0.311 -8.514 10.249 181 HD1 HIS 31 HD1 HIS 31 0.338 -10.825 11.847 182 HD2 HIS 31 HD2 HIS 31 2.696 -10.777 8.378 183 HE1 HIS 31 HE1 HIS 31 2.090 -12.656 12.148 184 H ALA 32 H ALA 32 -1.684 -7.191 9.317 185 HA ALA 32 HA ALA 32 -2.673 -7.129 6.549 186 1HB ALA 32 1HB ALA 32 -3.824 -5.931 9.089 187 2HB ALA 32 2HB ALA 32 -4.267 -5.338 7.470 188 3HB ALA 32 3HB ALA 32 -4.613 -7.024 7.926 189 H ASP 33 H ASP 33 -1.678 -5.645 5.264 190 HA ASP 33 HA ASP 33 0.161 -3.863 6.612 191 2HB ASP 33 2HB ASP 33 1.509 -4.352 4.860 192 HD2 ASP 33 HD2 ASP 33 0.266 -6.739 2.296 193 H PHE 34 H PHE 34 0.360 -1.578 5.505 194 HA PHE 34 HA PHE 34 -2.302 -0.689 4.641 195 2HB PHE 34 2HB PHE 34 -2.054 1.182 6.121 196 HD1 PHE 34 HD1 PHE 34 -3.203 -1.070 7.135 197 HD2 PHE 34 HD2 PHE 34 0.660 0.403 8.091 198 HE1 PHE 34 HE1 PHE 34 -3.278 -2.295 9.323 199 HE2 PHE 34 HE2 PHE 34 0.586 -0.823 10.280 200 HZ PHE 34 HZ PHE 34 -1.383 -2.156 10.871 201 H LEU 35 H LEU 35 -1.950 1.789 3.779 202 HA LEU 35 HA LEU 35 -0.604 1.520 1.376 203 2HB LEU 35 2HB LEU 35 -1.438 3.551 0.896 204 HG LEU 35 HG LEU 35 -2.854 3.336 3.563 205 1HD1 LEU 35 1HD1 LEU 35 -3.169 5.469 2.440 206 2HD1 LEU 35 2HD1 LEU 35 -3.651 4.635 0.944 207 3HD1 LEU 35 3HD1 LEU 35 -4.670 4.514 2.397 208 1HD2 LEU 35 1HD2 LEU 35 -4.225 1.699 2.818 209 2HD2 LEU 35 2HD2 LEU 35 -4.127 2.227 1.121 210 3HD2 LEU 35 3HD2 LEU 35 -2.801 1.279 1.837 211 H GLY 36 H GLY 36 0.620 2.050 4.564 212 1HA GLY 36 1HA GLY 36 2.952 3.544 3.831 213 2HA GLY 36 2HA GLY 36 2.624 2.747 5.357 214 H GLU 37 H GLU 37 2.034 0.515 2.863 215 HA GLU 37 HA GLU 37 3.032 -1.379 2.407 216 2HB GLU 37 2HB GLU 37 5.358 0.495 1.783 217 2HG GLU 37 2HG GLU 37 4.762 -1.986 0.200 218 HE2 GLU 37 HE2 GLU 37 7.192 -0.274 1.995 219 H ASP 38 H ASP 38 2.966 -1.337 5.068 220 HA ASP 38 HA ASP 38 5.495 -2.526 5.744 221 2HB ASP 38 2HB ASP 38 5.614 -0.100 6.464 222 HD2 ASP 38 HD2 ASP 38 3.605 -0.089 9.678 223 H LEU 39 H LEU 39 5.185 -3.434 8.207 224 HA LEU 39 HA LEU 39 2.384 -4.134 8.640 225 2HB LEU 39 2HB LEU 39 4.564 -6.215 8.657 226 HG LEU 39 HG LEU 39 2.336 -7.557 8.015 227 1HD1 LEU 39 1HD1 LEU 39 3.519 -8.517 9.704 228 2HD1 LEU 39 2HD1 LEU 39 3.690 -6.993 10.609 229 3HD1 LEU 39 3HD1 LEU 39 2.150 -7.884 10.650 230 1HD2 LEU 39 1HD2 LEU 39 0.957 -5.467 8.228 231 2HD2 LEU 39 2HD2 LEU 39 0.405 -6.844 9.212 232 3HD2 LEU 39 3HD2 LEU 39 1.292 -5.503 9.976 233 H PHE 40 H PHE 40 1.871 -3.602 10.688 234 HA PHE 40 HA PHE 40 4.082 -3.458 12.600 235 2HB PHE 40 2HB PHE 40 2.218 -1.597 11.855 236 HD1 PHE 40 HD1 PHE 40 0.173 -3.421 11.608 237 HD2 PHE 40 HD2 PHE 40 1.333 -1.398 15.153 238 HE1 PHE 40 HE1 PHE 40 -2.135 -3.737 12.542 239 HE2 PHE 40 HE2 PHE 40 -0.976 -1.715 16.088 240 HZ PHE 40 HZ PHE 40 -2.682 -2.880 14.771 241 H PHE 41 H PHE 41 2.430 -5.918 11.677 242 HA PHE 41 HA PHE 41 1.290 -6.587 14.293 243 2HB PHE 41 2HB PHE 41 0.789 -8.527 12.184 244 HD1 PHE 41 HD1 PHE 41 -1.270 -5.512 12.240 245 HD2 PHE 41 HD2 PHE 41 -0.664 -9.343 13.963 246 HE1 PHE 41 HE1 PHE 41 -3.563 -5.417 13.257 247 HE2 PHE 41 HE2 PHE 41 -2.957 -9.247 14.980 248 HZ PHE 41 HZ PHE 41 -4.380 -7.285 14.615 249 H CYS 42 H CYS 42 4.147 -6.849 12.614 250 HA CYS 42 HA CYS 42 4.599 -9.608 13.447 251 2HB CYS 42 2HB CYS 42 5.665 -7.907 11.276 252 HG CYS 42 HG CYS 42 7.931 -7.767 12.105 253 H CYS 43 H CYS 43 6.279 -6.372 13.368 254 HA CYS 43 HA CYS 43 7.613 -7.156 15.848 255 2HB CYS 43 2HB CYS 43 8.880 -4.860 15.020 256 HG CYS 43 HG CYS 43 9.297 -8.051 14.240 257 H ASP 44 H ASP 44 6.045 -4.347 14.142 258 HA ASP 44 HA ASP 44 4.813 -2.712 14.855 259 2HB ASP 44 2HB ASP 44 3.146 -3.277 16.305 260 HD2 ASP 44 HD2 ASP 44 2.857 -6.607 17.435 261 H ILE 45 H ILE 45 7.796 -3.263 15.773 262 HA ILE 45 HA ILE 45 7.862 -1.376 18.014 263 HB ILE 45 HB ILE 45 9.764 -3.496 17.044 264 2HG1 ILE 45 2HG1 ILE 45 9.403 -4.531 19.122 265 1HG2 ILE 45 1HG2 ILE 45 10.977 -1.351 17.553 266 2HG2 ILE 45 2HG2 ILE 45 10.373 -1.486 19.221 267 3HG2 ILE 45 3HG2 ILE 45 11.439 -2.746 18.556 268 1HD1 ILE 45 1HD1 ILE 45 8.234 -1.851 19.953 269 2HD1 ILE 45 2HD1 ILE 45 7.873 -3.346 20.849 270 3HD1 ILE 45 3HD1 ILE 45 9.552 -2.769 20.722 271 H CYS 46 H CYS 46 9.753 -2.198 15.015 272 HA CYS 46 HA CYS 46 10.583 0.569 14.893 273 2HB CYS 46 2HB CYS 46 12.335 -1.020 14.525 274 HG CYS 46 HG CYS 46 10.303 -2.090 12.135 275 H ALA 47 H ALA 47 8.005 -1.424 13.868 276 HA ALA 47 HA ALA 47 7.583 0.114 11.415 277 1HB ALA 47 1HB ALA 47 6.423 -1.699 10.632 278 2HB ALA 47 2HB ALA 47 7.424 -2.553 11.830 279 3HB ALA 47 3HB ALA 47 5.752 -2.097 12.232 280 H ALA 48 H ALA 48 5.135 0.657 11.040 281 HA ALA 48 HA ALA 48 3.244 1.635 11.697 282 1HB ALA 48 1HB ALA 48 2.320 0.779 13.558 283 2HB ALA 48 2HB ALA 48 3.886 0.019 13.929 284 3HB ALA 48 3HB ALA 48 3.499 1.626 14.588 285 H GLU 49 H GLU 49 4.882 3.335 10.765 286 HA GLU 49 HA GLU 49 5.854 5.140 12.759 287 2HB GLU 49 2HB GLU 49 6.404 6.484 10.542 288 2HG GLU 49 2HG GLU 49 8.331 4.787 10.106 289 HE2 GLU 49 HE2 GLU 49 8.358 7.623 12.020 290 H PHE 50 H PHE 50 5.058 7.241 13.202 291 HA PHE 50 HA PHE 50 2.275 7.570 12.653 292 2HB PHE 50 2HB PHE 50 3.392 9.935 13.775 293 HD1 PHE 50 HD1 PHE 50 2.156 10.549 15.642 294 HD2 PHE 50 HD2 PHE 50 2.593 6.425 14.740 295 HE1 PHE 50 HE1 PHE 50 0.526 9.978 17.463 296 HE2 PHE 50 HE2 PHE 50 0.963 5.855 16.561 297 HZ PHE 50 HZ PHE 50 -0.051 7.637 17.902 298 H MET 51 H MET 51 5.103 8.257 10.898 299 HA MET 51 HA MET 51 4.412 10.807 9.938 300 2HB MET 51 2HB MET 51 6.142 10.140 8.124 301 2HG MET 51 2HG MET 51 7.772 9.418 10.336 302 1HE MET 51 1HE MET 51 8.007 13.504 10.851 303 2HE MET 51 2HE MET 51 6.488 13.502 9.923 304 3HE MET 51 3HE MET 51 6.679 12.416 11.321 305 H ASN 52 H ASN 52 2.895 7.836 9.522 306 HA ASN 52 HA ASN 52 2.196 8.382 6.766 307 2HB ASN 52 2HB ASN 52 1.087 6.113 6.889 308 1HD2 ASN 52 1HD2 ASN 52 2.885 6.557 5.342 309 2HD2 ASN 52 2HD2 ASN 52 4.396 5.745 5.585 310 H MET 53 H MET 53 -0.316 7.843 6.327 311 HA MET 53 HA MET 53 -1.761 9.557 8.111 312 2HB MET 53 2HB MET 53 -3.466 8.386 6.104 313 2HG MET 53 2HG MET 53 -3.286 10.663 5.057 314 1HE MET 53 1HE MET 53 -3.279 13.148 6.783 315 2HE MET 53 2HE MET 53 -4.780 12.720 5.926 316 3HE MET 53 3HE MET 53 -4.833 13.155 7.651 317 H MET 54 H MET 54 -4.002 8.935 8.888 318 HA MET 54 HA MET 54 -3.829 6.560 10.328 319 2HB MET 54 2HB MET 54 -6.571 7.607 9.954 320 2HG MET 54 2HG MET 54 -4.670 7.817 12.338 321 1HE MET 54 1HE MET 54 -8.994 6.935 12.667 322 2HE MET 54 2HE MET 54 -7.540 5.919 12.519 323 3HE MET 54 3HE MET 54 -7.995 6.599 14.099 324 H ASP 55 H ASP 55 -5.365 7.426 7.219 325 HA ASP 55 HA ASP 55 -7.168 5.505 6.875 326 2HB ASP 55 2HB ASP 55 -6.410 5.485 4.418 327 HD2 ASP 55 HD2 ASP 55 -5.565 8.773 5.135 328 H GLU 56 H GLU 56 -3.589 5.223 6.815 329 HA GLU 56 HA GLU 56 -3.195 2.873 5.601 330 2HB GLU 56 2HB GLU 56 -1.512 2.728 7.853 331 2HG GLU 56 2HG GLU 56 -1.189 2.920 5.166 332 HE2 GLU 56 HE2 GLU 56 0.384 4.309 4.084 333 H ALA 57 H ALA 57 -3.995 3.298 9.124 334 HA ALA 57 HA ALA 57 -4.159 0.547 9.647 335 1HB ALA 57 1HB ALA 57 -3.862 1.864 11.539 336 2HB ALA 57 2HB ALA 57 -5.022 3.098 10.992 337 3HB ALA 57 3HB ALA 57 -5.610 1.541 11.624 338 H PHE 58 H PHE 58 -6.704 3.055 8.994 339 HA PHE 58 HA PHE 58 -8.921 1.540 9.205 340 2HB PHE 58 2HB PHE 58 -8.791 3.197 6.727 341 HD1 PHE 58 HD1 PHE 58 -9.813 3.123 10.312 342 HD2 PHE 58 HD2 PHE 58 -10.826 4.242 6.346 343 HE1 PHE 58 HE1 PHE 58 -12.106 3.788 11.084 344 HE2 PHE 58 HE2 PHE 58 -13.119 4.906 7.118 345 HZ PHE 58 HZ PHE 58 -13.731 4.672 9.479 346 H LYS 59 H LYS 59 -6.749 1.771 6.312 347 HA LYS 59 HA LYS 59 -8.173 0.314 4.529 348 2HB LYS 59 2HB LYS 59 -5.385 1.037 4.949 349 2HG LYS 59 2HG LYS 59 -6.076 -1.663 3.749 350 2HD LYS 59 2HD LYS 59 -3.517 -0.132 3.141 351 2HE LYS 59 2HE LYS 59 -3.172 -2.463 2.807 352 1HZ LYS 59 1HZ LYS 59 -5.337 -3.353 3.045 353 2HZ LYS 59 2HZ LYS 59 -5.960 -2.493 1.809 354 H HIS 60 H HIS 60 -6.028 -0.951 7.155 355 HA HIS 60 HA HIS 60 -6.149 -3.595 6.578 356 2HB HIS 60 2HB HIS 60 -5.305 -1.998 8.704 357 HD1 HIS 60 HD1 HIS 60 -7.112 -1.293 10.442 358 HD2 HIS 60 HD2 HIS 60 -6.613 -5.441 10.063 359 HE1 HIS 60 HE1 HIS 60 -8.338 -2.344 12.418 360 H THR 61 H THR 61 -8.502 -1.734 8.632 361 HA THR 61 HA THR 61 -10.233 -3.843 9.120 362 HB THR 61 HB THR 61 -10.466 -0.812 8.987 363 HG1 THR 61 HG1 THR 61 -11.117 -2.477 11.213 364 1HG2 THR 61 1HG2 THR 61 -12.648 -2.879 9.470 365 2HG2 THR 61 2HG2 THR 61 -12.663 -1.330 10.349 366 3HG2 THR 61 3HG2 THR 61 -12.754 -1.346 8.571 367 H ALA 62 H ALA 62 -9.889 -1.755 6.246 368 HA ALA 62 HA ALA 62 -12.326 -2.682 5.084 369 1HB ALA 62 1HB ALA 62 -11.570 -1.403 3.147 370 2HB ALA 62 2HB ALA 62 -11.283 -0.459 4.628 371 3HB ALA 62 3HB ALA 62 -9.929 -1.289 3.826 372 H ARG 63 H ARG 63 -8.796 -3.382 4.673 373 HA ARG 63 HA ARG 63 -9.297 -5.303 2.685 374 2HB ARG 63 2HB ARG 63 -6.819 -4.987 4.452 375 2HG ARG 63 2HG ARG 63 -6.513 -5.708 1.604 376 2HD ARG 63 2HD ARG 63 -5.593 -7.058 4.189 377 HE ARG 63 HE ARG 63 -5.134 -7.688 1.375 378 1HH1 ARG 63 1HH1 ARG 63 -3.685 -7.802 4.605 379 2HH1 ARG 63 2HH1 ARG 63 -2.604 -9.096 4.211 380 2HH2 ARG 63 2HH2 ARG 63 -2.635 -10.018 1.998 381 H HIS 64 H HIS 64 -10.351 -5.390 5.732 382 HA HIS 64 HA HIS 64 -9.293 -7.906 6.595 383 2HB HIS 64 2HB HIS 64 -11.609 -6.277 7.678 384 HD1 HIS 64 HD1 HIS 64 -9.590 -9.403 8.059 385 HD2 HIS 64 HD2 HIS 64 -12.166 -7.045 10.384 386 HE1 HIS 64 HE1 HIS 64 -10.205 -10.810 10.098 387 H ASN 65 H ASN 65 -12.522 -6.668 5.476 388 HA ASN 65 HA ASN 65 -13.143 -9.444 4.836 389 2HB ASN 65 2HB ASN 65 -14.839 -8.787 6.345 390 1HD2 ASN 65 1HD2 ASN 65 -14.128 -7.169 7.684 391 2HD2 ASN 65 2HD2 ASN 65 -14.536 -5.499 7.479 392 H VAL 66 H VAL 66 -13.763 -5.977 3.887 393 HA VAL 66 HA VAL 66 -14.253 -6.851 1.150 394 HB VAL 66 HB VAL 66 -15.092 -4.608 0.815 395 1HG1 VAL 66 1HG1 VAL 66 -16.249 -6.554 2.420 396 2HG1 VAL 66 2HG1 VAL 66 -16.450 -5.061 3.367 397 3HG1 VAL 66 3HG1 VAL 66 -17.076 -5.150 1.704 398 1HG2 VAL 66 1HG2 VAL 66 -13.565 -4.046 3.235 399 2HG2 VAL 66 2HG2 VAL 66 -14.184 -2.934 1.991 400 3HG2 VAL 66 3HG2 VAL 66 -15.232 -3.433 3.341 401 H ASP 67 H ASP 67 -13.416 -4.312 -0.041 402 HA ASP 67 HA ASP 67 -10.554 -4.433 0.453 403 2HB ASP 67 2HB ASP 67 -11.305 -5.778 -1.611 404 HD2 ASP 67 HD2 ASP 67 -13.421 -4.987 -2.056 405 H GLU 68 H GLU 68 -9.526 -2.357 0.239 406 HA GLU 68 HA GLU 68 -11.191 -0.216 -0.782 407 2HB GLU 68 2HB GLU 68 -10.029 1.067 1.335 408 2HG GLU 68 2HG GLU 68 -12.613 -0.528 1.617 409 HE2 GLU 68 HE2 GLU 68 -13.029 -0.150 3.673 410 H LEU 69 H LEU 69 -10.017 1.453 -1.812 411 HA LEU 69 HA LEU 69 -7.105 1.242 -1.664 412 2HB LEU 69 2HB LEU 69 -7.008 0.325 -3.663 413 HG LEU 69 HG LEU 69 -8.898 0.130 -5.274 414 1HD1 LEU 69 1HD1 LEU 69 -8.546 -1.175 -2.765 415 2HD1 LEU 69 2HD1 LEU 69 -10.292 -1.044 -3.084 416 3HD1 LEU 69 3HD1 LEU 69 -9.225 -1.822 -4.277 417 1HD2 LEU 69 1HD2 LEU 69 -10.003 2.233 -3.838 418 2HD2 LEU 69 2HD2 LEU 69 -10.808 1.259 -5.093 419 3HD2 LEU 69 3HD2 LEU 69 -10.995 0.829 -3.376 420 H HIS 70 H HIS 70 -6.122 3.198 -1.428 421 HA HIS 70 HA HIS 70 -7.551 5.549 -2.331 422 2HB HIS 70 2HB HIS 70 -7.142 6.664 -0.106 423 HD1 HIS 70 HD1 HIS 70 -8.720 4.576 2.034 424 HD2 HIS 70 HD2 HIS 70 -9.888 5.946 -1.755 425 HE1 HIS 70 HE1 HIS 70 -11.260 4.354 1.945 426 H ILE 71 H ILE 71 -6.163 7.232 -2.944 427 HA ILE 71 HA ILE 71 -3.327 6.822 -2.362 428 HB ILE 71 HB ILE 71 -2.937 6.144 -4.420 429 2HG1 ILE 71 2HG1 ILE 71 -3.905 8.921 -5.141 430 1HG2 ILE 71 1HG2 ILE 71 -5.234 5.347 -4.593 431 2HG2 ILE 71 2HG2 ILE 71 -5.761 6.944 -5.176 432 3HG2 ILE 71 3HG2 ILE 71 -4.653 5.957 -6.161 433 1HD1 ILE 71 1HD1 ILE 71 -1.470 7.784 -3.983 434 2HD1 ILE 71 2HD1 ILE 71 -1.131 8.594 -5.533 435 3HD1 ILE 71 3HD1 ILE 71 -1.917 9.492 -4.211 436 H ASP 72 H ASP 72 -2.312 8.672 -1.731 437 HA ASP 72 HA ASP 72 -3.525 11.169 -2.528 438 2HB ASP 72 2HB ASP 72 -2.674 10.820 0.355 439 HD2 ASP 72 HD2 ASP 72 -2.776 12.632 1.177 440 H GLY 73 H GLY 73 -1.918 12.843 -2.721 441 1HA GLY 73 1HA GLY 73 0.808 12.155 -1.819 442 2HA GLY 73 2HA GLY 73 0.502 12.641 -3.475 443 H ASN 74 H ASN 74 1.790 13.831 -0.766 444 HA ASN 74 HA ASN 74 0.919 16.503 -1.433 445 2HB ASN 74 2HB ASN 74 1.147 16.793 1.279 446 1HD2 ASN 74 1HD2 ASN 74 -0.123 18.461 0.446 447 2HD2 ASN 74 2HD2 ASN 74 -1.831 18.303 0.205 448 H TYR 75 H TYR 75 2.661 18.025 -1.188 449 HA TYR 75 HA TYR 75 5.262 16.891 -0.991 450 2HB TYR 75 2HB TYR 75 5.873 19.253 -1.456 451 HD1 TYR 75 HD1 TYR 75 6.029 18.184 -3.682 452 HD2 TYR 75 HD2 TYR 75 2.331 19.759 -2.217 453 HE1 TYR 75 HE1 TYR 75 5.064 18.122 -6.032 454 HE2 TYR 75 HE2 TYR 75 1.378 19.692 -4.573 455 HH TYR 75 HH TYR 75 2.548 17.924 -6.939 456 H GLN 76 H GLN 76 3.013 17.614 1.392 457 HA GLN 76 HA GLN 76 5.117 18.448 3.230 458 2HB GLN 76 2HB GLN 76 3.180 19.154 4.718 459 2HG GLN 76 2HG GLN 76 2.606 20.646 2.233 460 1HE2 GLN 76 1HE2 GLN 76 1.307 21.172 4.279 461 2HE2 GLN 76 2HE2 GLN 76 1.928 22.436 5.287 462 H LEU 77 H LEU 77 3.141 15.824 2.210 463 HA LEU 77 HA LEU 77 2.433 14.494 4.456 464 2HB LEU 77 2HB LEU 77 3.732 12.897 2.320 465 HG LEU 77 HG LEU 77 2.093 11.996 4.091 466 1HD1 LEU 77 1HD1 LEU 77 0.106 12.963 4.272 467 2HD1 LEU 77 2HD1 LEU 77 0.441 14.006 2.869 468 3HD1 LEU 77 3HD1 LEU 77 -0.289 12.399 2.630 469 1HD2 LEU 77 1HD2 LEU 77 2.605 11.300 1.404 470 2HD2 LEU 77 2HD2 LEU 77 2.031 10.253 2.724 471 3HD2 LEU 77 3HD2 LEU 77 0.859 11.073 1.665 472 H GLY 78 H GLY 78 5.614 13.987 2.760 473 1HA GLY 78 1HA GLY 78 7.416 14.378 4.649 474 2HA GLY 78 2HA GLY 78 6.702 12.890 5.238 475 H ARG 79 H ARG 79 6.973 13.771 1.767 476 HA ARG 79 HA ARG 79 7.852 12.697 0.100 477 2HB ARG 79 2HB ARG 79 10.194 12.765 0.033 478 2HG ARG 79 2HG ARG 79 10.127 14.076 2.734 479 2HD ARG 79 2HD ARG 79 10.855 15.372 0.099 480 HE ARG 79 HE ARG 79 11.035 16.416 2.526 481 1HH1 ARG 79 1HH1 ARG 79 13.651 14.836 0.733 482 2HH1 ARG 79 2HH1 ARG 79 14.902 15.752 1.506 483 2HH2 ARG 79 2HH2 ARG 79 14.310 17.385 3.157 484 H ASN 80 H ASN 80 6.161 10.956 1.253 485 HA ASN 80 HA ASN 80 7.711 8.505 1.554 486 2HB ASN 80 2HB ASN 80 4.973 8.125 2.378 487 1HD2 ASN 80 1HD2 ASN 80 5.526 8.812 5.156 488 2HD2 ASN 80 2HD2 ASN 80 6.712 7.694 5.742 489 H VAL 81 H VAL 81 7.592 7.282 -0.334 490 HA VAL 81 HA VAL 81 5.029 7.313 -1.770 491 HB VAL 81 HB VAL 81 6.519 8.621 -3.059 492 1HG1 VAL 81 1HG1 VAL 81 8.548 6.518 -2.348 493 2HG1 VAL 81 2HG1 VAL 81 8.744 7.469 -3.839 494 3HG1 VAL 81 3HG1 VAL 81 8.670 8.292 -2.263 495 1HG2 VAL 81 1HG2 VAL 81 5.852 5.895 -3.982 496 2HG2 VAL 81 2HG2 VAL 81 5.516 7.477 -4.725 497 3HG2 VAL 81 3HG2 VAL 81 7.113 6.720 -4.930 498 H LEU 82 H LEU 82 4.094 5.360 -1.456 499 HA LEU 82 HA LEU 82 5.871 3.027 -1.606 500 2HB LEU 82 2HB LEU 82 4.634 1.934 0.104 501 HG LEU 82 HG LEU 82 4.979 3.231 2.087 502 1HD1 LEU 82 1HD1 LEU 82 6.969 2.898 0.078 503 2HD1 LEU 82 2HD1 LEU 82 7.283 4.436 0.917 504 3HD1 LEU 82 3HD1 LEU 82 7.159 2.922 1.847 505 1HD2 LEU 82 1HD2 LEU 82 4.883 5.477 2.285 506 2HD2 LEU 82 2HD2 LEU 82 5.675 5.765 0.718 507 3HD2 LEU 82 3HD2 LEU 82 3.946 5.348 0.776 508 H LEU 83 H LEU 83 5.411 1.774 -3.326 509 HA LEU 83 HA LEU 83 2.659 1.916 -4.349 510 2HB LEU 83 2HB LEU 83 5.282 1.617 -5.812 511 HG LEU 83 HG LEU 83 3.324 0.241 -6.793 512 1HD1 LEU 83 1HD1 LEU 83 1.698 1.490 -8.111 513 2HD1 LEU 83 2HD1 LEU 83 1.564 1.898 -6.383 514 3HD1 LEU 83 3HD1 LEU 83 2.362 3.026 -7.504 515 1HD2 LEU 83 1HD2 LEU 83 4.976 2.283 -8.261 516 2HD2 LEU 83 2HD2 LEU 83 5.175 0.517 -8.167 517 3HD2 LEU 83 3HD2 LEU 83 3.852 1.212 -9.134 518 H LYS 84 H LYS 84 1.547 0.120 -3.813 519 HA LYS 84 HA LYS 84 3.021 -2.416 -3.956 520 2HB LYS 84 2HB LYS 84 0.776 -2.398 -2.078 521 2HG LYS 84 2HG LYS 84 3.731 -2.987 -1.625 522 2HD LYS 84 2HD LYS 84 1.654 -2.994 0.164 523 2HE LYS 84 2HE LYS 84 1.616 -5.791 0.235 524 1HZ LYS 84 1HZ LYS 84 -0.223 -3.674 -0.052 525 2HZ LYS 84 2HZ LYS 84 -0.694 -4.878 -1.042 526 H ASN 85 H ASN 85 2.245 -3.719 -5.518 527 HA ASN 85 HA ASN 85 -0.520 -3.241 -6.309 528 2HB ASN 85 2HB ASN 85 1.209 -2.767 -8.079 529 1HD2 ASN 85 1HD2 ASN 85 3.276 -3.346 -7.153 530 2HD2 ASN 85 2HD2 ASN 85 4.082 -4.796 -7.652 531 H GLY 86 H GLY 86 -1.892 -4.949 -5.781 532 1HA GLY 86 1HA GLY 86 -0.661 -7.608 -5.375 533 2HA GLY 86 2HA GLY 86 -2.028 -6.985 -4.473 534 H GLU 87 H GLU 87 -1.183 -9.072 -6.932 535 HA GLU 87 HA GLU 87 -3.801 -8.729 -8.175 536 2HB GLU 87 2HB GLU 87 -2.776 -9.745 -10.247 537 2HG GLU 87 2HG GLU 87 -2.026 -7.098 -9.075 538 HE2 GLU 87 HE2 GLU 87 0.413 -8.379 -11.993 539 H ASP 88 H ASP 88 -5.173 -10.407 -7.767 540 HA ASP 88 HA ASP 88 -3.906 -12.956 -7.132 541 2HB ASP 88 2HB ASP 88 -6.689 -12.186 -6.206 542 HD2 ASP 88 HD2 ASP 88 -6.450 -14.500 -6.617 543 H ARG 89 H ARG 89 -4.334 -14.452 -8.760 544 HA ARG 89 HA ARG 89 -6.967 -14.321 -9.968 545 2HB ARG 89 2HB ARG 89 -5.973 -14.762 -12.214 546 2HG ARG 89 2HG ARG 89 -4.278 -12.491 -11.771 547 2HD ARG 89 2HD ARG 89 -5.940 -12.940 -13.663 548 HE ARG 89 HE ARG 89 -8.133 -13.222 -12.927 549 1HH1 ARG 89 1HH1 ARG 89 -6.637 -10.670 -10.978 550 2HH1 ARG 89 2HH1 ARG 89 -8.093 -10.305 -10.113 551 2HH2 ARG 89 2HH2 ARG 89 -10.089 -11.537 -10.603 552 H LEU 90 H LEU 90 -7.844 -16.394 -10.524 553 HA LEU 90 HA LEU 90 -6.103 -18.696 -10.175 554 2HB LEU 90 2HB LEU 90 -7.979 -19.719 -8.742 555 HG LEU 90 HG LEU 90 -5.910 -17.787 -7.802 556 1HD1 LEU 90 1HD1 LEU 90 -6.604 -18.086 -5.446 557 2HD1 LEU 90 2HD1 LEU 90 -7.766 -17.134 -6.401 558 3HD1 LEU 90 3HD1 LEU 90 -8.117 -18.834 -6.011 559 1HD2 LEU 90 1HD2 LEU 90 -6.332 -20.471 -6.591 560 2HD2 LEU 90 2HD2 LEU 90 -5.827 -20.414 -8.298 561 3HD2 LEU 90 3HD2 LEU 90 -4.829 -19.633 -7.049 562 H ARG 91 H ARG 91 -7.152 -20.716 -11.001 563 HA ARG 91 HA ARG 91 -8.111 -20.356 -13.487 564 2HB ARG 91 2HB ARG 91 -9.282 -22.792 -12.515 565 2HG ARG 91 2HG ARG 91 -6.997 -21.913 -14.203 566 2HD ARG 91 2HD ARG 91 -6.788 -24.286 -12.412 567 HE ARG 91 HE ARG 91 -5.712 -24.822 -15.092 568 1HH1 ARG 91 1HH1 ARG 91 -8.433 -25.368 -12.888 569 2HH1 ARG 91 2HH1 ARG 91 -8.970 -26.796 -13.708 570 2HH2 ARG 91 2HH2 ARG 91 -7.773 -27.564 -15.636 571 H PHE 92 H PHE 92 -9.826 -20.136 -10.421 572 HA PHE 92 HA PHE 92 -12.418 -20.670 -11.358 573 2HB PHE 92 2HB PHE 92 -11.991 -18.635 -9.195 574 HD1 PHE 92 HD1 PHE 92 -12.168 -22.170 -8.382 575 HD2 PHE 92 HD2 PHE 92 -14.458 -18.698 -9.227 576 HE1 PHE 92 HE1 PHE 92 -14.205 -23.282 -7.426 577 HE2 PHE 92 HE2 PHE 92 -16.494 -19.811 -8.271 578 HZ PHE 92 HZ PHE 92 -16.344 -22.088 -7.382 579 H TYR 93 H TYR 93 -10.304 -17.820 -11.487 580 HA TYR 93 HA TYR 93 -12.491 -16.051 -12.136 581 2HB TYR 93 2HB TYR 93 -10.031 -14.833 -12.737 582 HD1 TYR 93 HD1 TYR 93 -9.435 -15.408 -9.361 583 HD2 TYR 93 HD2 TYR 93 -12.259 -13.487 -11.937 584 HE1 TYR 93 HE1 TYR 93 -10.149 -13.885 -7.454 585 HE2 TYR 93 HE2 TYR 93 -12.965 -11.972 -10.022 586 HH TYR 93 HH TYR 93 -12.498 -12.579 -6.979 587 H VAL 94 H VAL 94 -13.252 -15.618 -14.151 588 HA VAL 94 HA VAL 94 -11.705 -16.718 -16.384 589 HB VAL 94 HB VAL 94 -13.861 -16.588 -17.594 590 1HG1 VAL 94 1HG1 VAL 94 -14.294 -18.689 -16.947 591 2HG1 VAL 94 2HG1 VAL 94 -13.008 -18.465 -15.737 592 3HG1 VAL 94 3HG1 VAL 94 -14.708 -18.182 -15.292 593 1HG2 VAL 94 1HG2 VAL 94 -15.641 -16.427 -15.350 594 2HG2 VAL 94 2HG2 VAL 94 -14.622 -14.968 -15.385 595 3HG2 VAL 94 3HG2 VAL 94 -15.587 -15.414 -16.812 596 H LYS 95 H LYS 95 -12.065 -13.883 -14.690 597 HA LYS 95 HA LYS 95 -12.333 -12.137 -16.971 598 2HB LYS 95 2HB LYS 95 -11.821 -11.578 -14.034 599 2HG LYS 95 2HG LYS 95 -11.476 -9.885 -16.302 600 2HD LYS 95 2HD LYS 95 -13.217 -8.112 -15.653 601 2HE LYS 95 2HE LYS 95 -15.154 -9.614 -16.787 602 1HZ LYS 95 1HZ LYS 95 -12.780 -9.097 -18.443 603 2HZ LYS 95 2HZ LYS 95 -14.344 -8.797 -18.785 604 H PHE 96 H PHE 96 -9.823 -13.751 -15.113 605 HA PHE 96 HA PHE 96 -7.605 -13.516 -15.065 606 2HB PHE 96 2HB PHE 96 -7.814 -14.729 -17.144 607 HD1 PHE 96 HD1 PHE 96 -10.044 -14.824 -18.059 608 HD2 PHE 96 HD2 PHE 96 -7.511 -11.526 -18.905 609 HE1 PHE 96 HE1 PHE 96 -11.587 -14.113 -19.907 610 HE2 PHE 96 HE2 PHE 96 -9.055 -10.815 -20.753 611 HZ PHE 96 HZ PHE 96 -11.074 -12.118 -21.231 612 H GLY 97 H GLY 97 -8.676 -11.073 -14.278 613 1HA GLY 97 1HA GLY 97 -7.122 -9.069 -15.792 614 2HA GLY 97 2HA GLY 97 -8.519 -8.745 -14.786 615 HA PRO 98 HA PRO 98 -4.602 -9.382 -12.143 616 2HB PRO 98 2HB PRO 98 -2.737 -10.137 -13.261 617 2HG PRO 98 2HG PRO 98 -2.858 -9.968 -15.559 618 2HD PRO 98 2HD PRO 98 -5.139 -9.969 -15.849 619 H GLY 99 H GLY 99 -5.428 -7.966 -10.702 620 1HA GLY 99 1HA GLY 99 -5.985 -5.350 -11.096 621 2HA GLY 99 2HA GLY 99 -5.431 -6.010 -9.570 622 H ALA 100 H ALA 100 -4.624 -4.044 -12.347 623 HA ALA 100 HA ALA 100 -1.825 -3.893 -11.533 624 1HB ALA 100 1HB ALA 100 -3.051 -2.412 -13.857 625 2HB ALA 100 2HB ALA 100 -1.403 -3.059 -13.671 626 3HB ALA 100 3HB ALA 100 -2.763 -4.165 -13.977 627 H VAL 101 H VAL 101 -0.884 -1.566 -11.566 628 HA VAL 101 HA VAL 101 -1.887 -0.132 -9.501 629 HB VAL 101 HB VAL 101 -0.596 1.779 -10.479 630 1HG1 VAL 101 1HG1 VAL 101 0.342 -0.175 -9.092 631 2HG1 VAL 101 2HG1 VAL 101 1.000 -0.782 -10.630 632 3HG1 VAL 101 3HG1 VAL 101 1.499 0.813 -10.017 633 1HG2 VAL 101 1HG2 VAL 101 -1.133 0.944 -12.894 634 2HG2 VAL 101 2HG2 VAL 101 0.452 1.680 -12.552 635 3HG2 VAL 101 3HG2 VAL 101 0.297 -0.089 -12.664 636 H ILE 102 H ILE 102 -2.838 -0.006 -12.952 637 HA ILE 102 HA ILE 102 -4.244 2.319 -13.021 638 HB ILE 102 HB ILE 102 -4.363 -0.287 -14.403 639 2HG1 ILE 102 2HG1 ILE 102 -3.993 1.053 -16.348 640 1HG2 ILE 102 1HG2 ILE 102 -6.631 1.698 -14.711 641 2HG2 ILE 102 2HG2 ILE 102 -6.389 0.187 -15.619 642 3HG2 ILE 102 3HG2 ILE 102 -6.751 0.130 -13.877 643 1HD1 ILE 102 1HD1 ILE 102 -5.267 2.982 -16.338 644 2HD1 ILE 102 2HD1 ILE 102 -5.057 3.235 -14.589 645 3HD1 ILE 102 3HD1 ILE 102 -3.751 3.674 -15.714 646 H LYS 103 H LYS 103 -5.183 -0.818 -11.551 647 HA LYS 103 HA LYS 103 -7.844 -0.270 -11.085 648 2HB LYS 103 2HB LYS 103 -7.607 -1.926 -9.225 649 2HG LYS 103 2HG LYS 103 -6.045 -3.377 -11.165 650 2HD LYS 103 2HD LYS 103 -8.407 -3.717 -9.794 651 2HE LYS 103 2HE LYS 103 -9.193 -2.267 -12.075 652 1HZ LYS 103 1HZ LYS 103 -8.930 -4.138 -13.514 653 2HZ LYS 103 2HZ LYS 103 -9.613 -5.177 -12.463 654 H GLU 104 H GLU 104 -4.900 0.783 -9.333 655 HA GLU 104 HA GLU 104 -6.233 1.776 -7.111 656 2HB GLU 104 2HB GLU 104 -3.550 2.376 -8.395 657 2HG GLU 104 2HG GLU 104 -3.571 3.322 -5.710 658 HE2 GLU 104 HE2 GLU 104 -4.044 4.482 -9.031 659 H PHE 105 H PHE 105 -5.150 3.368 -10.186 660 HA PHE 105 HA PHE 105 -5.793 5.934 -9.679 661 2HB PHE 105 2HB PHE 105 -5.390 4.145 -11.910 662 HD1 PHE 105 HD1 PHE 105 -7.704 7.088 -11.884 663 HD2 PHE 105 HD2 PHE 105 -6.749 3.306 -13.558 664 HE1 PHE 105 HE1 PHE 105 -9.680 7.269 -13.422 665 HE2 PHE 105 HE2 PHE 105 -8.725 3.488 -15.095 666 HZ PHE 105 HZ PHE 105 -10.166 5.466 -15.009 667 H LYS 106 H LYS 106 -8.039 3.221 -10.320 668 HA LYS 106 HA LYS 106 -10.316 4.709 -10.856 669 2HB LYS 106 2HB LYS 106 -11.527 2.696 -10.404 670 2HG LYS 106 2HG LYS 106 -9.206 1.165 -11.204 671 2HD LYS 106 2HD LYS 106 -10.892 2.308 -13.346 672 2HE LYS 106 2HE LYS 106 -10.420 -0.500 -12.235 673 1HZ LYS 106 1HZ LYS 106 -12.093 0.489 -14.444 674 2HZ LYS 106 2HZ LYS 106 -11.351 -0.951 -14.613 675 H ILE 107 H ILE 107 -8.403 4.543 -8.002 676 HA ILE 107 HA ILE 107 -9.905 4.561 -5.862 677 HB ILE 107 HB ILE 107 -7.641 5.133 -5.680 678 2HG1 ILE 107 2HG1 ILE 107 -7.731 6.632 -3.960 679 1HG2 ILE 107 1HG2 ILE 107 -6.815 6.239 -7.456 680 2HG2 ILE 107 2HG2 ILE 107 -8.297 7.197 -7.692 681 3HG2 ILE 107 3HG2 ILE 107 -7.115 7.676 -6.450 682 1HD1 ILE 107 1HD1 ILE 107 -7.942 8.756 -4.905 683 2HD1 ILE 107 2HD1 ILE 107 -9.354 8.294 -5.883 684 3HD1 ILE 107 3HD1 ILE 107 -9.538 8.588 -4.137 685 H THR 108 H THR 108 -10.038 7.098 -8.401 686 HA THR 108 HA THR 108 -12.728 7.662 -7.913 687 HB THR 108 HB THR 108 -11.655 8.615 -5.775 688 HG1 THR 108 HG1 THR 108 -13.698 9.346 -6.841 689 1HG2 THR 108 1HG2 THR 108 -10.130 10.337 -5.876 690 2HG2 THR 108 2HG2 THR 108 -9.805 9.755 -7.526 691 3HG2 THR 108 3HG2 THR 108 -10.953 11.089 -7.263 692 H ASP 109 H ASP 109 -9.525 8.715 -9.090 693 HA ASP 109 HA ASP 109 -10.300 10.656 -10.808 694 2HB ASP 109 2HB ASP 109 -8.349 9.396 -12.272 695 HD2 ASP 109 HD2 ASP 109 -8.285 12.427 -11.281 Start of MODEL 5 1 1H MET 1 1H MET 1 4.357 16.498 -6.180 2 HA MET 1 HA MET 1 6.487 15.068 -6.274 3 2HB MET 1 2HB MET 1 6.008 15.988 -3.460 4 2HG MET 1 2HG MET 1 7.978 17.441 -4.010 5 1HE MET 1 1HE MET 1 10.184 17.003 -4.034 6 2HE MET 1 2HE MET 1 10.770 15.578 -3.145 7 3HE MET 1 3HE MET 1 10.901 15.637 -4.919 8 H SER 2 H SER 2 4.093 14.554 -3.583 9 HA SER 2 HA SER 2 5.309 11.922 -3.258 10 2HB SER 2 2HB SER 2 4.728 11.992 -0.917 11 HG SER 2 HG SER 2 6.574 13.370 -1.557 12 H GLU 3 H GLU 3 3.989 10.159 -3.639 13 HA GLU 3 HA GLU 3 1.141 10.545 -3.395 14 2HB GLU 3 2HB GLU 3 1.309 11.046 -5.706 15 2HG GLU 3 2HG GLU 3 2.751 8.741 -6.739 16 HE2 GLU 3 HE2 GLU 3 4.889 11.404 -7.895 17 H VAL 4 H VAL 4 0.152 8.737 -2.529 18 HA VAL 4 HA VAL 4 1.695 6.243 -2.620 19 HB VAL 4 HB VAL 4 1.174 7.892 -0.363 20 1HG1 VAL 4 1HG1 VAL 4 0.117 6.122 1.118 21 2HG1 VAL 4 2HG1 VAL 4 -0.976 6.929 -0.032 22 3HG1 VAL 4 3HG1 VAL 4 -0.375 5.289 -0.376 23 1HG2 VAL 4 1HG2 VAL 4 2.150 5.085 -0.043 24 2HG2 VAL 4 2HG2 VAL 4 3.082 6.176 -1.095 25 3HG2 VAL 4 3HG2 VAL 4 2.801 6.608 0.609 26 H ASN 5 H ASN 5 0.530 4.777 -3.744 27 HA ASN 5 HA ASN 5 -2.298 4.653 -3.152 28 2HB ASN 5 2HB ASN 5 -2.519 5.815 -5.194 29 1HD2 ASN 5 1HD2 ASN 5 -1.226 7.119 -6.224 30 2HD2 ASN 5 2HD2 ASN 5 0.219 6.709 -7.087 31 H ILE 6 H ILE 6 -2.779 2.492 -2.704 32 HA ILE 6 HA ILE 6 -1.374 0.429 -4.185 33 HB ILE 6 HB ILE 6 -0.393 -0.626 -2.416 34 2HG1 ILE 6 2HG1 ILE 6 -2.486 0.703 -0.729 35 1HG2 ILE 6 1HG2 ILE 6 0.847 1.382 -2.792 36 2HG2 ILE 6 2HG2 ILE 6 -0.258 2.328 -1.766 37 3HG2 ILE 6 3HG2 ILE 6 0.797 1.091 -1.037 38 1HD1 ILE 6 1HD1 ILE 6 -2.360 -1.761 -1.838 39 2HD1 ILE 6 2HD1 ILE 6 -1.444 -2.082 -0.346 40 3HD1 ILE 6 3HD1 ILE 6 -3.113 -1.470 -0.251 41 H VAL 7 H VAL 7 -2.832 -1.043 -4.873 42 HA VAL 7 HA VAL 7 -5.347 -1.189 -3.355 43 HB VAL 7 HB VAL 7 -5.601 -0.141 -5.536 44 1HG1 VAL 7 1HG1 VAL 7 -3.652 -1.976 -6.372 45 2HG1 VAL 7 2HG1 VAL 7 -5.140 -2.465 -7.216 46 3HG1 VAL 7 3HG1 VAL 7 -4.528 -0.801 -7.381 47 1HG2 VAL 7 1HG2 VAL 7 -7.585 -1.178 -5.104 48 2HG2 VAL 7 2HG2 VAL 7 -7.117 -2.117 -6.542 49 3HG2 VAL 7 3HG2 VAL 7 -6.837 -2.781 -4.915 50 H VAL 8 H VAL 8 -5.994 -3.179 -2.615 51 HA VAL 8 HA VAL 8 -4.399 -5.467 -3.542 52 HB VAL 8 HB VAL 8 -5.361 -4.869 -0.737 53 1HG1 VAL 8 1HG1 VAL 8 -4.905 -7.352 -1.918 54 2HG1 VAL 8 2HG1 VAL 8 -3.397 -7.003 -1.038 55 3HG1 VAL 8 3HG1 VAL 8 -4.953 -6.995 -0.174 56 1HG2 VAL 8 1HG2 VAL 8 -3.027 -4.002 -2.121 57 2HG2 VAL 8 2HG2 VAL 8 -3.441 -3.792 -0.402 58 3HG2 VAL 8 3HG2 VAL 8 -2.525 -5.226 -0.929 59 H ASN 9 H ASN 9 -5.713 -6.734 -4.748 60 HA ASN 9 HA ASN 9 -8.479 -6.914 -3.846 61 2HB ASN 9 2HB ASN 9 -9.077 -7.440 -6.176 62 1HD2 ASN 9 1HD2 ASN 9 -6.103 -5.704 -6.750 63 2HD2 ASN 9 2HD2 ASN 9 -6.769 -4.113 -6.915 64 H GLY 10 H GLY 10 -8.735 -8.860 -2.729 65 1HA GLY 10 1HA GLY 10 -8.902 -11.146 -2.599 66 2HA GLY 10 2HA GLY 10 -7.866 -11.323 -4.001 67 H ARG 11 H ARG 11 -7.494 -9.688 -0.766 68 HA ARG 11 HA ARG 11 -5.630 -9.526 0.427 69 2HB ARG 11 2HB ARG 11 -7.011 -11.349 1.445 70 2HG ARG 11 2HG ARG 11 -5.644 -12.924 -0.654 71 2HD ARG 11 2HD ARG 11 -5.151 -13.572 2.169 72 HE ARG 11 HE ARG 11 -6.021 -16.026 0.893 73 1HH1 ARG 11 1HH1 ARG 11 -7.210 -13.263 2.766 74 2HH1 ARG 11 2HH1 ARG 11 -8.565 -14.127 3.413 75 2HH2 ARG 11 2HH2 ARG 11 -8.896 -16.420 2.801 76 H GLU 12 H GLU 12 -4.586 -9.271 -2.038 77 HA GLU 12 HA GLU 12 -2.741 -11.392 -2.568 78 2HB GLU 12 2HB GLU 12 -1.980 -9.498 -4.320 79 2HG GLU 12 2HG GLU 12 -3.673 -10.359 -5.880 80 HE2 GLU 12 HE2 GLU 12 -4.287 -13.007 -3.963 81 H ALA 13 H ALA 13 -0.666 -11.518 -1.805 82 HA ALA 13 HA ALA 13 0.678 -9.051 -1.055 83 1HB ALA 13 1HB ALA 13 1.332 -10.742 1.044 84 2HB ALA 13 2HB ALA 13 0.176 -9.391 1.124 85 3HB ALA 13 3HB ALA 13 -0.407 -11.045 0.820 86 H GLY 14 H GLY 14 2.896 -9.148 -1.420 87 1HA GLY 14 1HA GLY 14 4.317 -11.605 -1.624 88 2HA GLY 14 2HA GLY 14 3.896 -10.996 -3.212 89 H SER 15 H SER 15 4.515 -8.946 -0.324 90 HA SER 15 HA SER 15 6.974 -8.091 -1.638 91 2HB SER 15 2HB SER 15 5.565 -6.247 -2.007 92 HG SER 15 HG SER 15 4.197 -5.401 -0.202 93 H LYS 16 H LYS 16 8.180 -6.533 0.199 94 HA LYS 16 HA LYS 16 8.793 -8.387 2.282 95 2HB LYS 16 2HB LYS 16 9.929 -5.706 2.543 96 2HG LYS 16 2HG LYS 16 11.353 -8.247 1.702 97 2HD LYS 16 2HD LYS 16 12.807 -7.179 3.716 98 2HE LYS 16 2HE LYS 16 12.730 -6.265 0.805 99 1HZ LYS 16 1HZ LYS 16 15.013 -5.500 1.273 100 2HZ LYS 16 2HZ LYS 16 13.934 -4.638 2.136 101 H SER 17 H SER 17 6.224 -6.316 1.841 102 HA SER 17 HA SER 17 6.008 -4.812 4.056 103 2HB SER 17 2HB SER 17 4.368 -5.156 2.072 104 HG SER 17 HG SER 17 3.021 -6.818 2.146 105 H LYS 18 H LYS 18 5.841 -8.343 3.765 106 HA LYS 18 HA LYS 18 4.494 -8.947 6.109 107 2HB LYS 18 2HB LYS 18 6.583 -10.860 5.571 108 2HG LYS 18 2HG LYS 18 3.567 -10.706 5.170 109 2HD LYS 18 2HD LYS 18 4.651 -13.409 5.164 110 2HE LYS 18 2HE LYS 18 2.464 -12.004 4.099 111 1HZ LYS 18 1HZ LYS 18 2.819 -12.899 1.684 112 2HZ LYS 18 2HZ LYS 18 3.389 -11.423 2.070 113 H GLY 19 H GLY 19 7.544 -7.393 5.618 114 1HA GLY 19 1HA GLY 19 8.483 -8.127 8.307 115 2HA GLY 19 2HA GLY 19 9.424 -7.380 7.031 116 H CYS 20 H CYS 20 10.022 -5.828 8.820 117 HA CYS 20 HA CYS 20 7.896 -4.013 9.562 118 2HB CYS 20 2HB CYS 20 9.341 -3.164 11.203 119 HG CYS 20 HG CYS 20 8.712 -5.216 12.315 120 H ALA 21 H ALA 21 8.652 -1.538 9.461 121 HA ALA 21 HA ALA 21 9.006 -0.948 6.721 122 1HB ALA 21 1HB ALA 21 8.052 0.952 7.445 123 2HB ALA 21 2HB ALA 21 8.171 0.357 9.118 124 3HB ALA 21 3HB ALA 21 9.492 1.325 8.422 125 H LEU 22 H LEU 22 11.124 -0.807 9.642 126 HA LEU 22 HA LEU 22 13.300 0.335 8.234 127 2HB LEU 22 2HB LEU 22 14.341 -0.929 10.456 128 HG LEU 22 HG LEU 22 14.617 1.482 9.890 129 1HD1 LEU 22 1HD1 LEU 22 12.734 2.901 11.160 130 2HD1 LEU 22 2HD1 LEU 22 12.641 2.491 9.430 131 3HD1 LEU 22 3HD1 LEU 22 11.737 1.528 10.623 132 1HD2 LEU 22 1HD2 LEU 22 14.223 0.341 12.560 133 2HD2 LEU 22 2HD2 LEU 22 15.556 1.325 11.911 134 3HD2 LEU 22 3HD2 LEU 22 14.078 2.114 12.513 135 H CYS 23 H CYS 23 12.733 -3.012 9.543 136 HA CYS 23 HA CYS 23 14.256 -3.982 7.248 137 2HB CYS 23 2HB CYS 23 15.254 -5.729 8.838 138 HG CYS 23 HG CYS 23 16.039 -3.021 7.757 139 H GLY 24 H GLY 24 13.715 -6.308 6.765 140 1HA GLY 24 1HA GLY 24 11.113 -7.110 7.919 141 2HA GLY 24 2HA GLY 24 11.416 -7.129 6.194 142 H ALA 25 H ALA 25 12.357 -8.562 9.344 143 HA ALA 25 HA ALA 25 13.610 -10.769 7.863 144 1HB ALA 25 1HB ALA 25 15.120 -9.575 9.393 145 2HB ALA 25 2HB ALA 25 13.980 -9.827 10.736 146 3HB ALA 25 3HB ALA 25 14.800 -11.220 9.992 147 H THR 26 H THR 26 10.944 -9.726 9.870 148 HA THR 26 HA THR 26 10.290 -12.474 10.610 149 HB THR 26 HB THR 26 9.041 -9.761 11.302 150 HG1 THR 26 HG1 THR 26 10.782 -11.723 12.623 151 1HG2 THR 26 1HG2 THR 26 8.495 -12.622 12.183 152 2HG2 THR 26 2HG2 THR 26 8.252 -11.272 13.318 153 3HG2 THR 26 3HG2 THR 26 7.323 -11.338 11.800 154 H TRP 27 H TRP 27 7.876 -13.067 10.392 155 HA TRP 27 HA TRP 27 6.720 -11.987 7.955 156 2HB TRP 27 2HB TRP 27 8.018 -14.622 8.150 157 HD1 TRP 27 HD1 TRP 27 4.389 -13.610 7.374 158 HE1 TRP 27 HE1 TRP 27 2.951 -15.689 6.619 159 HE3 TRP 27 HE3 TRP 27 8.293 -16.849 7.036 160 HZ2 TRP 27 HZ2 TRP 27 3.594 -18.395 5.978 161 HZ3 TRP 27 HZ3 TRP 27 7.802 -19.191 6.339 162 HH2 TRP 27 HH2 TRP 27 5.548 -19.981 5.818 163 H GLY 28 H GLY 28 4.687 -11.458 8.633 164 1HA GLY 28 1HA GLY 28 3.305 -13.381 10.402 165 2HA GLY 28 2HA GLY 28 3.279 -11.657 10.708 166 H ASP 29 H ASP 29 1.445 -14.105 9.476 167 HA ASP 29 HA ASP 29 0.416 -12.562 7.258 168 2HB ASP 29 2HB ASP 29 0.805 -14.995 6.942 169 HD2 ASP 29 HD2 ASP 29 -1.509 -16.853 7.401 170 H TYR 30 H TYR 30 -0.353 -13.828 10.526 171 HA TYR 30 HA TYR 30 -3.110 -13.127 10.445 172 2HB TYR 30 2HB TYR 30 -1.661 -13.238 13.056 173 HD1 TYR 30 HD1 TYR 30 -3.643 -15.409 10.709 174 HD2 TYR 30 HD2 TYR 30 -3.199 -13.855 14.671 175 HE1 TYR 30 HE1 TYR 30 -5.772 -16.601 11.425 176 HE2 TYR 30 HE2 TYR 30 -5.329 -15.052 15.371 177 HH TYR 30 HH TYR 30 -6.869 -16.464 14.795 178 H HIS 31 H HIS 31 -0.396 -11.187 10.360 179 HA HIS 31 HA HIS 31 -1.387 -9.244 12.262 180 2HB HIS 31 2HB HIS 31 0.663 -8.012 11.719 181 HD1 HIS 31 HD1 HIS 31 3.283 -9.792 11.658 182 HD2 HIS 31 HD2 HIS 31 -0.178 -10.618 13.877 183 HE1 HIS 31 HE1 HIS 31 4.012 -11.298 13.584 184 H ALA 32 H ALA 32 -1.276 -6.832 11.360 185 HA ALA 32 HA ALA 32 -3.033 -6.847 9.032 186 1HB ALA 32 1HB ALA 32 -3.810 -5.743 11.093 187 2HB ALA 32 2HB ALA 32 -2.374 -4.693 11.080 188 3HB ALA 32 3HB ALA 32 -3.587 -4.557 9.786 189 H ASP 33 H ASP 33 -2.655 -5.422 7.222 190 HA ASP 33 HA ASP 33 0.186 -4.948 6.885 191 2HB ASP 33 2HB ASP 33 -0.311 -4.866 4.478 192 HD2 ASP 33 HD2 ASP 33 -0.523 -6.508 3.278 193 H PHE 34 H PHE 34 0.742 -2.867 5.587 194 HA PHE 34 HA PHE 34 -1.171 -0.741 6.246 195 2HB PHE 34 2HB PHE 34 1.782 -0.190 6.008 196 HD1 PHE 34 HD1 PHE 34 -0.534 -0.313 8.922 197 HD2 PHE 34 HD2 PHE 34 1.646 2.123 6.216 198 HE1 PHE 34 HE1 PHE 34 -1.150 1.722 10.257 199 HE2 PHE 34 HE2 PHE 34 1.029 4.157 7.551 200 HZ PHE 34 HZ PHE 34 -0.361 3.932 9.555 201 H LEU 35 H LEU 35 -1.327 1.018 4.750 202 HA LEU 35 HA LEU 35 -1.204 0.354 2.099 203 2HB LEU 35 2HB LEU 35 -0.829 3.196 2.536 204 HG LEU 35 HG LEU 35 -3.036 1.440 1.501 205 1HD1 LEU 35 1HD1 LEU 35 -3.408 3.989 2.861 206 2HD1 LEU 35 2HD1 LEU 35 -3.984 4.027 1.179 207 3HD1 LEU 35 3HD1 LEU 35 -4.607 2.797 2.304 208 1HD2 LEU 35 1HD2 LEU 35 -1.684 3.856 0.276 209 2HD2 LEU 35 2HD2 LEU 35 -1.134 2.179 0.052 210 3HD2 LEU 35 3HD2 LEU 35 -2.743 2.671 -0.527 211 H GLY 36 H GLY 36 1.375 1.332 4.268 212 1HA GLY 36 1HA GLY 36 3.172 2.053 2.095 213 2HA GLY 36 2HA GLY 36 3.503 2.081 3.815 214 H GLU 37 H GLU 37 2.070 -0.678 1.997 215 HA GLU 37 HA GLU 37 2.656 -2.814 2.179 216 2HB GLU 37 2HB GLU 37 3.534 -2.617 0.061 217 2HG GLU 37 2HG GLU 37 5.692 -1.167 -0.306 218 HE2 GLU 37 HE2 GLU 37 2.411 -1.099 -0.787 219 H ASP 38 H ASP 38 2.963 -2.165 4.698 220 HA ASP 38 HA ASP 38 5.423 -3.476 5.405 221 2HB ASP 38 2HB ASP 38 4.632 -0.939 6.879 222 HD2 ASP 38 HD2 ASP 38 7.217 -2.738 5.663 223 H LEU 39 H LEU 39 5.316 -4.204 7.771 224 HA LEU 39 HA LEU 39 2.511 -4.453 8.600 225 2HB LEU 39 2HB LEU 39 4.213 -6.352 9.879 226 HG LEU 39 HG LEU 39 1.768 -6.636 9.296 227 1HD1 LEU 39 1HD1 LEU 39 2.338 -7.804 6.676 228 2HD1 LEU 39 2HD1 LEU 39 1.015 -6.734 7.198 229 3HD1 LEU 39 3HD1 LEU 39 2.586 -6.042 6.729 230 1HD2 LEU 39 1HD2 LEU 39 3.810 -8.762 8.638 231 2HD2 LEU 39 2HD2 LEU 39 2.900 -8.519 10.148 232 3HD2 LEU 39 3HD2 LEU 39 2.061 -9.088 8.685 233 H PHE 40 H PHE 40 1.938 -3.248 10.321 234 HA PHE 40 HA PHE 40 4.097 -2.376 12.094 235 2HB PHE 40 2HB PHE 40 2.005 -1.064 10.728 236 HD1 PHE 40 HD1 PHE 40 2.012 -0.329 14.318 237 HD2 PHE 40 HD2 PHE 40 -0.249 -1.866 11.073 238 HE1 PHE 40 HE1 PHE 40 -0.077 -0.180 15.703 239 HE2 PHE 40 HE2 PHE 40 -2.337 -1.718 12.457 240 HZ PHE 40 HZ PHE 40 -2.226 -0.877 14.756 241 H PHE 41 H PHE 41 1.997 -4.891 11.902 242 HA PHE 41 HA PHE 41 1.269 -4.736 14.739 243 2HB PHE 41 2HB PHE 41 0.062 -6.947 13.308 244 HD1 PHE 41 HD1 PHE 41 -1.535 -3.771 12.667 245 HD2 PHE 41 HD2 PHE 41 -1.026 -6.842 15.550 246 HE1 PHE 41 HE1 PHE 41 -3.552 -2.939 13.908 247 HE2 PHE 41 HE2 PHE 41 -3.044 -6.011 16.792 248 HZ PHE 41 HZ PHE 41 -4.282 -4.070 15.956 249 H CYS 42 H CYS 42 3.678 -5.902 12.769 250 HA CYS 42 HA CYS 42 3.793 -8.576 13.756 251 2HB CYS 42 2HB CYS 42 4.718 -8.331 11.617 252 HG CYS 42 HG CYS 42 6.987 -6.210 12.590 253 H CYS 43 H CYS 43 5.822 -5.571 14.136 254 HA CYS 43 HA CYS 43 6.704 -6.668 16.703 255 2HB CYS 43 2HB CYS 43 8.523 -6.305 15.084 256 HG CYS 43 HG CYS 43 7.335 -4.514 13.570 257 H ASP 44 H ASP 44 5.601 -3.723 14.906 258 HA ASP 44 HA ASP 44 4.567 -1.925 15.533 259 2HB ASP 44 2HB ASP 44 3.839 -3.648 17.940 260 HD2 ASP 44 HD2 ASP 44 1.789 -1.506 16.371 261 H ILE 45 H ILE 45 7.388 -2.811 16.662 262 HA ILE 45 HA ILE 45 7.511 -0.935 18.910 263 HB ILE 45 HB ILE 45 8.792 -3.478 18.275 264 2HG1 ILE 45 2HG1 ILE 45 8.023 -1.867 20.673 265 1HG2 ILE 45 1HG2 ILE 45 10.790 -2.412 17.796 266 2HG2 ILE 45 2HG2 ILE 45 10.485 -1.089 18.947 267 3HG2 ILE 45 3HG2 ILE 45 10.921 -2.707 19.546 268 1HD1 ILE 45 1HD1 ILE 45 7.464 -4.541 19.430 269 2HD1 ILE 45 2HD1 ILE 45 7.421 -4.445 21.207 270 3HD1 ILE 45 3HD1 ILE 45 6.352 -3.407 20.234 271 H CYS 46 H CYS 46 9.553 -1.990 16.088 272 HA CYS 46 HA CYS 46 10.553 0.739 15.973 273 2HB CYS 46 2HB CYS 46 12.199 -1.115 16.045 274 HG CYS 46 HG CYS 46 11.178 -1.656 12.952 275 H ALA 47 H ALA 47 8.119 -1.277 14.693 276 HA ALA 47 HA ALA 47 8.158 0.054 12.087 277 1HB ALA 47 1HB ALA 47 6.287 -2.158 12.965 278 2HB ALA 47 2HB ALA 47 6.812 -1.724 11.321 279 3HB ALA 47 3HB ALA 47 7.951 -2.510 12.440 280 H ALA 48 H ALA 48 5.823 0.612 11.269 281 HA ALA 48 HA ALA 48 3.865 1.652 11.540 282 1HB ALA 48 1HB ALA 48 2.635 1.390 13.464 283 2HB ALA 48 2HB ALA 48 3.886 0.165 13.784 284 3HB ALA 48 3HB ALA 48 4.010 1.778 14.526 285 H GLU 49 H GLU 49 5.671 3.207 10.657 286 HA GLU 49 HA GLU 49 6.398 5.231 12.544 287 2HB GLU 49 2HB GLU 49 7.418 6.295 10.426 288 2HG GLU 49 2HG GLU 49 8.377 3.444 10.761 289 HE2 GLU 49 HE2 GLU 49 10.857 6.603 10.460 290 H PHE 50 H PHE 50 5.796 7.513 12.341 291 HA PHE 50 HA PHE 50 3.048 7.800 11.667 292 2HB PHE 50 2HB PHE 50 4.508 10.301 12.052 293 HD1 PHE 50 HD1 PHE 50 2.592 11.467 12.655 294 HD2 PHE 50 HD2 PHE 50 3.460 7.801 14.606 295 HE1 PHE 50 HE1 PHE 50 0.688 11.861 14.241 296 HE2 PHE 50 HE2 PHE 50 1.556 8.195 16.194 297 HZ PHE 50 HZ PHE 50 0.192 10.221 15.992 298 H MET 51 H MET 51 5.704 7.607 9.691 299 HA MET 51 HA MET 51 5.674 9.827 8.128 300 2HB MET 51 2HB MET 51 6.367 8.119 6.278 301 2HG MET 51 2HG MET 51 7.943 7.387 8.709 302 1HE MET 51 1HE MET 51 10.076 9.961 5.804 303 2HE MET 51 2HE MET 51 8.343 9.949 5.397 304 3HE MET 51 3HE MET 51 8.868 10.375 7.045 305 H ASN 52 H ASN 52 3.376 7.092 8.207 306 HA ASN 52 HA ASN 52 1.982 8.306 5.964 307 2HB ASN 52 2HB ASN 52 0.670 5.896 6.665 308 1HD2 ASN 52 1HD2 ASN 52 0.343 7.322 4.593 309 2HD2 ASN 52 2HD2 ASN 52 1.087 6.713 3.153 310 H MET 53 H MET 53 -0.634 7.578 6.359 311 HA MET 53 HA MET 53 -1.247 8.888 8.876 312 2HB MET 53 2HB MET 53 -3.182 8.271 6.592 313 2HG MET 53 2HG MET 53 -3.172 9.967 9.037 314 1HE MET 53 1HE MET 53 -1.652 11.515 8.067 315 2HE MET 53 2HE MET 53 -1.950 12.676 6.750 316 3HE MET 53 3HE MET 53 -2.557 13.013 8.389 317 H MET 54 H MET 54 -3.498 8.134 9.842 318 HA MET 54 HA MET 54 -3.140 5.483 10.610 319 2HB MET 54 2HB MET 54 -5.848 6.285 11.134 320 2HG MET 54 2HG MET 54 -4.326 5.202 12.776 321 1HE MET 54 1HE MET 54 -4.106 8.844 12.767 322 2HE MET 54 2HE MET 54 -2.834 9.058 13.992 323 3HE MET 54 3HE MET 54 -2.439 9.210 12.264 324 H ASP 55 H ASP 55 -5.404 7.077 8.293 325 HA ASP 55 HA ASP 55 -7.138 5.126 7.795 326 2HB ASP 55 2HB ASP 55 -7.088 5.940 5.365 327 HD2 ASP 55 HD2 ASP 55 -9.019 7.941 5.559 328 H GLU 56 H GLU 56 -3.729 5.407 6.649 329 HA GLU 56 HA GLU 56 -3.612 3.526 4.751 330 2HB GLU 56 2HB GLU 56 -1.245 3.238 5.348 331 2HG GLU 56 2HG GLU 56 -0.567 5.503 5.193 332 HE2 GLU 56 HE2 GLU 56 -1.019 5.081 3.084 333 H ALA 57 H ALA 57 -3.360 2.955 8.327 334 HA ALA 57 HA ALA 57 -3.087 0.167 8.098 335 1HB ALA 57 1HB ALA 57 -3.094 2.161 10.120 336 2HB ALA 57 2HB ALA 57 -4.354 0.985 10.567 337 3HB ALA 57 3HB ALA 57 -2.683 0.437 10.291 338 H PHE 58 H PHE 58 -5.938 2.310 8.777 339 HA PHE 58 HA PHE 58 -7.853 0.459 9.162 340 2HB PHE 58 2HB PHE 58 -9.346 2.219 8.072 341 HD1 PHE 58 HD1 PHE 58 -7.109 1.760 10.580 342 HD2 PHE 58 HD2 PHE 58 -9.129 4.942 8.631 343 HE1 PHE 58 HE1 PHE 58 -6.858 3.178 12.635 344 HE2 PHE 58 HE2 PHE 58 -8.877 6.360 10.686 345 HZ PHE 58 HZ PHE 58 -7.745 5.462 12.664 346 H LYS 59 H LYS 59 -6.396 1.447 6.024 347 HA LYS 59 HA LYS 59 -8.137 0.362 4.260 348 2HB LYS 59 2HB LYS 59 -5.137 0.604 4.274 349 2HG LYS 59 2HG LYS 59 -6.122 0.166 1.617 350 2HD LYS 59 2HD LYS 59 -4.214 -1.237 3.509 351 2HE LYS 59 2HE LYS 59 -4.800 -2.075 0.629 352 1HZ LYS 59 1HZ LYS 59 -2.481 -2.348 1.440 353 2HZ LYS 59 2HZ LYS 59 -3.006 -3.278 2.668 354 H HIS 60 H HIS 60 -5.878 -1.327 6.449 355 HA HIS 60 HA HIS 60 -6.100 -3.833 5.217 356 2HB HIS 60 2HB HIS 60 -5.356 -2.971 8.019 357 HD1 HIS 60 HD1 HIS 60 -5.855 -4.836 9.622 358 HD2 HIS 60 HD2 HIS 60 -4.449 -6.244 5.929 359 HE1 HIS 60 HE1 HIS 60 -5.570 -7.359 9.879 360 H THR 61 H THR 61 -7.883 -2.265 7.950 361 HA THR 61 HA THR 61 -9.458 -4.333 8.753 362 HB THR 61 HB THR 61 -10.044 -1.350 8.400 363 HG1 THR 61 HG1 THR 61 -8.286 -2.469 9.833 364 1HG2 THR 61 1HG2 THR 61 -11.520 -3.509 9.995 365 2HG2 THR 61 2HG2 THR 61 -11.698 -1.763 10.290 366 3HG2 THR 61 3HG2 THR 61 -12.214 -2.459 8.737 367 H ALA 62 H ALA 62 -9.755 -2.411 5.754 368 HA ALA 62 HA ALA 62 -12.253 -3.704 5.107 369 1HB ALA 62 1HB ALA 62 -11.323 -2.361 2.850 370 2HB ALA 62 2HB ALA 62 -12.414 -1.696 4.089 371 3HB ALA 62 3HB ALA 62 -10.660 -1.412 4.201 372 H ARG 63 H ARG 63 -8.815 -3.690 3.963 373 HA ARG 63 HA ARG 63 -9.263 -5.567 1.971 374 2HB ARG 63 2HB ARG 63 -6.751 -4.754 3.507 375 2HG ARG 63 2HG ARG 63 -5.885 -5.778 1.087 376 2HD ARG 63 2HD ARG 63 -6.150 -7.291 3.732 377 HE ARG 63 HE ARG 63 -5.238 -8.884 2.215 378 1HH1 ARG 63 1HH1 ARG 63 -3.446 -5.830 2.073 379 2HH1 ARG 63 2HH1 ARG 63 -2.116 -6.508 1.195 380 2HH2 ARG 63 2HH2 ARG 63 -2.160 -8.832 0.608 381 H HIS 64 H HIS 64 -9.578 -5.911 5.288 382 HA HIS 64 HA HIS 64 -8.272 -8.415 5.627 383 2HB HIS 64 2HB HIS 64 -10.432 -7.725 7.502 384 HD1 HIS 64 HD1 HIS 64 -9.656 -8.294 9.905 385 HD2 HIS 64 HD2 HIS 64 -6.646 -8.688 7.008 386 HE1 HIS 64 HE1 HIS 64 -7.725 -9.518 11.040 387 H ASN 65 H ASN 65 -11.744 -7.365 5.381 388 HA ASN 65 HA ASN 65 -12.313 -10.116 4.597 389 2HB ASN 65 2HB ASN 65 -14.610 -8.368 5.338 390 1HD2 ASN 65 1HD2 ASN 65 -15.072 -10.446 4.051 391 2HD2 ASN 65 2HD2 ASN 65 -15.440 -11.861 4.978 392 H VAL 66 H VAL 66 -13.196 -6.616 4.143 393 HA VAL 66 HA VAL 66 -14.378 -7.268 1.560 394 HB VAL 66 HB VAL 66 -14.282 -4.508 2.684 395 1HG1 VAL 66 1HG1 VAL 66 -15.448 -5.522 0.487 396 2HG1 VAL 66 2HG1 VAL 66 -16.765 -5.796 1.653 397 3HG1 VAL 66 3HG1 VAL 66 -16.130 -4.153 1.397 398 1HG2 VAL 66 1HG2 VAL 66 -15.576 -6.840 4.011 399 2HG2 VAL 66 2HG2 VAL 66 -14.962 -5.319 4.700 400 3HG2 VAL 66 3HG2 VAL 66 -16.539 -5.349 3.876 401 H ASP 67 H ASP 67 -13.799 -4.500 0.561 402 HA ASP 67 HA ASP 67 -10.926 -4.727 0.208 403 2HB ASP 67 2HB ASP 67 -12.927 -4.238 -2.048 404 HD2 ASP 67 HD2 ASP 67 -11.986 -3.057 -3.377 405 H GLU 68 H GLU 68 -9.922 -2.661 0.189 406 HA GLU 68 HA GLU 68 -11.607 -0.372 -0.301 407 2HB GLU 68 2HB GLU 68 -10.107 -0.853 2.303 408 2HG GLU 68 2HG GLU 68 -10.524 1.642 0.874 409 HE2 GLU 68 HE2 GLU 68 -10.562 3.102 3.180 410 H LEU 69 H LEU 69 -10.463 1.401 -1.178 411 HA LEU 69 HA LEU 69 -7.555 1.113 -1.289 412 2HB LEU 69 2HB LEU 69 -7.490 0.718 -3.450 413 HG LEU 69 HG LEU 69 -10.487 0.563 -3.189 414 1HD1 LEU 69 1HD1 LEU 69 -8.923 0.182 -5.757 415 2HD1 LEU 69 2HD1 LEU 69 -10.653 -0.160 -5.514 416 3HD1 LEU 69 3HD1 LEU 69 -10.052 1.512 -5.404 417 1HD2 LEU 69 1HD2 LEU 69 -8.210 -1.321 -3.223 418 2HD2 LEU 69 2HD2 LEU 69 -9.794 -1.435 -2.420 419 3HD2 LEU 69 3HD2 LEU 69 -9.643 -1.827 -4.150 420 H HIS 70 H HIS 70 -6.497 2.997 -0.862 421 HA HIS 70 HA HIS 70 -7.968 5.471 -1.260 422 2HB HIS 70 2HB HIS 70 -6.523 5.040 1.342 423 HD1 HIS 70 HD1 HIS 70 -10.034 6.219 1.310 424 HD2 HIS 70 HD2 HIS 70 -6.207 7.924 1.092 425 HE1 HIS 70 HE1 HIS 70 -10.333 8.711 1.777 426 H ILE 71 H ILE 71 -6.643 7.220 -1.826 427 HA ILE 71 HA ILE 71 -3.764 6.719 -1.740 428 HB ILE 71 HB ILE 71 -4.012 6.119 -3.905 429 2HG1 ILE 71 2HG1 ILE 71 -3.000 7.730 -5.148 430 1HG2 ILE 71 1HG2 ILE 71 -6.433 7.924 -4.015 431 2HG2 ILE 71 2HG2 ILE 71 -5.735 7.142 -5.454 432 3HG2 ILE 71 3HG2 ILE 71 -6.367 6.148 -4.119 433 1HD1 ILE 71 1HD1 ILE 71 -3.703 10.227 -4.881 434 2HD1 ILE 71 2HD1 ILE 71 -4.809 9.142 -5.758 435 3HD1 ILE 71 3HD1 ILE 71 -5.150 9.582 -4.068 436 H ASP 72 H ASP 72 -2.621 8.454 -1.009 437 HA ASP 72 HA ASP 72 -3.874 11.046 -1.251 438 2HB ASP 72 2HB ASP 72 -4.414 9.952 1.030 439 HD2 ASP 72 HD2 ASP 72 -2.319 11.739 2.595 440 H GLY 73 H GLY 73 -2.271 12.723 -1.441 441 1HA GLY 73 1HA GLY 73 0.539 11.902 -1.063 442 2HA GLY 73 2HA GLY 73 0.006 12.624 -2.569 443 H ASN 74 H ASN 74 1.708 13.405 0.059 444 HA ASN 74 HA ASN 74 0.815 16.149 -0.084 445 2HB ASN 74 2HB ASN 74 1.626 15.235 2.651 446 1HD2 ASN 74 1HD2 ASN 74 -0.970 15.814 3.689 447 2HD2 ASN 74 2HD2 ASN 74 -1.259 17.515 3.535 448 H TYR 75 H TYR 75 2.629 17.542 -0.136 449 HA TYR 75 HA TYR 75 5.193 16.373 -0.363 450 2HB TYR 75 2HB TYR 75 4.562 18.407 -1.585 451 HD1 TYR 75 HD1 TYR 75 2.696 19.761 -1.803 452 HD2 TYR 75 HD2 TYR 75 4.672 19.578 1.987 453 HE1 TYR 75 HE1 TYR 75 1.081 21.489 -0.869 454 HE2 TYR 75 HE2 TYR 75 3.051 21.307 2.907 455 HH TYR 75 HH TYR 75 1.599 22.941 2.243 456 H GLN 76 H GLN 76 3.322 17.002 2.378 457 HA GLN 76 HA GLN 76 5.716 17.554 3.947 458 2HB GLN 76 2HB GLN 76 3.615 19.124 3.997 459 2HG GLN 76 2HG GLN 76 2.284 16.799 4.627 460 1HE2 GLN 76 1HE2 GLN 76 2.512 15.392 6.188 461 2HE2 GLN 76 2HE2 GLN 76 2.668 15.720 7.881 462 H LEU 77 H LEU 77 3.536 15.121 2.985 463 HA LEU 77 HA LEU 77 3.011 13.686 5.251 464 2HB LEU 77 2HB LEU 77 3.827 12.205 2.808 465 HG LEU 77 HG LEU 77 2.390 11.338 4.840 466 1HD1 LEU 77 1HD1 LEU 77 -0.100 11.556 4.074 467 2HD1 LEU 77 2HD1 LEU 77 0.649 12.832 5.062 468 3HD1 LEU 77 3HD1 LEU 77 0.469 13.057 3.306 469 1HD2 LEU 77 1HD2 LEU 77 2.979 10.151 2.702 470 2HD2 LEU 77 2HD2 LEU 77 1.424 9.681 3.431 471 3HD2 LEU 77 3HD2 LEU 77 1.455 10.766 2.020 472 H GLY 78 H GLY 78 5.833 13.091 3.033 473 1HA GLY 78 1HA GLY 78 7.846 13.138 4.881 474 2HA GLY 78 2HA GLY 78 7.173 11.526 5.029 475 H ARG 79 H ARG 79 7.031 13.310 1.947 476 HA ARG 79 HA ARG 79 7.764 12.785 -0.027 477 2HB ARG 79 2HB ARG 79 10.203 12.736 -0.312 478 2HG ARG 79 2HG ARG 79 10.744 14.419 1.786 479 2HD ARG 79 2HD ARG 79 9.428 16.175 0.253 480 HE ARG 79 HE ARG 79 11.554 15.111 -1.360 481 1HH1 ARG 79 1HH1 ARG 79 10.985 16.442 1.874 482 2HH1 ARG 79 2HH1 ARG 79 12.607 17.021 2.056 483 2HH2 ARG 79 2HH2 ARG 79 14.183 16.677 0.284 484 H ASN 80 H ASN 80 6.354 10.651 0.798 485 HA ASN 80 HA ASN 80 8.092 8.373 0.255 486 2HB ASN 80 2HB ASN 80 6.590 6.998 1.572 487 1HD2 ASN 80 1HD2 ASN 80 8.633 7.505 2.643 488 2HD2 ASN 80 2HD2 ASN 80 8.631 8.483 4.072 489 H VAL 81 H VAL 81 7.723 7.493 -1.785 490 HA VAL 81 HA VAL 81 5.042 7.882 -2.926 491 HB VAL 81 HB VAL 81 6.822 9.239 -3.979 492 1HG1 VAL 81 1HG1 VAL 81 8.011 6.621 -4.937 493 2HG1 VAL 81 2HG1 VAL 81 8.641 8.268 -5.176 494 3HG1 VAL 81 3HG1 VAL 81 8.652 7.537 -3.553 495 1HG2 VAL 81 1HG2 VAL 81 6.187 7.272 -6.106 496 2HG2 VAL 81 2HG2 VAL 81 4.799 7.880 -5.172 497 3HG2 VAL 81 3HG2 VAL 81 5.868 9.021 -6.023 498 H LEU 82 H LEU 82 3.955 5.984 -2.804 499 HA LEU 82 HA LEU 82 5.496 3.565 -3.442 500 2HB LEU 82 2HB LEU 82 3.803 2.405 -1.948 501 HG LEU 82 HG LEU 82 4.869 3.012 0.198 502 1HD1 LEU 82 1HD1 LEU 82 6.494 2.362 -2.234 503 2HD1 LEU 82 2HD1 LEU 82 7.312 2.599 -0.670 504 3HD1 LEU 82 3HD1 LEU 82 6.060 1.344 -0.839 505 1HD2 LEU 82 1HD2 LEU 82 5.108 5.498 -0.615 506 2HD2 LEU 82 2HD2 LEU 82 6.282 4.793 0.522 507 3HD2 LEU 82 3HD2 LEU 82 6.689 4.932 -1.205 508 H LEU 83 H LEU 83 4.870 2.637 -5.310 509 HA LEU 83 HA LEU 83 2.114 3.174 -6.177 510 2HB LEU 83 2HB LEU 83 4.045 2.422 -8.246 511 HG LEU 83 HG LEU 83 1.664 3.990 -8.057 512 1HD1 LEU 83 1HD1 LEU 83 3.192 5.910 -7.707 513 2HD1 LEU 83 2HD1 LEU 83 3.974 5.537 -9.262 514 3HD1 LEU 83 3HD1 LEU 83 2.260 6.017 -9.219 515 1HD2 LEU 83 1HD2 LEU 83 3.436 3.277 -10.411 516 2HD2 LEU 83 2HD2 LEU 83 2.097 2.305 -9.755 517 3HD2 LEU 83 3HD2 LEU 83 1.765 3.881 -10.513 518 H LYS 84 H LYS 84 0.879 1.411 -5.806 519 HA LYS 84 HA LYS 84 2.091 -1.181 -6.467 520 2HB LYS 84 2HB LYS 84 0.013 -1.009 -4.325 521 2HG LYS 84 2HG LYS 84 2.577 -2.637 -4.449 522 2HD LYS 84 2HD LYS 84 0.374 -4.105 -3.434 523 2HE LYS 84 2HE LYS 84 1.657 -3.371 -1.170 524 1HZ LYS 84 1HZ LYS 84 2.577 -5.150 -3.343 525 2HZ LYS 84 2HZ LYS 84 3.431 -5.031 -1.961 526 H ASN 85 H ASN 85 1.082 -2.140 -8.142 527 HA ASN 85 HA ASN 85 -1.675 -1.309 -8.601 528 2HB ASN 85 2HB ASN 85 -0.086 -0.682 -10.430 529 1HD2 ASN 85 1HD2 ASN 85 1.996 -1.523 -9.693 530 2HD2 ASN 85 2HD2 ASN 85 2.693 -2.897 -10.484 531 H GLY 86 H GLY 86 -3.068 -2.964 -7.962 532 1HA GLY 86 1HA GLY 86 -2.158 -5.749 -8.380 533 2HA GLY 86 2HA GLY 86 -3.136 -5.221 -7.025 534 H GLU 87 H GLU 87 -3.281 -6.784 -9.962 535 HA GLU 87 HA GLU 87 -6.054 -5.945 -10.314 536 2HB GLU 87 2HB GLU 87 -5.829 -5.840 -12.604 537 2HG GLU 87 2HG GLU 87 -3.487 -5.099 -13.265 538 HE2 GLU 87 HE2 GLU 87 -5.001 -3.006 -13.222 539 H ASP 88 H ASP 88 -7.467 -7.555 -9.801 540 HA ASP 88 HA ASP 88 -6.606 -10.265 -10.399 541 2HB ASP 88 2HB ASP 88 -8.327 -10.225 -8.060 542 HD2 ASP 88 HD2 ASP 88 -6.940 -10.857 -6.212 543 H ARG 89 H ARG 89 -8.161 -11.091 -11.803 544 HA ARG 89 HA ARG 89 -10.916 -10.410 -11.227 545 2HB ARG 89 2HB ARG 89 -10.178 -8.900 -13.063 546 2HG ARG 89 2HG ARG 89 -9.855 -10.387 -15.322 547 2HD ARG 89 2HD ARG 89 -7.612 -9.691 -13.363 548 HE ARG 89 HE ARG 89 -7.242 -9.654 -16.296 549 1HH1 ARG 89 1HH1 ARG 89 -6.739 -11.432 -13.272 550 2HH1 ARG 89 2HH1 ARG 89 -5.479 -12.427 -13.922 551 2HH2 ARG 89 2HH2 ARG 89 -4.815 -12.137 -16.206 552 H LEU 90 H LEU 90 -12.471 -12.025 -12.102 553 HA LEU 90 HA LEU 90 -11.208 -14.482 -13.057 554 2HB LEU 90 2HB LEU 90 -12.508 -15.819 -11.503 555 HG LEU 90 HG LEU 90 -10.250 -14.429 -10.757 556 1HD1 LEU 90 1HD1 LEU 90 -11.712 -12.759 -9.604 557 2HD1 LEU 90 2HD1 LEU 90 -12.246 -14.059 -8.511 558 3HD1 LEU 90 3HD1 LEU 90 -10.536 -13.569 -8.543 559 1HD2 LEU 90 1HD2 LEU 90 -10.064 -16.081 -8.957 560 2HD2 LEU 90 2HD2 LEU 90 -11.787 -16.487 -9.146 561 3HD2 LEU 90 3HD2 LEU 90 -10.644 -16.820 -10.469 562 H ARG 91 H ARG 91 -12.768 -15.948 -14.137 563 HA ARG 91 HA ARG 91 -14.338 -14.532 -15.888 564 2HB ARG 91 2HB ARG 91 -15.302 -16.866 -16.435 565 2HG ARG 91 2HG ARG 91 -12.990 -17.812 -17.050 566 2HD ARG 91 2HD ARG 91 -12.686 -15.093 -18.039 567 HE ARG 91 HE ARG 91 -13.945 -16.882 -19.867 568 1HH1 ARG 91 1HH1 ARG 91 -11.004 -16.713 -17.899 569 2HH1 ARG 91 2HH1 ARG 91 -10.083 -17.720 -18.966 570 2HH2 ARG 91 2HH2 ARG 91 -11.119 -18.589 -20.945 571 H PHE 92 H PHE 92 -14.986 -15.805 -12.665 572 HA PHE 92 HA PHE 92 -17.774 -16.038 -12.861 573 2HB PHE 92 2HB PHE 92 -16.903 -15.198 -10.227 574 HD1 PHE 92 HD1 PHE 92 -17.306 -18.033 -12.567 575 HD2 PHE 92 HD2 PHE 92 -17.569 -16.719 -8.541 576 HE1 PHE 92 HE1 PHE 92 -18.479 -20.165 -11.948 577 HE2 PHE 92 HE2 PHE 92 -18.741 -18.850 -7.922 578 HZ PHE 92 HZ PHE 92 -19.183 -20.547 -9.633 579 H TYR 93 H TYR 93 -15.760 -13.285 -13.066 580 HA TYR 93 HA TYR 93 -17.768 -11.529 -11.872 581 2HB TYR 93 2HB TYR 93 -15.407 -10.314 -13.155 582 HD1 TYR 93 HD1 TYR 93 -17.753 -9.388 -11.457 583 HD2 TYR 93 HD2 TYR 93 -13.773 -10.556 -10.410 584 HE1 TYR 93 HE1 TYR 93 -17.865 -7.930 -9.378 585 HE2 TYR 93 HE2 TYR 93 -13.898 -9.094 -8.335 586 HH TYR 93 HH TYR 93 -15.073 -7.700 -7.186 587 H VAL 94 H VAL 94 -18.837 -9.895 -13.051 588 HA VAL 94 HA VAL 94 -18.758 -10.330 -15.949 589 HB VAL 94 HB VAL 94 -20.869 -10.719 -14.621 590 1HG1 VAL 94 1HG1 VAL 94 -21.689 -7.939 -14.595 591 2HG1 VAL 94 2HG1 VAL 94 -21.730 -9.148 -13.289 592 3HG1 VAL 94 3HG1 VAL 94 -20.259 -8.184 -13.564 593 1HG2 VAL 94 1HG2 VAL 94 -20.449 -9.547 -17.156 594 2HG2 VAL 94 2HG2 VAL 94 -21.883 -10.437 -16.588 595 3HG2 VAL 94 3HG2 VAL 94 -21.812 -8.666 -16.422 596 H LYS 95 H LYS 95 -17.833 -8.193 -13.397 597 HA LYS 95 HA LYS 95 -17.837 -5.891 -15.191 598 2HB LYS 95 2HB LYS 95 -17.421 -6.189 -12.207 599 2HG LYS 95 2HG LYS 95 -17.670 -3.473 -13.369 600 2HD LYS 95 2HD LYS 95 -15.346 -3.746 -11.764 601 2HE LYS 95 2HE LYS 95 -17.691 -2.227 -11.806 602 1HZ LYS 95 1HZ LYS 95 -17.994 -4.236 -9.841 603 2HZ LYS 95 2HZ LYS 95 -17.844 -2.799 -9.089 604 H PHE 96 H PHE 96 -15.677 -8.085 -13.330 605 HA PHE 96 HA PHE 96 -13.440 -8.162 -13.235 606 2HB PHE 96 2HB PHE 96 -14.001 -9.515 -15.213 607 HD1 PHE 96 HD1 PHE 96 -12.566 -6.939 -17.321 608 HD2 PHE 96 HD2 PHE 96 -16.181 -8.839 -16.172 609 HE1 PHE 96 HE1 PHE 96 -13.704 -5.998 -19.350 610 HE2 PHE 96 HE2 PHE 96 -17.321 -7.899 -18.202 611 HZ PHE 96 HZ PHE 96 -16.069 -6.490 -19.767 612 H GLY 97 H GLY 97 -13.916 -5.589 -12.595 613 1HA GLY 97 1HA GLY 97 -12.487 -3.845 -14.451 614 2HA GLY 97 2HA GLY 97 -13.360 -3.381 -13.004 615 HA PRO 98 HA PRO 98 -8.868 -4.648 -12.051 616 2HB PRO 98 2HB PRO 98 -7.611 -5.242 -13.886 617 2HG PRO 98 2HG PRO 98 -8.553 -4.692 -15.918 618 2HD PRO 98 2HD PRO 98 -10.773 -4.600 -15.328 619 H GLY 99 H GLY 99 -8.846 -3.506 -10.209 620 1HA GLY 99 1HA GLY 99 -9.347 -0.839 -9.967 621 2HA GLY 99 2HA GLY 99 -8.316 -1.758 -8.889 622 H ALA 100 H ALA 100 -8.446 0.552 -11.544 623 HA ALA 100 HA ALA 100 -5.579 0.499 -11.929 624 1HB ALA 100 1HB ALA 100 -6.092 2.262 -13.606 625 2HB ALA 100 2HB ALA 100 -7.068 0.795 -13.854 626 3HB ALA 100 3HB ALA 100 -7.796 2.230 -13.095 627 H VAL 101 H VAL 101 -4.218 2.397 -11.559 628 HA VAL 101 HA VAL 101 -4.414 3.427 -9.039 629 HB VAL 101 HB VAL 101 -2.834 5.188 -9.920 630 1HG1 VAL 101 1HG1 VAL 101 -1.082 3.421 -10.595 631 2HG1 VAL 101 2HG1 VAL 101 -1.836 3.276 -8.989 632 3HG1 VAL 101 3HG1 VAL 101 -2.377 2.228 -10.322 633 1HG2 VAL 101 1HG2 VAL 101 -2.861 5.644 -12.106 634 2HG2 VAL 101 2HG2 VAL 101 -2.147 4.039 -12.397 635 3HG2 VAL 101 3HG2 VAL 101 -3.914 4.246 -12.437 636 H ILE 102 H ILE 102 -5.797 4.662 -12.112 637 HA ILE 102 HA ILE 102 -6.597 7.148 -11.072 638 HB ILE 102 HB ILE 102 -6.950 5.571 -13.509 639 2HG1 ILE 102 2HG1 ILE 102 -6.563 7.712 -14.568 640 1HG2 ILE 102 1HG2 ILE 102 -9.213 7.250 -12.456 641 2HG2 ILE 102 2HG2 ILE 102 -8.905 7.126 -14.205 642 3HG2 ILE 102 3HG2 ILE 102 -9.255 5.661 -13.256 643 1HD1 ILE 102 1HD1 ILE 102 -6.648 9.781 -13.487 644 2HD1 ILE 102 2HD1 ILE 102 -7.967 8.923 -12.656 645 3HD1 ILE 102 3HD1 ILE 102 -6.372 9.069 -11.879 646 H LYS 103 H LYS 103 -8.360 4.010 -11.536 647 HA LYS 103 HA LYS 103 -10.807 4.739 -10.638 648 2HB LYS 103 2HB LYS 103 -10.164 2.166 -9.539 649 2HG LYS 103 2HG LYS 103 -12.330 2.901 -10.588 650 2HD LYS 103 2HD LYS 103 -11.200 4.149 -12.513 651 2HE LYS 103 2HE LYS 103 -9.866 1.786 -12.960 652 1HZ LYS 103 1HZ LYS 103 -11.221 1.555 -15.361 653 2HZ LYS 103 2HZ LYS 103 -11.177 0.443 -14.172 654 H GLU 104 H GLU 104 -7.991 3.691 -8.607 655 HA GLU 104 HA GLU 104 -9.166 3.768 -6.193 656 2HB GLU 104 2HB GLU 104 -6.853 4.482 -5.337 657 2HG GLU 104 2HG GLU 104 -7.386 2.175 -7.210 658 HE2 GLU 104 HE2 GLU 104 -4.482 1.607 -8.210 659 H PHE 105 H PHE 105 -7.642 6.575 -7.924 660 HA PHE 105 HA PHE 105 -7.953 8.517 -6.084 661 2HB PHE 105 2HB PHE 105 -8.906 9.292 -8.791 662 HD1 PHE 105 HD1 PHE 105 -8.290 10.892 -6.409 663 HD2 PHE 105 HD2 PHE 105 -5.730 9.535 -9.510 664 HE1 PHE 105 HE1 PHE 105 -6.746 12.824 -5.979 665 HE2 PHE 105 HE2 PHE 105 -4.186 11.467 -9.080 666 HZ PHE 105 HZ PHE 105 -4.713 13.088 -7.320 667 H LYS 106 H LYS 106 -10.505 7.004 -8.089 668 HA LYS 106 HA LYS 106 -12.514 8.826 -7.842 669 2HB LYS 106 2HB LYS 106 -12.372 6.503 -9.027 670 2HG LYS 106 2HG LYS 106 -12.549 5.593 -6.396 671 2HD LYS 106 2HD LYS 106 -15.235 6.213 -7.323 672 2HE LYS 106 2HE LYS 106 -16.169 3.897 -6.698 673 1HZ LYS 106 1HZ LYS 106 -15.606 4.889 -9.100 674 2HZ LYS 106 2HZ LYS 106 -14.663 3.564 -9.170 675 H ILE 107 H ILE 107 -10.954 6.931 -5.338 676 HA ILE 107 HA ILE 107 -12.781 6.572 -3.428 677 HB ILE 107 HB ILE 107 -10.428 6.043 -3.209 678 2HG1 ILE 107 2HG1 ILE 107 -11.558 7.775 -0.995 679 1HG2 ILE 107 1HG2 ILE 107 -9.294 7.878 -4.153 680 2HG2 ILE 107 2HG2 ILE 107 -10.074 9.038 -3.050 681 3HG2 ILE 107 3HG2 ILE 107 -8.864 7.892 -2.426 682 1HD1 ILE 107 1HD1 ILE 107 -12.143 5.593 -0.007 683 2HD1 ILE 107 2HD1 ILE 107 -12.880 5.746 -1.620 684 3HD1 ILE 107 3HD1 ILE 107 -11.420 4.751 -1.399 685 H THR 108 H THR 108 -11.466 9.721 -4.523 686 HA THR 108 HA THR 108 -13.672 11.005 -3.091 687 HB THR 108 HB THR 108 -11.662 11.149 -1.619 688 HG1 THR 108 HG1 THR 108 -11.650 13.584 -1.751 689 1HG2 THR 108 1HG2 THR 108 -10.425 12.629 -4.000 690 2HG2 THR 108 2HG2 THR 108 -9.711 12.487 -2.376 691 3HG2 THR 108 3HG2 THR 108 -9.885 11.042 -3.402 692 H ASP 109 H ASP 109 -10.993 11.287 -5.493 693 HA ASP 109 HA ASP 109 -11.661 13.584 -6.672 694 2HB ASP 109 2HB ASP 109 -11.076 11.095 -8.322 695 HD2 ASP 109 HD2 ASP 109 -12.047 12.893 -9.743 Start of MODEL 6 1 1H MET 1 1H MET 1 7.458 14.746 -4.536 2 HA MET 1 HA MET 1 6.853 13.268 -6.158 3 2HB MET 1 2HB MET 1 9.519 11.824 -6.048 4 2HG MET 1 2HG MET 1 7.252 12.209 -7.985 5 1HE MET 1 1HE MET 1 9.836 14.296 -9.977 6 2HE MET 1 2HE MET 1 8.102 13.940 -10.160 7 3HE MET 1 3HE MET 1 8.767 14.330 -8.555 8 H SER 2 H SER 2 6.024 13.060 -3.689 9 HA SER 2 HA SER 2 6.740 10.358 -2.855 10 2HB SER 2 2HB SER 2 7.392 11.867 -1.106 11 HG SER 2 HG SER 2 5.172 13.294 -1.940 12 H GLU 3 H GLU 3 5.135 8.888 -3.274 13 HA GLU 3 HA GLU 3 2.405 9.823 -2.961 14 2HB GLU 3 2HB GLU 3 2.207 8.007 -5.063 15 2HG GLU 3 2HG GLU 3 2.402 10.536 -6.283 16 HE2 GLU 3 HE2 GLU 3 -1.277 9.746 -5.078 17 H VAL 4 H VAL 4 1.026 8.320 -1.980 18 HA VAL 4 HA VAL 4 2.279 5.735 -1.356 19 HB VAL 4 HB VAL 4 1.770 7.618 0.434 20 1HG1 VAL 4 1HG1 VAL 4 -0.582 7.905 -0.075 21 2HG1 VAL 4 2HG1 VAL 4 -0.886 6.169 0.173 22 3HG1 VAL 4 3HG1 VAL 4 -0.414 7.196 1.549 23 1HG2 VAL 4 1HG2 VAL 4 1.431 5.788 2.126 24 2HG2 VAL 4 2HG2 VAL 4 1.264 4.646 0.770 25 3HG2 VAL 4 3HG2 VAL 4 2.794 5.525 1.011 26 H ASN 5 H ASN 5 1.304 4.001 -2.259 27 HA ASN 5 HA ASN 5 -1.557 4.151 -2.634 28 2HB ASN 5 2HB ASN 5 -0.422 4.822 -4.815 29 1HD2 ASN 5 1HD2 ASN 5 1.716 4.696 -5.167 30 2HD2 ASN 5 2HD2 ASN 5 2.571 3.266 -5.640 31 H ILE 6 H ILE 6 -2.443 2.197 -1.911 32 HA ILE 6 HA ILE 6 -0.829 -0.213 -2.167 33 HB ILE 6 HB ILE 6 -1.928 0.853 0.433 34 2HG1 ILE 6 2HG1 ILE 6 0.826 0.413 -0.684 35 1HG2 ILE 6 1HG2 ILE 6 -0.511 -1.768 0.298 36 2HG2 ILE 6 2HG2 ILE 6 -1.753 -1.186 1.432 37 3HG2 ILE 6 3HG2 ILE 6 -2.218 -1.711 -0.203 38 1HD1 ILE 6 1HD1 ILE 6 0.268 2.517 1.317 39 2HD1 ILE 6 2HD1 ILE 6 1.048 2.645 -0.278 40 3HD1 ILE 6 3HD1 ILE 6 -0.728 2.657 -0.153 41 H VAL 7 H VAL 7 -2.057 -1.682 -3.202 42 HA VAL 7 HA VAL 7 -4.956 -1.536 -2.728 43 HB VAL 7 HB VAL 7 -4.183 -0.793 -4.981 44 1HG1 VAL 7 1HG1 VAL 7 -3.473 -2.583 -6.585 45 2HG1 VAL 7 2HG1 VAL 7 -2.269 -2.214 -5.327 46 3HG1 VAL 7 3HG1 VAL 7 -3.271 -3.680 -5.198 47 1HG2 VAL 7 1HG2 VAL 7 -6.449 -1.785 -4.499 48 2HG2 VAL 7 2HG2 VAL 7 -5.903 -1.944 -6.186 49 3HG2 VAL 7 3HG2 VAL 7 -5.821 -3.343 -5.087 50 H VAL 8 H VAL 8 -5.919 -3.362 -1.952 51 HA VAL 8 HA VAL 8 -4.437 -5.868 -2.219 52 HB VAL 8 HB VAL 8 -5.238 -6.280 0.216 53 1HG1 VAL 8 1HG1 VAL 8 -3.055 -4.650 0.803 54 2HG1 VAL 8 2HG1 VAL 8 -3.003 -6.362 0.319 55 3HG1 VAL 8 3HG1 VAL 8 -2.823 -5.085 -0.908 56 1HG2 VAL 8 1HG2 VAL 8 -5.997 -4.576 1.456 57 2HG2 VAL 8 2HG2 VAL 8 -4.715 -3.482 0.880 58 3HG2 VAL 8 3HG2 VAL 8 -6.203 -3.688 -0.074 59 H ASN 9 H ASN 9 -5.777 -7.127 -3.406 60 HA ASN 9 HA ASN 9 -8.599 -6.995 -2.678 61 2HB ASN 9 2HB ASN 9 -9.159 -7.491 -5.027 62 1HD2 ASN 9 1HD2 ASN 9 -9.973 -5.438 -4.635 63 2HD2 ASN 9 2HD2 ASN 9 -9.158 -3.990 -5.124 64 H GLY 10 H GLY 10 -9.154 -8.931 -1.670 65 1HA GLY 10 1HA GLY 10 -9.372 -11.152 -1.336 66 2HA GLY 10 2HA GLY 10 -8.592 -11.449 -2.876 67 H ARG 11 H ARG 11 -7.525 -9.860 0.222 68 HA ARG 11 HA ARG 11 -5.591 -9.971 1.240 69 2HB ARG 11 2HB ARG 11 -5.952 -12.998 1.054 70 2HG ARG 11 2HG ARG 11 -5.148 -11.252 3.421 71 2HD ARG 11 2HD ARG 11 -6.024 -13.589 3.864 72 HE ARG 11 HE ARG 11 -3.596 -14.736 2.615 73 1HH1 ARG 11 1HH1 ARG 11 -7.101 -14.255 2.417 74 2HH1 ARG 11 2HH1 ARG 11 -7.338 -15.538 1.279 75 2HH2 ARG 11 2HH2 ARG 11 -5.447 -16.803 0.526 76 H GLU 12 H GLU 12 -4.714 -9.347 -1.132 77 HA GLU 12 HA GLU 12 -3.148 -11.439 -2.293 78 2HB GLU 12 2HB GLU 12 -3.284 -8.472 -2.988 79 2HG GLU 12 2HG GLU 12 -1.876 -10.842 -4.145 80 HE2 GLU 12 HE2 GLU 12 -2.286 -10.743 -7.221 81 H ALA 13 H ALA 13 -0.987 -11.833 -1.930 82 HA ALA 13 HA ALA 13 0.465 -9.784 -0.400 83 1HB ALA 13 1HB ALA 13 1.617 -12.261 0.211 84 2HB ALA 13 2HB ALA 13 0.541 -11.305 1.261 85 3HB ALA 13 3HB ALA 13 -0.135 -12.580 0.219 86 H GLY 14 H GLY 14 2.964 -10.265 -0.589 87 1HA GLY 14 1HA GLY 14 4.594 -11.347 -2.072 88 2HA GLY 14 2HA GLY 14 3.520 -10.982 -3.407 89 H SER 15 H SER 15 4.765 -9.097 -0.550 90 HA SER 15 HA SER 15 6.138 -7.348 -2.347 91 2HB SER 15 2HB SER 15 3.543 -6.656 -1.862 92 HG SER 15 HG SER 15 4.790 -4.792 -0.166 93 H LYS 16 H LYS 16 6.961 -5.328 -0.762 94 HA LYS 16 HA LYS 16 8.395 -6.723 1.312 95 2HB LYS 16 2HB LYS 16 9.158 -4.082 1.445 96 2HG LYS 16 2HG LYS 16 10.099 -6.538 -0.015 97 2HD LYS 16 2HD LYS 16 10.464 -4.163 -1.324 98 2HE LYS 16 2HE LYS 16 13.083 -4.482 0.152 99 1HZ LYS 16 1HZ LYS 16 11.711 -2.328 -1.348 100 2HZ LYS 16 2HZ LYS 16 13.027 -2.023 -0.439 101 H SER 17 H SER 17 5.325 -5.895 1.267 102 HA SER 17 HA SER 17 5.220 -4.160 3.520 103 2HB SER 17 2HB SER 17 3.499 -4.269 1.640 104 HG SER 17 HG SER 17 3.359 -6.850 2.413 105 H LYS 18 H LYS 18 5.821 -7.485 3.032 106 HA LYS 18 HA LYS 18 4.392 -8.541 5.238 107 2HB LYS 18 2HB LYS 18 5.614 -10.560 4.804 108 2HG LYS 18 2HG LYS 18 5.212 -10.848 2.391 109 2HD LYS 18 2HD LYS 18 2.891 -9.922 2.233 110 2HE LYS 18 2HE LYS 18 2.971 -10.653 5.112 111 1HZ LYS 18 1HZ LYS 18 1.000 -10.945 3.751 112 2HZ LYS 18 2HZ LYS 18 1.788 -11.886 2.681 113 H GLY 19 H GLY 19 7.823 -7.501 4.710 114 1HA GLY 19 1HA GLY 19 8.593 -8.023 7.406 115 2HA GLY 19 2HA GLY 19 9.488 -7.134 6.191 116 H CYS 20 H CYS 20 10.100 -5.504 7.749 117 HA CYS 20 HA CYS 20 7.910 -3.966 8.874 118 2HB CYS 20 2HB CYS 20 9.798 -2.753 10.064 119 HG CYS 20 HG CYS 20 8.704 -4.114 11.722 120 H ALA 21 H ALA 21 8.382 -1.432 8.795 121 HA ALA 21 HA ALA 21 8.364 -0.712 6.065 122 1HB ALA 21 1HB ALA 21 7.928 0.513 8.697 123 2HB ALA 21 2HB ALA 21 8.716 1.620 7.547 124 3HB ALA 21 3HB ALA 21 7.156 0.868 7.133 125 H LEU 22 H LEU 22 10.740 -0.251 8.766 126 HA LEU 22 HA LEU 22 12.613 1.194 7.376 127 2HB LEU 22 2HB LEU 22 13.138 -0.914 9.474 128 HG LEU 22 HG LEU 22 14.677 1.262 10.102 129 1HD1 LEU 22 1HD1 LEU 22 15.655 -1.072 8.442 130 2HD1 LEU 22 2HD1 LEU 22 16.560 -0.125 9.648 131 3HD1 LEU 22 3HD1 LEU 22 15.229 -1.188 10.167 132 1HD2 LEU 22 1HD2 LEU 22 14.201 2.317 7.925 133 2HD2 LEU 22 2HD2 LEU 22 15.928 1.939 8.139 134 3HD2 LEU 22 3HD2 LEU 22 14.912 0.908 7.102 135 H CYS 23 H CYS 23 12.548 -2.416 7.823 136 HA CYS 23 HA CYS 23 13.689 -2.621 5.156 137 2HB CYS 23 2HB CYS 23 15.626 -2.668 6.666 138 HG CYS 23 HG CYS 23 14.975 -3.251 8.953 139 H GLY 24 H GLY 24 12.897 -4.460 4.048 140 1HA GLY 24 1HA GLY 24 10.704 -5.852 5.383 141 2HA GLY 24 2HA GLY 24 11.072 -5.828 3.669 142 H ALA 25 H ALA 25 12.289 -7.054 6.849 143 HA ALA 25 HA ALA 25 13.565 -9.252 5.375 144 1HB ALA 25 1HB ALA 25 14.195 -7.791 7.940 145 2HB ALA 25 2HB ALA 25 14.748 -9.468 7.713 146 3HB ALA 25 3HB ALA 25 15.268 -8.198 6.578 147 H THR 26 H THR 26 11.089 -8.278 7.680 148 HA THR 26 HA THR 26 10.698 -11.023 8.576 149 HB THR 26 HB THR 26 9.405 -8.336 9.282 150 HG1 THR 26 HG1 THR 26 11.562 -8.609 10.078 151 1HG2 THR 26 1HG2 THR 26 9.078 -11.137 10.479 152 2HG2 THR 26 2HG2 THR 26 8.592 -9.639 11.311 153 3HG2 THR 26 3HG2 THR 26 7.788 -10.119 9.797 154 H TRP 27 H TRP 27 8.377 -11.857 8.610 155 HA TRP 27 HA TRP 27 6.799 -10.933 6.366 156 2HB TRP 27 2HB TRP 27 8.509 -12.538 5.441 157 HD1 TRP 27 HD1 TRP 27 8.303 -13.859 8.538 158 HE1 TRP 27 HE1 TRP 27 8.431 -16.479 8.827 159 HE3 TRP 27 HE3 TRP 27 7.032 -14.976 3.743 160 HZ2 TRP 27 HZ2 TRP 27 7.996 -18.675 7.058 161 HZ3 TRP 27 HZ3 TRP 27 6.906 -17.383 3.106 162 HH2 TRP 27 HH2 TRP 27 7.363 -19.202 4.674 163 H GLY 28 H GLY 28 4.588 -11.528 6.635 164 1HA GLY 28 1HA GLY 28 3.659 -13.508 8.379 165 2HA GLY 28 2HA GLY 28 3.752 -12.008 9.279 166 H ASP 29 H ASP 29 2.125 -13.768 6.685 167 HA ASP 29 HA ASP 29 0.676 -11.576 5.707 168 2HB ASP 29 2HB ASP 29 1.062 -13.785 4.520 169 HD2 ASP 29 HD2 ASP 29 -2.106 -15.281 6.094 170 H TYR 30 H TYR 30 0.390 -13.831 8.427 171 HA TYR 30 HA TYR 30 -2.344 -13.723 8.902 172 2HB TYR 30 2HB TYR 30 -1.589 -14.447 11.166 173 HD1 TYR 30 HD1 TYR 30 -2.226 -16.413 9.577 174 HD2 TYR 30 HD2 TYR 30 1.771 -14.980 10.099 175 HE1 TYR 30 HE1 TYR 30 -1.313 -18.617 8.700 176 HE2 TYR 30 HE2 TYR 30 2.670 -17.189 9.221 177 HH TYR 30 HH TYR 30 1.103 -19.874 9.157 178 H HIS 31 H HIS 31 0.057 -11.222 9.111 179 HA HIS 31 HA HIS 31 -1.560 -9.725 11.010 180 2HB HIS 31 2HB HIS 31 0.296 -8.389 11.403 181 HD1 HIS 31 HD1 HIS 31 -0.144 -11.623 11.929 182 HD2 HIS 31 HD2 HIS 31 3.416 -9.582 11.054 183 HE1 HIS 31 HE1 HIS 31 1.752 -13.082 12.814 184 H ALA 32 H ALA 32 -1.511 -7.180 10.359 185 HA ALA 32 HA ALA 32 -2.674 -7.131 7.666 186 1HB ALA 32 1HB ALA 32 -3.103 -5.419 10.145 187 2HB ALA 32 2HB ALA 32 -3.799 -5.044 8.550 188 3HB ALA 32 3HB ALA 32 -4.257 -6.545 9.390 189 H ASP 33 H ASP 33 -2.087 -5.451 6.197 190 HA ASP 33 HA ASP 33 0.530 -4.375 6.822 191 2HB ASP 33 2HB ASP 33 0.854 -5.219 4.722 192 HD2 ASP 33 HD2 ASP 33 -2.500 -4.188 3.635 193 H PHE 34 H PHE 34 0.905 -2.076 6.722 194 HA PHE 34 HA PHE 34 -1.538 -0.489 6.741 195 2HB PHE 34 2HB PHE 34 0.306 1.220 7.594 196 HD1 PHE 34 HD1 PHE 34 -0.038 -2.309 8.789 197 HD2 PHE 34 HD2 PHE 34 -0.425 1.820 9.685 198 HE1 PHE 34 HE1 PHE 34 -0.884 -2.886 11.081 199 HE2 PHE 34 HE2 PHE 34 -1.272 1.244 11.977 200 HZ PHE 34 HZ PHE 34 -1.492 -1.102 12.647 201 H LEU 35 H LEU 35 -0.896 1.976 5.993 202 HA LEU 35 HA LEU 35 -0.574 1.741 3.193 203 2HB LEU 35 2HB LEU 35 -0.376 4.403 3.709 204 HG LEU 35 HG LEU 35 -2.935 2.781 3.754 205 1HD1 LEU 35 1HD1 LEU 35 -2.820 5.677 2.987 206 2HD1 LEU 35 2HD1 LEU 35 -4.187 4.704 3.582 207 3HD1 LEU 35 3HD1 LEU 35 -2.907 5.220 4.706 208 1HD2 LEU 35 1HD2 LEU 35 -3.107 3.478 1.377 209 2HD2 LEU 35 2HD2 LEU 35 -1.469 4.165 1.492 210 3HD2 LEU 35 3HD2 LEU 35 -1.719 2.415 1.708 211 H GLY 36 H GLY 36 1.649 1.721 5.771 212 1HA GLY 36 1HA GLY 36 3.765 3.091 4.297 213 2HA GLY 36 2HA GLY 36 3.835 2.458 5.930 214 H GLU 37 H GLU 37 2.334 0.263 3.708 215 HA GLU 37 HA GLU 37 2.923 -1.766 3.134 216 2HB GLU 37 2HB GLU 37 5.562 -0.974 2.025 217 2HG GLU 37 2HG GLU 37 3.027 -2.339 1.168 218 HE2 GLU 37 HE2 GLU 37 4.723 -1.520 -2.248 219 H ASP 38 H ASP 38 3.342 -1.774 5.738 220 HA ASP 38 HA ASP 38 5.774 -3.291 5.974 221 2HB ASP 38 2HB ASP 38 6.520 -1.077 6.684 222 HD2 ASP 38 HD2 ASP 38 4.423 1.253 8.048 223 H LEU 39 H LEU 39 5.775 -4.202 8.453 224 HA LEU 39 HA LEU 39 2.977 -4.735 9.175 225 2HB LEU 39 2HB LEU 39 4.646 -6.901 9.955 226 HG LEU 39 HG LEU 39 2.266 -7.170 9.452 227 1HD1 LEU 39 1HD1 LEU 39 2.298 -7.328 6.601 228 2HD1 LEU 39 2HD1 LEU 39 1.321 -6.280 7.657 229 3HD1 LEU 39 3HD1 LEU 39 2.916 -5.731 7.088 230 1HD2 LEU 39 1HD2 LEU 39 4.391 -8.855 8.510 231 2HD2 LEU 39 2HD2 LEU 39 2.802 -9.302 9.175 232 3HD2 LEU 39 3HD2 LEU 39 2.985 -9.006 7.429 233 H PHE 40 H PHE 40 2.481 -3.972 11.152 234 HA PHE 40 HA PHE 40 4.722 -3.506 12.977 235 2HB PHE 40 2HB PHE 40 2.811 -1.799 12.040 236 HD1 PHE 40 HD1 PHE 40 0.771 -3.575 11.944 237 HD2 PHE 40 HD2 PHE 40 1.953 -1.351 15.360 238 HE1 PHE 40 HE1 PHE 40 -1.531 -3.835 12.910 239 HE2 PHE 40 HE2 PHE 40 -0.350 -1.612 16.326 240 HZ PHE 40 HZ PHE 40 -2.064 -2.851 15.089 241 H PHE 41 H PHE 41 3.179 -6.124 12.432 242 HA PHE 41 HA PHE 41 2.089 -6.472 15.132 243 2HB PHE 41 2HB PHE 41 1.811 -8.260 12.653 244 HD1 PHE 41 HD1 PHE 41 -0.988 -6.941 14.571 245 HD2 PHE 41 HD2 PHE 41 1.674 -10.217 14.128 246 HE1 PHE 41 HE1 PHE 41 -2.505 -8.364 15.976 247 HE2 PHE 41 HE2 PHE 41 0.157 -11.640 15.533 248 HZ PHE 41 HZ PHE 41 -1.914 -10.696 16.440 249 H CYS 42 H CYS 42 4.925 -6.859 13.445 250 HA CYS 42 HA CYS 42 5.489 -9.447 14.685 251 2HB CYS 42 2HB CYS 42 6.018 -9.703 12.439 252 HG CYS 42 HG CYS 42 6.538 -8.114 10.703 253 H CYS 43 H CYS 43 6.932 -6.175 13.988 254 HA CYS 43 HA CYS 43 8.539 -6.510 16.407 255 2HB CYS 43 2HB CYS 43 9.621 -4.325 15.249 256 HG CYS 43 HG CYS 43 10.643 -6.785 13.587 257 H ASP 44 H ASP 44 6.750 -3.974 14.490 258 HA ASP 44 HA ASP 44 5.528 -2.286 15.085 259 2HB ASP 44 2HB ASP 44 4.405 -4.231 16.459 260 HD2 ASP 44 HD2 ASP 44 4.845 -5.301 18.027 261 H ILE 45 H ILE 45 8.499 -2.738 16.087 262 HA ILE 45 HA ILE 45 8.497 -0.730 18.220 263 HB ILE 45 HB ILE 45 10.280 -2.998 17.479 264 2HG1 ILE 45 2HG1 ILE 45 8.491 -3.030 19.297 265 1HG2 ILE 45 1HG2 ILE 45 12.043 -1.989 18.996 266 2HG2 ILE 45 2HG2 ILE 45 11.894 -1.274 17.373 267 3HG2 ILE 45 3HG2 ILE 45 11.205 -0.433 18.783 268 1HD1 ILE 45 1HD1 ILE 45 10.513 -4.593 19.127 269 2HD1 ILE 45 2HD1 ILE 45 11.335 -3.514 20.279 270 3HD1 ILE 45 3HD1 ILE 45 9.855 -4.373 20.766 271 H CYS 46 H CYS 46 10.497 -1.683 15.333 272 HA CYS 46 HA CYS 46 11.254 1.093 15.058 273 2HB CYS 46 2HB CYS 46 12.167 -1.425 13.637 274 HG CYS 46 HG CYS 46 12.337 0.132 11.723 275 H ALA 47 H ALA 47 8.802 -1.083 14.039 276 HA ALA 47 HA ALA 47 8.395 0.337 11.513 277 1HB ALA 47 1HB ALA 47 7.074 -2.168 12.637 278 2HB ALA 47 2HB ALA 47 6.861 -1.506 10.999 279 3HB ALA 47 3HB ALA 47 8.443 -2.149 11.500 280 H ALA 48 H ALA 48 5.961 0.770 11.019 281 HA ALA 48 HA ALA 48 3.985 1.648 11.572 282 1HB ALA 48 1HB ALA 48 4.311 1.693 14.507 283 2HB ALA 48 2HB ALA 48 3.004 1.009 13.512 284 3HB ALA 48 3HB ALA 48 4.496 0.078 13.782 285 H GLU 49 H GLU 49 5.552 3.394 10.614 286 HA GLU 49 HA GLU 49 6.344 5.342 12.560 287 2HB GLU 49 2HB GLU 49 6.793 6.556 10.155 288 2HG GLU 49 2HG GLU 49 8.971 4.884 10.270 289 HE2 GLU 49 HE2 GLU 49 10.522 5.726 11.853 290 H PHE 50 H PHE 50 5.609 7.621 12.486 291 HA PHE 50 HA PHE 50 2.779 7.735 12.175 292 2HB PHE 50 2HB PHE 50 3.893 8.942 13.992 293 HD1 PHE 50 HD1 PHE 50 4.890 11.305 11.341 294 HD2 PHE 50 HD2 PHE 50 6.224 8.666 14.384 295 HE1 PHE 50 HE1 PHE 50 7.206 12.250 11.145 296 HE2 PHE 50 HE2 PHE 50 8.542 9.612 14.189 297 HZ PHE 50 HZ PHE 50 9.004 11.393 12.571 298 H MET 51 H MET 51 5.153 7.763 9.874 299 HA MET 51 HA MET 51 4.450 10.076 8.432 300 2HB MET 51 2HB MET 51 5.528 7.974 6.734 301 2HG MET 51 2HG MET 51 6.580 10.512 8.025 302 1HE MET 51 1HE MET 51 9.181 9.463 9.234 303 2HE MET 51 2HE MET 51 10.103 10.442 8.068 304 3HE MET 51 3HE MET 51 8.504 10.992 8.624 305 H ASN 52 H ASN 52 2.651 7.346 9.118 306 HA ASN 52 HA ASN 52 1.476 7.207 6.478 307 2HB ASN 52 2HB ASN 52 0.251 5.230 7.390 308 1HD2 ASN 52 1HD2 ASN 52 2.184 5.383 5.681 309 2HD2 ASN 52 2HD2 ASN 52 3.525 4.343 6.033 310 H MET 53 H MET 53 -1.047 7.150 6.458 311 HA MET 53 HA MET 53 -1.970 9.221 8.272 312 2HB MET 53 2HB MET 53 -3.527 8.181 5.876 313 2HG MET 53 2HG MET 53 -4.496 9.977 7.334 314 1HE MET 53 1HE MET 53 -2.963 13.687 6.308 315 2HE MET 53 2HE MET 53 -1.933 12.670 5.271 316 3HE MET 53 3HE MET 53 -3.697 12.432 5.280 317 H MET 54 H MET 54 -4.232 9.054 9.139 318 HA MET 54 HA MET 54 -4.598 6.760 10.537 319 2HB MET 54 2HB MET 54 -7.022 7.652 10.764 320 2HG MET 54 2HG MET 54 -6.297 9.854 11.781 321 1HE MET 54 1HE MET 54 -2.995 6.989 12.763 322 2HE MET 54 2HE MET 54 -3.109 8.317 11.582 323 3HE MET 54 3HE MET 54 -2.853 8.678 13.305 324 H ASP 55 H ASP 55 -5.735 7.596 7.253 325 HA ASP 55 HA ASP 55 -7.725 5.884 6.843 326 2HB ASP 55 2HB ASP 55 -6.103 5.524 4.559 327 HD2 ASP 55 HD2 ASP 55 -8.622 5.499 4.841 328 H GLU 56 H GLU 56 -4.225 5.175 7.170 329 HA GLU 56 HA GLU 56 -4.004 2.726 6.119 330 2HB GLU 56 2HB GLU 56 -2.293 4.204 7.426 331 2HG GLU 56 2HG GLU 56 -2.328 2.395 9.697 332 HE2 GLU 56 HE2 GLU 56 -2.535 6.112 10.859 333 H ALA 57 H ALA 57 -5.671 3.648 9.139 334 HA ALA 57 HA ALA 57 -5.930 1.052 10.184 335 1HB ALA 57 1HB ALA 57 -7.828 2.171 11.476 336 2HB ALA 57 2HB ALA 57 -6.232 2.946 11.618 337 3HB ALA 57 3HB ALA 57 -7.470 3.647 10.547 338 H PHE 58 H PHE 58 -8.095 3.112 8.130 339 HA PHE 58 HA PHE 58 -10.157 1.245 7.968 340 2HB PHE 58 2HB PHE 58 -10.141 2.715 5.571 341 HD1 PHE 58 HD1 PHE 58 -10.793 2.732 9.158 342 HD2 PHE 58 HD2 PHE 58 -11.821 4.487 5.434 343 HE1 PHE 58 HE1 PHE 58 -12.863 3.706 10.189 344 HE2 PHE 58 HE2 PHE 58 -13.893 5.462 6.466 345 HZ PHE 58 HZ PHE 58 -14.388 5.059 8.831 346 H LYS 59 H LYS 59 -7.124 1.663 6.110 347 HA LYS 59 HA LYS 59 -7.635 0.234 3.870 348 2HB LYS 59 2HB LYS 59 -5.228 0.724 5.551 349 2HG LYS 59 2HG LYS 59 -5.054 -1.709 4.866 350 2HD LYS 59 2HD LYS 59 -6.389 -1.332 2.691 351 2HE LYS 59 2HE LYS 59 -4.009 -0.903 1.082 352 1HZ LYS 59 1HZ LYS 59 -5.545 0.228 -0.119 353 2HZ LYS 59 2HZ LYS 59 -6.653 -0.389 0.902 354 H HIS 60 H HIS 60 -6.949 -1.029 7.174 355 HA HIS 60 HA HIS 60 -6.855 -3.715 6.388 356 2HB HIS 60 2HB HIS 60 -7.170 -4.168 8.808 357 HD1 HIS 60 HD1 HIS 60 -5.117 -3.852 10.471 358 HD2 HIS 60 HD2 HIS 60 -4.852 -1.724 6.865 359 HE1 HIS 60 HE1 HIS 60 -2.686 -3.107 10.257 360 H THR 61 H THR 61 -9.506 -1.730 7.888 361 HA THR 61 HA THR 61 -11.434 -3.751 7.792 362 HB THR 61 HB THR 61 -11.229 -1.256 8.880 363 HG1 THR 61 HG1 THR 61 -13.547 -1.672 9.278 364 1HG2 THR 61 1HG2 THR 61 -13.078 0.106 7.840 365 2HG2 THR 61 2HG2 THR 61 -11.666 -0.032 6.766 366 3HG2 THR 61 3HG2 THR 61 -13.109 -1.031 6.470 367 H ALA 62 H ALA 62 -10.287 -1.449 5.319 368 HA ALA 62 HA ALA 62 -12.400 -1.721 3.541 369 1HB ALA 62 1HB ALA 62 -9.650 -0.719 3.577 370 2HB ALA 62 2HB ALA 62 -10.080 -1.432 2.003 371 3HB ALA 62 3HB ALA 62 -11.068 -0.117 2.684 372 H ARG 63 H ARG 63 -9.266 -3.556 3.726 373 HA ARG 63 HA ARG 63 -10.340 -5.422 1.832 374 2HB ARG 63 2HB ARG 63 -7.963 -4.720 1.656 375 2HG ARG 63 2HG ARG 63 -7.932 -4.810 4.414 376 2HD ARG 63 2HD ARG 63 -7.807 -7.259 4.524 377 HE ARG 63 HE ARG 63 -6.803 -8.188 2.618 378 1HH1 ARG 63 1HH1 ARG 63 -4.633 -5.747 3.991 379 2HH1 ARG 63 2HH1 ARG 63 -3.312 -6.154 2.946 380 2HH2 ARG 63 2HH2 ARG 63 -3.587 -7.907 1.336 381 H HIS 64 H HIS 64 -11.075 -4.969 4.918 382 HA HIS 64 HA HIS 64 -10.399 -7.473 6.086 383 2HB HIS 64 2HB HIS 64 -12.290 -5.253 6.898 384 HD1 HIS 64 HD1 HIS 64 -11.147 -8.731 7.846 385 HD2 HIS 64 HD2 HIS 64 -13.424 -5.594 9.448 386 HE1 HIS 64 HE1 HIS 64 -12.333 -9.683 9.894 387 H ASN 65 H ASN 65 -13.530 -5.974 4.992 388 HA ASN 65 HA ASN 65 -14.484 -8.709 4.655 389 2HB ASN 65 2HB ASN 65 -15.907 -6.108 5.366 390 1HD2 ASN 65 1HD2 ASN 65 -16.664 -9.562 4.919 391 2HD2 ASN 65 2HD2 ASN 65 -18.157 -9.352 4.066 392 H VAL 66 H VAL 66 -14.876 -5.287 3.444 393 HA VAL 66 HA VAL 66 -15.608 -6.341 0.827 394 HB VAL 66 HB VAL 66 -16.372 -4.132 0.352 395 1HG1 VAL 66 1HG1 VAL 66 -18.239 -4.219 1.636 396 2HG1 VAL 66 2HG1 VAL 66 -17.519 -5.747 2.199 397 3HG1 VAL 66 3HG1 VAL 66 -17.322 -4.262 3.161 398 1HG2 VAL 66 1HG2 VAL 66 -15.285 -2.360 1.161 399 2HG2 VAL 66 2HG2 VAL 66 -16.056 -2.662 2.738 400 3HG2 VAL 66 3HG2 VAL 66 -14.460 -3.362 2.379 401 H ASP 67 H ASP 67 -14.641 -3.827 -0.492 402 HA ASP 67 HA ASP 67 -11.780 -4.212 -0.217 403 2HB ASP 67 2HB ASP 67 -12.055 -3.829 -2.940 404 HD2 ASP 67 HD2 ASP 67 -11.315 -7.253 -3.465 405 H GLU 68 H GLU 68 -10.688 -2.209 -0.342 406 HA GLU 68 HA GLU 68 -12.045 -0.031 -1.660 407 2HB GLU 68 2HB GLU 68 -10.914 0.769 0.960 408 2HG GLU 68 2HG GLU 68 -12.253 2.245 -0.603 409 HE2 GLU 68 HE2 GLU 68 -15.184 1.727 -1.809 410 H LEU 69 H LEU 69 -10.603 1.507 -2.541 411 HA LEU 69 HA LEU 69 -7.782 1.146 -1.861 412 2HB LEU 69 2HB LEU 69 -9.016 0.986 -4.604 413 HG LEU 69 HG LEU 69 -6.778 0.849 -5.554 414 1HD1 LEU 69 1HD1 LEU 69 -6.501 3.487 -4.304 415 2HD1 LEU 69 2HD1 LEU 69 -6.742 3.038 -6.009 416 3HD1 LEU 69 3HD1 LEU 69 -8.139 3.148 -4.912 417 1HD2 LEU 69 1HD2 LEU 69 -5.449 0.092 -3.739 418 2HD2 LEU 69 2HD2 LEU 69 -4.825 1.695 -4.199 419 3HD2 LEU 69 3HD2 LEU 69 -5.851 1.520 -2.755 420 H HIS 70 H HIS 70 -6.704 3.056 -1.597 421 HA HIS 70 HA HIS 70 -7.835 5.424 -2.821 422 2HB HIS 70 2HB HIS 70 -8.810 6.169 -0.974 423 HD1 HIS 70 HD1 HIS 70 -10.449 4.843 0.349 424 HD2 HIS 70 HD2 HIS 70 -6.516 3.506 0.936 425 HE1 HIS 70 HE1 HIS 70 -10.584 2.952 2.057 426 H ILE 71 H ILE 71 -6.270 6.990 -3.305 427 HA ILE 71 HA ILE 71 -3.579 6.460 -2.289 428 HB ILE 71 HB ILE 71 -3.478 5.355 -4.336 429 2HG1 ILE 71 2HG1 ILE 71 -1.587 6.814 -4.041 430 1HG2 ILE 71 1HG2 ILE 71 -4.742 7.657 -5.820 431 2HG2 ILE 71 2HG2 ILE 71 -4.473 5.983 -6.364 432 3HG2 ILE 71 3HG2 ILE 71 -5.706 6.331 -5.127 433 1HD1 ILE 71 1HD1 ILE 71 -1.837 5.644 -6.259 434 2HD1 ILE 71 2HD1 ILE 71 -2.614 7.111 -6.900 435 3HD1 ILE 71 3HD1 ILE 71 -0.917 7.163 -6.368 436 H ASP 72 H ASP 72 -2.550 8.284 -1.612 437 HA ASP 72 HA ASP 72 -3.478 10.795 -2.700 438 2HB ASP 72 2HB ASP 72 -3.004 10.833 0.239 439 HD2 ASP 72 HD2 ASP 72 -6.239 12.792 -0.298 440 H GLY 73 H GLY 73 -1.758 12.360 -2.747 441 1HA GLY 73 1HA GLY 73 0.763 11.583 -1.423 442 2HA GLY 73 2HA GLY 73 0.728 11.982 -3.129 443 H ASN 74 H ASN 74 1.693 13.266 -0.333 444 HA ASN 74 HA ASN 74 1.088 15.935 -1.259 445 2HB ASN 74 2HB ASN 74 0.791 16.580 1.259 446 1HD2 ASN 74 1HD2 ASN 74 -0.923 17.740 0.845 447 2HD2 ASN 74 2HD2 ASN 74 -2.450 17.183 0.246 448 H TYR 75 H TYR 75 2.922 17.296 -0.995 449 HA TYR 75 HA TYR 75 5.386 16.106 -0.425 450 2HB TYR 75 2HB TYR 75 4.535 19.062 -0.282 451 HD1 TYR 75 HD1 TYR 75 7.176 16.586 -1.184 452 HD2 TYR 75 HD2 TYR 75 6.229 20.700 -0.486 453 HE1 TYR 75 HE1 TYR 75 9.649 17.175 -1.252 454 HE2 TYR 75 HE2 TYR 75 8.705 21.274 -0.556 455 HH TYR 75 HH TYR 75 10.776 20.169 -1.712 456 H GLN 76 H GLN 76 2.902 17.141 1.701 457 HA GLN 76 HA GLN 76 4.834 17.716 3.791 458 2HB GLN 76 2HB GLN 76 1.802 18.051 3.825 459 2HG GLN 76 2HG GLN 76 3.417 19.782 5.552 460 1HE2 GLN 76 1HE2 GLN 76 1.380 20.674 5.786 461 2HE2 GLN 76 2HE2 GLN 76 0.114 19.927 6.701 462 H LEU 77 H LEU 77 3.161 15.119 2.449 463 HA LEU 77 HA LEU 77 2.026 13.765 4.525 464 2HB LEU 77 2HB LEU 77 3.688 12.572 2.304 465 HG LEU 77 HG LEU 77 1.708 11.432 4.189 466 1HD1 LEU 77 1HD1 LEU 77 1.253 9.775 2.083 467 2HD1 LEU 77 2HD1 LEU 77 0.154 11.073 2.607 468 3HD1 LEU 77 3HD1 LEU 77 1.292 11.357 1.268 469 1HD2 LEU 77 1HD2 LEU 77 3.501 10.140 4.454 470 2HD2 LEU 77 2HD2 LEU 77 3.079 9.398 2.892 471 3HD2 LEU 77 3HD2 LEU 77 4.252 10.735 2.953 472 H GLY 78 H GLY 78 5.461 13.321 3.405 473 1HA GLY 78 1HA GLY 78 6.927 13.679 5.548 474 2HA GLY 78 2HA GLY 78 6.103 12.213 6.038 475 H ARG 79 H ARG 79 7.045 13.102 2.674 476 HA ARG 79 HA ARG 79 8.181 12.005 1.186 477 2HB ARG 79 2HB ARG 79 10.540 11.627 1.681 478 2HG ARG 79 2HG ARG 79 10.532 13.636 3.704 479 2HD ARG 79 2HD ARG 79 10.387 14.475 0.834 480 HE ARG 79 HE ARG 79 12.830 14.980 2.257 481 1HH1 ARG 79 1HH1 ARG 79 9.403 15.878 2.319 482 2HH1 ARG 79 2HH1 ARG 79 9.691 17.415 3.065 483 2HH2 ARG 79 2HH2 ARG 79 11.938 18.057 3.598 484 H ASN 80 H ASN 80 6.208 10.343 1.948 485 HA ASN 80 HA ASN 80 7.544 7.807 2.482 486 2HB ASN 80 2HB ASN 80 4.609 7.760 2.719 487 1HD2 ASN 80 1HD2 ASN 80 7.415 8.251 4.862 488 2HD2 ASN 80 2HD2 ASN 80 7.335 6.727 5.682 489 H VAL 81 H VAL 81 7.669 6.531 0.630 490 HA VAL 81 HA VAL 81 5.512 6.844 -1.342 491 HB VAL 81 HB VAL 81 7.389 7.854 -2.309 492 1HG1 VAL 81 1HG1 VAL 81 9.625 6.580 -2.420 493 2HG1 VAL 81 2HG1 VAL 81 9.180 7.344 -0.876 494 3HG1 VAL 81 3HG1 VAL 81 8.976 5.588 -1.092 495 1HG2 VAL 81 1HG2 VAL 81 7.357 6.732 -4.258 496 2HG2 VAL 81 2HG2 VAL 81 8.026 5.252 -3.529 497 3HG2 VAL 81 3HG2 VAL 81 6.282 5.589 -3.418 498 H LEU 82 H LEU 82 4.242 5.066 -1.226 499 HA LEU 82 HA LEU 82 5.631 2.495 -0.924 500 2HB LEU 82 2HB LEU 82 3.514 1.737 0.226 501 HG LEU 82 HG LEU 82 4.124 2.373 2.380 502 1HD1 LEU 82 1HD1 LEU 82 5.935 1.197 1.179 503 2HD1 LEU 82 2HD1 LEU 82 6.663 2.770 0.775 504 3HD1 LEU 82 3HD1 LEU 82 6.540 2.257 2.475 505 1HD2 LEU 82 1HD2 LEU 82 5.658 4.501 2.649 506 2HD2 LEU 82 2HD2 LEU 82 4.862 4.990 1.134 507 3HD2 LEU 82 3HD2 LEU 82 3.884 4.642 2.579 508 H LEU 83 H LEU 83 5.439 1.241 -2.694 509 HA LEU 83 HA LEU 83 3.096 1.734 -4.398 510 2HB LEU 83 2HB LEU 83 5.519 0.492 -5.555 511 HG LEU 83 HG LEU 83 3.232 1.677 -6.607 512 1HD1 LEU 83 1HD1 LEU 83 4.364 3.885 -6.000 513 2HD1 LEU 83 2HD1 LEU 83 5.529 3.511 -7.293 514 3HD1 LEU 83 3HD1 LEU 83 3.800 3.689 -7.677 515 1HD2 LEU 83 1HD2 LEU 83 5.895 0.909 -7.799 516 2HD2 LEU 83 2HD2 LEU 83 4.363 0.003 -7.803 517 3HD2 LEU 83 3HD2 LEU 83 4.532 1.471 -8.796 518 H LYS 84 H LYS 84 1.616 0.161 -4.081 519 HA LYS 84 HA LYS 84 2.658 -2.577 -3.874 520 2HB LYS 84 2HB LYS 84 0.089 -2.073 -2.532 521 2HG LYS 84 2HG LYS 84 2.637 -3.212 -1.345 522 2HD LYS 84 2HD LYS 84 -0.353 -3.596 -0.999 523 2HE LYS 84 2HE LYS 84 1.872 -5.584 -0.480 524 1HZ LYS 84 1HZ LYS 84 0.421 -4.794 1.603 525 2HZ LYS 84 2HZ LYS 84 -0.624 -5.885 0.995 526 H ASN 85 H ASN 85 2.043 -3.803 -5.564 527 HA ASN 85 HA ASN 85 -0.379 -2.939 -6.939 528 2HB ASN 85 2HB ASN 85 2.129 -4.357 -7.968 529 1HD2 ASN 85 1HD2 ASN 85 1.922 -3.789 -10.550 530 2HD2 ASN 85 2HD2 ASN 85 0.567 -4.566 -11.298 531 H GLY 86 H GLY 86 -2.076 -4.396 -6.662 532 1HA GLY 86 1HA GLY 86 -1.375 -7.218 -6.112 533 2HA GLY 86 2HA GLY 86 -2.723 -6.372 -5.378 534 H GLU 87 H GLU 87 -1.902 -8.543 -7.787 535 HA GLU 87 HA GLU 87 -4.289 -7.805 -9.292 536 2HB GLU 87 2HB GLU 87 -1.966 -7.515 -10.464 537 2HG GLU 87 2HG GLU 87 -1.134 -9.565 -11.552 538 HE2 GLU 87 HE2 GLU 87 0.170 -8.884 -8.166 539 H ASP 88 H ASP 88 -5.875 -9.327 -9.127 540 HA ASP 88 HA ASP 88 -5.026 -12.087 -8.927 541 2HB ASP 88 2HB ASP 88 -5.439 -11.746 -6.641 542 HD2 ASP 88 HD2 ASP 88 -8.298 -11.268 -5.808 543 H ARG 89 H ARG 89 -6.751 -13.585 -9.682 544 HA ARG 89 HA ARG 89 -9.027 -12.215 -10.849 545 2HB ARG 89 2HB ARG 89 -8.110 -12.573 -12.914 546 2HG ARG 89 2HG ARG 89 -5.892 -13.077 -11.685 547 2HD ARG 89 2HD ARG 89 -6.580 -15.261 -10.697 548 HE ARG 89 HE ARG 89 -7.126 -15.964 -13.516 549 1HH1 ARG 89 1HH1 ARG 89 -6.681 -17.146 -10.206 550 2HH1 ARG 89 2HH1 ARG 89 -7.481 -18.653 -10.503 551 2HH2 ARG 89 2HH2 ARG 89 -8.356 -19.105 -12.688 552 H LEU 90 H LEU 90 -10.980 -13.347 -10.597 553 HA LEU 90 HA LEU 90 -10.882 -16.175 -10.005 554 2HB LEU 90 2HB LEU 90 -10.922 -15.941 -7.814 555 HG LEU 90 HG LEU 90 -11.154 -13.027 -8.373 556 1HD1 LEU 90 1HD1 LEU 90 -11.982 -14.247 -5.726 557 2HD1 LEU 90 2HD1 LEU 90 -11.596 -12.527 -5.982 558 3HD1 LEU 90 3HD1 LEU 90 -12.983 -13.264 -6.823 559 1HD2 LEU 90 1HD2 LEU 90 -9.087 -14.667 -7.760 560 2HD2 LEU 90 2HD2 LEU 90 -9.110 -12.917 -7.436 561 3HD2 LEU 90 3HD2 LEU 90 -9.520 -14.068 -6.141 562 H ARG 91 H ARG 91 -13.074 -17.152 -10.075 563 HA ARG 91 HA ARG 91 -14.480 -16.117 -12.216 564 2HB ARG 91 2HB ARG 91 -16.300 -17.829 -11.110 565 2HG ARG 91 2HG ARG 91 -14.206 -19.541 -12.013 566 2HD ARG 91 2HD ARG 91 -16.684 -19.538 -12.633 567 HE ARG 91 HE ARG 91 -16.386 -16.976 -13.443 568 1HH1 ARG 91 1HH1 ARG 91 -16.905 -19.899 -15.376 569 2HH1 ARG 91 2HH1 ARG 91 -17.727 -19.060 -16.649 570 2HH2 ARG 91 2HH2 ARG 91 -18.047 -16.692 -16.479 571 H PHE 92 H PHE 92 -14.821 -15.762 -8.681 572 HA PHE 92 HA PHE 92 -17.431 -14.863 -8.554 573 2HB PHE 92 2HB PHE 92 -14.901 -14.032 -7.009 574 HD1 PHE 92 HD1 PHE 92 -15.129 -12.562 -5.246 575 HD2 PHE 92 HD2 PHE 92 -18.589 -14.540 -6.702 576 HE1 PHE 92 HE1 PHE 92 -16.555 -11.227 -3.671 577 HE2 PHE 92 HE2 PHE 92 -20.015 -13.206 -5.126 578 HZ PHE 92 HZ PHE 92 -18.982 -11.565 -3.629 579 H TYR 93 H TYR 93 -14.470 -13.257 -9.671 580 HA TYR 93 HA TYR 93 -15.705 -10.641 -9.563 581 2HB TYR 93 2HB TYR 93 -13.327 -10.557 -11.063 582 HD1 TYR 93 HD1 TYR 93 -14.012 -11.460 -7.475 583 HD2 TYR 93 HD2 TYR 93 -12.240 -8.698 -10.220 584 HE1 TYR 93 HE1 TYR 93 -13.277 -9.992 -5.534 585 HE2 TYR 93 HE2 TYR 93 -11.511 -7.239 -8.270 586 HH TYR 93 HH TYR 93 -12.405 -8.096 -4.945 587 H VAL 94 H VAL 94 -16.490 -9.466 -11.305 588 HA VAL 94 HA VAL 94 -16.897 -11.033 -13.729 589 HB VAL 94 HB VAL 94 -18.661 -9.709 -12.263 590 1HG1 VAL 94 1HG1 VAL 94 -17.133 -7.577 -13.087 591 2HG1 VAL 94 2HG1 VAL 94 -18.457 -7.572 -14.277 592 3HG1 VAL 94 3HG1 VAL 94 -18.823 -7.482 -12.538 593 1HG2 VAL 94 1HG2 VAL 94 -18.683 -9.733 -15.301 594 2HG2 VAL 94 2HG2 VAL 94 -19.165 -11.077 -14.237 595 3HG2 VAL 94 3HG2 VAL 94 -20.107 -9.567 -14.245 596 H LYS 95 H LYS 95 -14.754 -8.730 -12.418 597 HA LYS 95 HA LYS 95 -14.285 -7.458 -14.997 598 2HB LYS 95 2HB LYS 95 -12.669 -6.069 -13.617 599 2HG LYS 95 2HG LYS 95 -15.659 -6.191 -13.119 600 2HD LYS 95 2HD LYS 95 -14.307 -3.697 -12.293 601 2HE LYS 95 2HE LYS 95 -16.688 -5.289 -11.671 602 1HZ LYS 95 1HZ LYS 95 -16.665 -5.199 -9.389 603 2HZ LYS 95 2HZ LYS 95 -15.067 -5.437 -9.600 604 H PHE 96 H PHE 96 -12.302 -9.031 -12.381 605 HA PHE 96 HA PHE 96 -10.241 -9.913 -12.573 606 2HB PHE 96 2HB PHE 96 -11.787 -11.818 -12.809 607 HD1 PHE 96 HD1 PHE 96 -10.838 -12.103 -16.293 608 HD2 PHE 96 HD2 PHE 96 -13.994 -11.063 -13.654 609 HE1 PHE 96 HE1 PHE 96 -12.482 -12.313 -18.177 610 HE2 PHE 96 HE2 PHE 96 -15.638 -11.272 -15.538 611 HZ PHE 96 HZ PHE 96 -14.863 -11.894 -17.778 612 H GLY 97 H GLY 97 -9.802 -7.674 -13.898 613 1HA GLY 97 1HA GLY 97 -8.045 -8.471 -16.039 614 2HA GLY 97 2HA GLY 97 -9.427 -7.538 -16.581 615 HA PRO 98 HA PRO 98 -7.558 -3.895 -15.146 616 2HB PRO 98 2HB PRO 98 -9.272 -2.557 -15.902 617 2HG PRO 98 2HG PRO 98 -11.321 -3.606 -16.045 618 2HD PRO 98 2HD PRO 98 -10.646 -5.794 -16.252 619 H GLY 99 H GLY 99 -6.720 -5.671 -13.470 620 1HA GLY 99 1HA GLY 99 -7.356 -4.580 -10.799 621 2HA GLY 99 2HA GLY 99 -6.794 -6.205 -11.133 622 H ALA 100 H ALA 100 -5.548 -3.182 -12.649 623 HA ALA 100 HA ALA 100 -2.932 -3.843 -11.508 624 1HB ALA 100 1HB ALA 100 -2.029 -3.113 -13.470 625 2HB ALA 100 2HB ALA 100 -3.663 -3.426 -14.101 626 3HB ALA 100 3HB ALA 100 -3.193 -1.775 -13.629 627 H VAL 101 H VAL 101 -1.539 -1.914 -10.900 628 HA VAL 101 HA VAL 101 -2.907 -0.369 -9.002 629 HB VAL 101 HB VAL 101 -0.597 -1.045 -8.766 630 1HG1 VAL 101 1HG1 VAL 101 -0.290 0.373 -11.371 631 2HG1 VAL 101 2HG1 VAL 101 1.054 0.497 -10.211 632 3HG1 VAL 101 3HG1 VAL 101 0.500 -1.102 -10.765 633 1HG2 VAL 101 1HG2 VAL 101 -0.095 0.764 -7.531 634 2HG2 VAL 101 2HG2 VAL 101 -0.099 1.845 -8.945 635 3HG2 VAL 101 3HG2 VAL 101 -1.630 1.433 -8.135 636 H ILE 102 H ILE 102 -1.942 0.170 -12.400 637 HA ILE 102 HA ILE 102 -2.364 2.948 -12.395 638 HB ILE 102 HB ILE 102 -1.760 0.832 -14.287 639 2HG1 ILE 102 2HG1 ILE 102 -0.647 3.214 -13.378 640 1HG2 ILE 102 1HG2 ILE 102 -2.603 2.086 -16.288 641 2HG2 ILE 102 2HG2 ILE 102 -3.863 1.286 -15.317 642 3HG2 ILE 102 3HG2 ILE 102 -3.618 3.045 -15.184 643 1HD1 ILE 102 1HD1 ILE 102 0.799 2.540 -15.667 644 2HD1 ILE 102 2HD1 ILE 102 1.035 1.836 -14.049 645 3HD1 ILE 102 3HD1 ILE 102 -0.008 1.014 -15.234 646 H LYS 103 H LYS 103 -4.495 0.108 -12.979 647 HA LYS 103 HA LYS 103 -6.701 1.622 -13.841 648 2HB LYS 103 2HB LYS 103 -7.686 -0.729 -12.697 649 2HG LYS 103 2HG LYS 103 -7.251 0.458 -15.295 650 2HD LYS 103 2HD LYS 103 -7.282 -2.203 -16.162 651 2HE LYS 103 2HE LYS 103 -5.185 -0.014 -16.127 652 1HZ LYS 103 1HZ LYS 103 -4.205 -2.392 -16.119 653 2HZ LYS 103 2HZ LYS 103 -4.795 -2.520 -17.632 654 H GLU 104 H GLU 104 -5.418 0.698 -10.641 655 HA GLU 104 HA GLU 104 -7.546 1.056 -9.062 656 2HB GLU 104 2HB GLU 104 -4.861 0.759 -8.656 657 2HG GLU 104 2HG GLU 104 -5.613 3.523 -7.586 658 HE2 GLU 104 HE2 GLU 104 -3.292 3.812 -5.575 659 H PHE 105 H PHE 105 -5.680 3.563 -10.790 660 HA PHE 105 HA PHE 105 -6.361 5.829 -9.504 661 2HB PHE 105 2HB PHE 105 -6.640 6.582 -12.118 662 HD1 PHE 105 HD1 PHE 105 -4.900 8.011 -12.639 663 HD2 PHE 105 HD2 PHE 105 -4.073 4.552 -10.323 664 HE1 PHE 105 HE1 PHE 105 -2.530 8.780 -12.336 665 HE2 PHE 105 HE2 PHE 105 -1.703 5.322 -10.020 666 HZ PHE 105 HZ PHE 105 -0.960 7.427 -11.030 667 H LYS 106 H LYS 106 -8.475 3.780 -11.542 668 HA LYS 106 HA LYS 106 -10.524 5.382 -12.154 669 2HB LYS 106 2HB LYS 106 -11.947 3.243 -11.466 670 2HG LYS 106 2HG LYS 106 -10.167 3.934 -13.714 671 2HD LYS 106 2HD LYS 106 -9.174 1.776 -13.547 672 2HE LYS 106 2HE LYS 106 -11.677 1.114 -12.178 673 1HZ LYS 106 1HZ LYS 106 -12.203 -0.128 -14.161 674 2HZ LYS 106 2HZ LYS 106 -10.706 -0.760 -14.267 675 H ILE 107 H ILE 107 -9.762 4.071 -8.890 676 HA ILE 107 HA ILE 107 -11.946 4.643 -7.475 677 HB ILE 107 HB ILE 107 -10.432 5.208 -5.594 678 2HG1 ILE 107 2HG1 ILE 107 -8.640 5.896 -7.732 679 1HG2 ILE 107 1HG2 ILE 107 -10.131 3.022 -5.307 680 2HG2 ILE 107 2HG2 ILE 107 -10.772 2.811 -6.953 681 3HG2 ILE 107 3HG2 ILE 107 -9.016 2.913 -6.689 682 1HD1 ILE 107 1HD1 ILE 107 -8.164 5.884 -4.720 683 2HD1 ILE 107 2HD1 ILE 107 -7.409 6.945 -5.934 684 3HD1 ILE 107 3HD1 ILE 107 -9.138 7.123 -5.549 685 H THR 108 H THR 108 -9.789 6.988 -9.047 686 HA THR 108 HA THR 108 -11.781 9.030 -8.672 687 HB THR 108 HB THR 108 -9.922 10.567 -7.652 688 HG1 THR 108 HG1 THR 108 -8.983 7.819 -7.483 689 1HG2 THR 108 1HG2 THR 108 -10.424 9.904 -5.377 690 2HG2 THR 108 2HG2 THR 108 -11.889 9.538 -6.320 691 3HG2 THR 108 3HG2 THR 108 -10.767 8.230 -5.874 692 H ASP 109 H ASP 109 -8.226 8.890 -9.391 693 HA ASP 109 HA ASP 109 -8.345 10.696 -11.421 694 2HB ASP 109 2HB ASP 109 -6.208 9.598 -12.222 695 HD2 ASP 109 HD2 ASP 109 -5.603 11.781 -9.407 Start of MODEL 7 1 1H MET 1 1H MET 1 6.271 16.367 -7.847 2 HA MET 1 HA MET 1 5.190 16.566 -5.326 3 2HB MET 1 2HB MET 1 3.773 14.798 -7.289 4 2HG MET 1 2HG MET 1 3.012 17.567 -6.263 5 1HE MET 1 1HE MET 1 -0.029 14.326 -6.556 6 2HE MET 1 2HE MET 1 1.221 14.695 -5.344 7 3HE MET 1 3HE MET 1 -0.220 15.730 -5.479 8 H SER 2 H SER 2 3.748 14.709 -4.321 9 HA SER 2 HA SER 2 5.441 12.335 -4.246 10 2HB SER 2 2HB SER 2 5.623 12.959 -2.054 11 HG SER 2 HG SER 2 3.972 14.285 -0.976 12 H GLU 3 H GLU 3 4.427 10.281 -4.391 13 HA GLU 3 HA GLU 3 1.533 10.340 -4.628 14 2HB GLU 3 2HB GLU 3 2.446 8.425 -6.519 15 2HG GLU 3 2HG GLU 3 0.747 10.771 -6.379 16 HE2 GLU 3 HE2 GLU 3 0.300 11.441 -9.250 17 H VAL 4 H VAL 4 0.643 8.834 -3.283 18 HA VAL 4 HA VAL 4 2.219 6.416 -2.767 19 HB VAL 4 HB VAL 4 2.587 7.814 -0.881 20 1HG1 VAL 4 1HG1 VAL 4 -0.378 8.136 -0.411 21 2HG1 VAL 4 2HG1 VAL 4 0.975 9.054 0.290 22 3HG1 VAL 4 3HG1 VAL 4 0.535 9.286 -1.419 23 1HG2 VAL 4 1HG2 VAL 4 0.828 5.455 -0.630 24 2HG2 VAL 4 2HG2 VAL 4 2.381 5.822 0.157 25 3HG2 VAL 4 3HG2 VAL 4 0.872 6.511 0.803 26 H ASN 5 H ASN 5 1.089 4.621 -3.292 27 HA ASN 5 HA ASN 5 -1.774 4.710 -2.896 28 2HB ASN 5 2HB ASN 5 -2.223 4.747 -5.134 29 1HD2 ASN 5 1HD2 ASN 5 -1.592 6.195 -6.523 30 2HD2 ASN 5 2HD2 ASN 5 0.026 6.516 -7.053 31 H ILE 6 H ILE 6 -2.049 2.955 -1.504 32 HA ILE 6 HA ILE 6 -0.739 0.454 -2.259 33 HB ILE 6 HB ILE 6 -0.707 1.717 0.481 34 2HG1 ILE 6 2HG1 ILE 6 1.261 1.431 -1.703 35 1HG2 ILE 6 1HG2 ILE 6 -0.383 -1.112 -0.394 36 2HG2 ILE 6 2HG2 ILE 6 0.729 -0.494 0.851 37 3HG2 ILE 6 3HG2 ILE 6 -1.028 -0.440 1.122 38 1HD1 ILE 6 1HD1 ILE 6 2.107 3.145 0.408 39 2HD1 ILE 6 2HD1 ILE 6 1.403 3.622 -1.157 40 3HD1 ILE 6 3HD1 ILE 6 0.347 3.370 0.255 41 H VAL 7 H VAL 7 -2.333 -0.969 -2.682 42 HA VAL 7 HA VAL 7 -4.546 -1.101 -0.798 43 HB VAL 7 HB VAL 7 -4.959 -0.904 -3.786 44 1HG1 VAL 7 1HG1 VAL 7 -7.219 -0.477 -1.935 45 2HG1 VAL 7 2HG1 VAL 7 -7.131 -1.412 -3.448 46 3HG1 VAL 7 3HG1 VAL 7 -6.551 -2.126 -1.924 47 1HG2 VAL 7 1HG2 VAL 7 -5.880 1.307 -3.424 48 2HG2 VAL 7 2HG2 VAL 7 -5.595 1.180 -1.672 49 3HG2 VAL 7 3HG2 VAL 7 -4.216 1.255 -2.793 50 H VAL 8 H VAL 8 -5.291 -3.202 -0.486 51 HA VAL 8 HA VAL 8 -3.918 -5.228 -2.115 52 HB VAL 8 HB VAL 8 -4.685 -5.234 0.809 53 1HG1 VAL 8 1HG1 VAL 8 -5.079 -7.446 0.242 54 2HG1 VAL 8 2HG1 VAL 8 -3.841 -7.454 -1.036 55 3HG1 VAL 8 3HG1 VAL 8 -3.353 -7.490 0.676 56 1HG2 VAL 8 1HG2 VAL 8 -2.536 -4.045 -0.145 57 2HG2 VAL 8 2HG2 VAL 8 -2.442 -5.047 1.322 58 3HG2 VAL 8 3HG2 VAL 8 -1.913 -5.710 -0.243 59 H ASN 9 H ASN 9 -5.197 -6.626 -3.235 60 HA ASN 9 HA ASN 9 -8.022 -6.568 -2.517 61 2HB ASN 9 2HB ASN 9 -8.102 -7.449 -5.085 62 1HD2 ASN 9 1HD2 ASN 9 -7.055 -4.818 -6.280 63 2HD2 ASN 9 2HD2 ASN 9 -8.261 -3.641 -5.877 64 H GLY 10 H GLY 10 -8.589 -8.536 -1.577 65 1HA GLY 10 1HA GLY 10 -8.870 -10.779 -1.410 66 2HA GLY 10 2HA GLY 10 -7.937 -11.011 -2.876 67 H ARG 11 H ARG 11 -6.769 -9.137 -0.050 68 HA ARG 11 HA ARG 11 -4.890 -9.321 1.044 69 2HB ARG 11 2HB ARG 11 -4.798 -11.227 2.581 70 2HG ARG 11 2HG ARG 11 -7.747 -11.214 2.061 71 2HD ARG 11 2HD ARG 11 -7.626 -10.351 4.503 72 HE ARG 11 HE ARG 11 -6.858 -13.053 3.585 73 1HH1 ARG 11 1HH1 ARG 11 -7.855 -11.026 6.315 74 2HH1 ARG 11 2HH1 ARG 11 -8.379 -12.367 7.279 75 2HH2 ARG 11 2HH2 ARG 11 -8.191 -14.589 6.400 76 H GLU 12 H GLU 12 -3.980 -9.375 -1.416 77 HA GLU 12 HA GLU 12 -2.350 -11.789 -1.613 78 2HB GLU 12 2HB GLU 12 -2.160 -11.060 -4.097 79 2HG GLU 12 2HG GLU 12 -4.914 -11.680 -4.135 80 HE2 GLU 12 HE2 GLU 12 -3.075 -14.989 -3.984 81 H ALA 13 H ALA 13 -0.122 -11.561 -1.603 82 HA ALA 13 HA ALA 13 0.960 -8.884 -2.019 83 1HB ALA 13 1HB ALA 13 2.392 -9.230 0.042 84 2HB ALA 13 2HB ALA 13 0.664 -8.960 0.371 85 3HB ALA 13 3HB ALA 13 1.341 -10.604 0.459 86 H GLY 14 H GLY 14 3.185 -8.901 -2.704 87 1HA GLY 14 1HA GLY 14 4.436 -11.510 -3.103 88 2HA GLY 14 2HA GLY 14 3.997 -10.614 -4.544 89 H SER 15 H SER 15 5.279 -9.544 -1.313 90 HA SER 15 HA SER 15 7.765 -8.850 -2.531 91 2HB SER 15 2HB SER 15 6.580 -6.850 -3.158 92 HG SER 15 HG SER 15 5.140 -5.816 -1.886 93 H LYS 16 H LYS 16 9.020 -7.401 -0.633 94 HA LYS 16 HA LYS 16 8.924 -9.161 1.645 95 2HB LYS 16 2HB LYS 16 11.086 -8.660 0.785 96 2HG LYS 16 2HG LYS 16 11.414 -5.874 1.351 97 2HD LYS 16 2HD LYS 16 11.634 -7.741 -0.960 98 2HE LYS 16 2HE LYS 16 11.947 -4.883 -1.736 99 1HZ LYS 16 1HZ LYS 16 10.917 -5.856 -3.768 100 2HZ LYS 16 2HZ LYS 16 12.267 -6.652 -3.325 101 H SER 17 H SER 17 6.863 -6.866 0.796 102 HA SER 17 HA SER 17 6.962 -4.952 2.764 103 2HB SER 17 2HB SER 17 5.502 -4.739 0.822 104 HG SER 17 HG SER 17 4.507 -7.209 1.762 105 H LYS 18 H LYS 18 6.384 -8.343 3.003 106 HA LYS 18 HA LYS 18 4.614 -8.234 5.244 107 2HB LYS 18 2HB LYS 18 5.093 -10.691 5.337 108 2HG LYS 18 2HG LYS 18 4.082 -11.182 3.082 109 2HD LYS 18 2HD LYS 18 2.876 -8.687 4.364 110 2HE LYS 18 2HE LYS 18 0.867 -10.525 3.726 111 1HZ LYS 18 1HZ LYS 18 1.009 -8.046 3.315 112 2HZ LYS 18 2HZ LYS 18 1.793 -8.361 1.924 113 H GLY 19 H GLY 19 7.748 -7.236 4.876 114 1HA GLY 19 1HA GLY 19 8.935 -8.431 7.207 115 2HA GLY 19 2HA GLY 19 9.574 -7.131 6.222 116 H CYS 20 H CYS 20 9.802 -5.227 7.298 117 HA CYS 20 HA CYS 20 7.625 -4.381 9.010 118 2HB CYS 20 2HB CYS 20 9.968 -3.699 10.452 119 HG CYS 20 HG CYS 20 8.374 -6.288 11.460 120 H ALA 21 H ALA 21 8.047 -1.973 9.653 121 HA ALA 21 HA ALA 21 8.567 -0.520 7.332 122 1HB ALA 21 1HB ALA 21 8.877 1.105 9.688 123 2HB ALA 21 2HB ALA 21 7.489 1.004 8.578 124 3HB ALA 21 3HB ALA 21 7.589 -0.089 9.979 125 H LEU 22 H LEU 22 10.578 -1.272 10.233 126 HA LEU 22 HA LEU 22 12.806 0.134 8.980 127 2HB LEU 22 2HB LEU 22 12.751 -1.141 11.706 128 HG LEU 22 HG LEU 22 14.064 1.317 11.807 129 1HD1 LEU 22 1HD1 LEU 22 14.515 -0.874 13.000 130 2HD1 LEU 22 2HD1 LEU 22 15.438 -1.364 11.559 131 3HD1 LEU 22 3HD1 LEU 22 15.944 0.062 12.496 132 1HD2 LEU 22 1HD2 LEU 22 14.271 1.467 9.419 133 2HD2 LEU 22 2HD2 LEU 22 15.867 1.076 10.104 134 3HD2 LEU 22 3HD2 LEU 22 14.899 -0.195 9.318 135 H CYS 23 H CYS 23 12.039 -3.078 10.498 136 HA CYS 23 HA CYS 23 14.274 -4.174 8.984 137 2HB CYS 23 2HB CYS 23 12.803 -5.907 10.892 138 HG CYS 23 HG CYS 23 15.565 -5.938 11.833 139 H GLY 24 H GLY 24 13.603 -6.720 8.433 140 1HA GLY 24 1HA GLY 24 10.915 -7.149 7.624 141 2HA GLY 24 2HA GLY 24 11.882 -6.607 6.266 142 H ALA 25 H ALA 25 12.168 -8.903 9.079 143 HA ALA 25 HA ALA 25 13.500 -10.762 7.233 144 1HB ALA 25 1HB ALA 25 14.427 -9.739 9.602 145 2HB ALA 25 2HB ALA 25 13.648 -11.240 10.156 146 3HB ALA 25 3HB ALA 25 14.927 -11.304 8.918 147 H THR 26 H THR 26 10.974 -10.335 9.760 148 HA THR 26 HA THR 26 10.038 -13.056 9.266 149 HB THR 26 HB THR 26 9.858 -10.998 11.424 150 HG1 THR 26 HG1 THR 26 9.366 -13.859 11.486 151 1HG2 THR 26 1HG2 THR 26 7.485 -12.616 10.488 152 2HG2 THR 26 2HG2 THR 26 7.810 -12.555 12.237 153 3HG2 THR 26 3HG2 THR 26 7.515 -11.049 11.334 154 H TRP 27 H TRP 27 8.288 -13.588 8.083 155 HA TRP 27 HA TRP 27 6.546 -11.378 7.256 156 2HB TRP 27 2HB TRP 27 7.787 -11.547 5.335 157 HD1 TRP 27 HD1 TRP 27 7.586 -15.231 6.580 158 HE1 TRP 27 HE1 TRP 27 9.590 -16.651 5.619 159 HE3 TRP 27 HE3 TRP 27 9.443 -11.559 3.595 160 HZ2 TRP 27 HZ2 TRP 27 11.681 -16.092 3.759 161 HZ3 TRP 27 HZ3 TRP 27 11.469 -12.078 2.238 162 HH2 TRP 27 HH2 TRP 27 12.582 -14.253 2.287 163 H GLY 28 H GLY 28 4.359 -12.181 6.604 164 1HA GLY 28 1HA GLY 28 3.596 -14.877 6.951 165 2HA GLY 28 2HA GLY 28 3.305 -13.997 8.439 166 H ASP 29 H ASP 29 1.148 -15.073 7.016 167 HA ASP 29 HA ASP 29 0.037 -12.736 5.685 168 2HB ASP 29 2HB ASP 29 -0.050 -14.655 4.238 169 HD2 ASP 29 HD2 ASP 29 -0.480 -16.622 3.800 170 H TYR 30 H TYR 30 0.216 -14.195 8.670 171 HA TYR 30 HA TYR 30 -2.545 -14.316 9.383 172 2HB TYR 30 2HB TYR 30 -0.382 -15.508 10.332 173 HD1 TYR 30 HD1 TYR 30 1.852 -14.834 10.534 174 HD2 TYR 30 HD2 TYR 30 -1.194 -12.588 12.528 175 HE1 TYR 30 HE1 TYR 30 3.632 -13.449 11.710 176 HE2 TYR 30 HE2 TYR 30 0.594 -11.210 13.696 177 HH TYR 30 HH TYR 30 2.868 -11.377 14.322 178 H HIS 31 H HIS 31 -0.175 -11.781 9.055 179 HA HIS 31 HA HIS 31 -1.817 -10.058 10.759 180 2HB HIS 31 2HB HIS 31 0.367 -10.043 11.613 181 HD1 HIS 31 HD1 HIS 31 0.800 -9.606 7.833 182 HD2 HIS 31 HD2 HIS 31 3.023 -10.633 11.239 183 HE1 HIS 31 HE1 HIS 31 3.098 -10.334 6.994 184 H ALA 32 H ALA 32 -2.103 -7.774 9.950 185 HA ALA 32 HA ALA 32 -2.564 -7.883 7.062 186 1HB ALA 32 1HB ALA 32 -3.630 -5.736 8.884 187 2HB ALA 32 2HB ALA 32 -4.355 -6.446 7.421 188 3HB ALA 32 3HB ALA 32 -4.349 -7.362 8.948 189 H ASP 33 H ASP 33 -1.569 -6.459 5.655 190 HA ASP 33 HA ASP 33 0.655 -5.050 6.766 191 2HB ASP 33 2HB ASP 33 0.199 -6.362 4.380 192 HD2 ASP 33 HD2 ASP 33 1.747 -3.866 3.329 193 H PHE 34 H PHE 34 1.014 -2.694 6.321 194 HA PHE 34 HA PHE 34 -1.536 -1.271 6.188 195 2HB PHE 34 2HB PHE 34 0.153 0.594 7.044 196 HD1 PHE 34 HD1 PHE 34 0.614 0.873 9.534 197 HD2 PHE 34 HD2 PHE 34 -1.418 -2.492 7.937 198 HE1 PHE 34 HE1 PHE 34 -0.340 0.374 11.801 199 HE2 PHE 34 HE2 PHE 34 -2.372 -2.992 10.203 200 HZ PHE 34 HZ PHE 34 -1.822 -1.553 12.108 201 H LEU 35 H LEU 35 -1.005 1.188 5.343 202 HA LEU 35 HA LEU 35 -0.630 0.894 2.591 203 2HB LEU 35 2HB LEU 35 -0.382 3.513 2.868 204 HG LEU 35 HG LEU 35 -3.000 3.351 3.700 205 1HD1 LEU 35 1HD1 LEU 35 -2.697 4.580 1.809 206 2HD1 LEU 35 2HD1 LEU 35 -1.601 3.388 1.068 207 3HD1 LEU 35 3HD1 LEU 35 -3.357 3.098 1.077 208 1HD2 LEU 35 1HD2 LEU 35 -2.585 0.877 2.025 209 2HD2 LEU 35 2HD2 LEU 35 -2.624 0.820 3.803 210 3HD2 LEU 35 3HD2 LEU 35 -4.040 1.410 2.900 211 H GLY 36 H GLY 36 1.618 1.165 5.235 212 1HA GLY 36 1HA GLY 36 3.770 2.207 3.577 213 2HA GLY 36 2HA GLY 36 3.829 1.796 5.279 214 H GLU 37 H GLU 37 2.471 -0.373 2.770 215 HA GLU 37 HA GLU 37 2.924 -2.512 2.457 216 2HB GLU 37 2HB GLU 37 4.155 -1.513 0.642 217 2HG GLU 37 2HG GLU 37 6.311 -1.070 2.747 218 HE2 GLU 37 HE2 GLU 37 7.335 -1.555 -1.079 219 H ASP 38 H ASP 38 3.153 -1.951 5.230 220 HA ASP 38 HA ASP 38 5.049 -4.003 5.909 221 2HB ASP 38 2HB ASP 38 6.000 -2.675 7.784 222 HD2 ASP 38 HD2 ASP 38 8.279 -2.371 5.360 223 H LEU 39 H LEU 39 4.620 -4.768 8.242 224 HA LEU 39 HA LEU 39 1.935 -3.991 9.134 225 2HB LEU 39 2HB LEU 39 1.296 -5.983 8.356 226 HG LEU 39 HG LEU 39 2.655 -7.991 8.050 227 1HD1 LEU 39 1HD1 LEU 39 2.841 -5.592 6.573 228 2HD1 LEU 39 2HD1 LEU 39 4.476 -6.294 6.616 229 3HD1 LEU 39 3HD1 LEU 39 3.109 -7.259 6.008 230 1HD2 LEU 39 1HD2 LEU 39 4.246 -7.875 9.801 231 2HD2 LEU 39 2HD2 LEU 39 5.165 -7.785 8.279 232 3HD2 LEU 39 3HD2 LEU 39 4.872 -6.308 9.231 233 H PHE 40 H PHE 40 1.680 -3.737 11.351 234 HA PHE 40 HA PHE 40 4.183 -3.929 12.855 235 2HB PHE 40 2HB PHE 40 2.546 -1.800 12.441 236 HD1 PHE 40 HD1 PHE 40 1.907 -0.972 15.461 237 HD2 PHE 40 HD2 PHE 40 0.436 -3.920 12.786 238 HE1 PHE 40 HE1 PHE 40 -0.290 -0.979 16.675 239 HE2 PHE 40 HE2 PHE 40 -1.760 -3.926 14.000 240 HZ PHE 40 HZ PHE 40 -2.097 -2.456 15.930 241 H PHE 41 H PHE 41 1.609 -5.853 12.239 242 HA PHE 41 HA PHE 41 0.758 -6.427 14.905 243 2HB PHE 41 2HB PHE 41 0.222 -8.575 13.071 244 HD1 PHE 41 HD1 PHE 41 -2.047 -6.725 11.630 245 HD2 PHE 41 HD2 PHE 41 -0.918 -7.649 15.614 246 HE1 PHE 41 HE1 PHE 41 -4.390 -6.258 12.401 247 HE2 PHE 41 HE2 PHE 41 -3.260 -7.183 16.386 248 HZ PHE 41 HZ PHE 41 -4.967 -6.493 14.771 249 H CYS 42 H CYS 42 3.674 -6.934 13.397 250 HA CYS 42 HA CYS 42 4.004 -9.640 14.402 251 2HB CYS 42 2HB CYS 42 4.963 -9.575 12.302 252 HG CYS 42 HG CYS 42 6.855 -7.539 11.670 253 H CYS 43 H CYS 43 5.727 -6.425 14.492 254 HA CYS 43 HA CYS 43 6.671 -7.176 17.159 255 2HB CYS 43 2HB CYS 43 8.451 -5.448 16.774 256 HG CYS 43 HG CYS 43 7.876 -8.142 15.020 257 H ASP 44 H ASP 44 5.773 -4.268 15.146 258 HA ASP 44 HA ASP 44 4.409 -2.614 15.563 259 2HB ASP 44 2HB ASP 44 3.378 -4.551 17.296 260 HD2 ASP 44 HD2 ASP 44 3.604 -3.903 20.482 261 H ILE 45 H ILE 45 7.298 -3.178 16.740 262 HA ILE 45 HA ILE 45 7.308 -1.056 18.760 263 HB ILE 45 HB ILE 45 8.202 -3.345 19.302 264 2HG1 ILE 45 2HG1 ILE 45 9.594 -0.745 19.675 265 1HG2 ILE 45 1HG2 ILE 45 10.323 -4.045 18.460 266 2HG2 ILE 45 2HG2 ILE 45 9.272 -3.705 17.064 267 3HG2 ILE 45 3HG2 ILE 45 10.525 -2.535 17.540 268 1HD1 ILE 45 1HD1 ILE 45 9.418 -1.881 22.105 269 2HD1 ILE 45 2HD1 ILE 45 8.018 -1.084 21.347 270 3HD1 ILE 45 3HD1 ILE 45 8.177 -2.856 21.282 271 H CYS 46 H CYS 46 9.163 -2.271 15.881 272 HA CYS 46 HA CYS 46 10.152 0.448 15.538 273 2HB CYS 46 2HB CYS 46 11.840 -1.335 15.575 274 HG CYS 46 HG CYS 46 11.422 -2.416 12.672 275 H ALA 47 H ALA 47 7.633 -1.643 14.587 276 HA ALA 47 HA ALA 47 7.448 -0.474 11.912 277 1HB ALA 47 1HB ALA 47 5.358 -2.329 12.371 278 2HB ALA 47 2HB ALA 47 6.829 -2.573 11.399 279 3HB ALA 47 3HB ALA 47 6.812 -3.035 13.118 280 H ALA 48 H ALA 48 5.047 0.032 11.260 281 HA ALA 48 HA ALA 48 3.173 1.179 11.576 282 1HB ALA 48 1HB ALA 48 2.085 0.273 13.325 283 2HB ALA 48 2HB ALA 48 3.612 -0.075 14.169 284 3HB ALA 48 3HB ALA 48 2.838 1.518 14.350 285 H GLU 49 H GLU 49 5.053 2.705 10.735 286 HA GLU 49 HA GLU 49 5.689 4.716 12.695 287 2HB GLU 49 2HB GLU 49 6.445 4.607 9.743 288 2HG GLU 49 2HG GLU 49 6.697 6.734 11.419 289 HE2 GLU 49 HE2 GLU 49 9.628 5.112 10.799 290 H PHE 50 H PHE 50 5.081 6.960 12.495 291 HA PHE 50 HA PHE 50 2.472 7.290 11.413 292 2HB PHE 50 2HB PHE 50 4.522 9.330 12.462 293 HD1 PHE 50 HD1 PHE 50 3.792 11.510 12.605 294 HD2 PHE 50 HD2 PHE 50 0.900 8.411 12.415 295 HE1 PHE 50 HE1 PHE 50 1.959 13.224 12.537 296 HE2 PHE 50 HE2 PHE 50 -0.933 10.125 12.348 297 HZ PHE 50 HZ PHE 50 -0.381 12.511 12.410 298 H MET 51 H MET 51 5.412 7.152 9.874 299 HA MET 51 HA MET 51 5.592 9.428 8.389 300 2HB MET 51 2HB MET 51 6.264 6.500 7.924 301 2HG MET 51 2HG MET 51 6.737 8.775 5.935 302 1HE MET 51 1HE MET 51 8.099 4.932 7.101 303 2HE MET 51 2HE MET 51 6.498 5.122 6.347 304 3HE MET 51 3HE MET 51 7.844 4.426 5.414 305 H ASN 52 H ASN 52 3.296 6.735 8.128 306 HA ASN 52 HA ASN 52 2.392 7.752 5.575 307 2HB ASN 52 2HB ASN 52 0.705 5.634 6.248 308 1HD2 ASN 52 1HD2 ASN 52 1.240 6.691 3.981 309 2HD2 ASN 52 2HD2 ASN 52 2.243 5.728 2.949 310 H MET 53 H MET 53 -0.290 7.425 5.522 311 HA MET 53 HA MET 53 -1.185 9.287 7.510 312 2HB MET 53 2HB MET 53 -3.244 8.200 5.700 313 2HG MET 53 2HG MET 53 -2.725 10.625 6.869 314 1HE MET 53 1HE MET 53 0.334 12.249 5.714 315 2HE MET 53 2HE MET 53 -0.547 11.304 6.938 316 3HE MET 53 3HE MET 53 0.398 10.471 5.682 317 H MET 54 H MET 54 -3.128 8.947 8.842 318 HA MET 54 HA MET 54 -3.070 6.606 10.230 319 2HB MET 54 2HB MET 54 -5.520 8.410 9.844 320 2HG MET 54 2HG MET 54 -5.263 7.842 12.543 321 1HE MET 54 1HE MET 54 -7.186 8.890 12.333 322 2HE MET 54 2HE MET 54 -8.033 8.836 10.767 323 3HE MET 54 3HE MET 54 -8.755 8.060 12.196 324 H ASP 55 H ASP 55 -4.945 7.476 7.314 325 HA ASP 55 HA ASP 55 -6.917 5.694 7.306 326 2HB ASP 55 2HB ASP 55 -5.177 6.926 5.240 327 HD2 ASP 55 HD2 ASP 55 -7.933 5.241 4.120 328 H GLU 56 H GLU 56 -3.412 5.120 6.814 329 HA GLU 56 HA GLU 56 -3.350 2.708 5.661 330 2HB GLU 56 2HB GLU 56 -1.330 3.943 6.268 331 2HG GLU 56 2HG GLU 56 -2.489 4.334 8.728 332 HE2 GLU 56 HE2 GLU 56 -1.735 1.167 8.489 333 H ALA 57 H ALA 57 -4.185 3.465 9.072 334 HA ALA 57 HA ALA 57 -4.188 0.805 9.981 335 1HB ALA 57 1HB ALA 57 -5.545 1.788 11.849 336 2HB ALA 57 2HB ALA 57 -4.056 2.699 11.501 337 3HB ALA 57 3HB ALA 57 -5.628 3.313 10.934 338 H PHE 58 H PHE 58 -6.848 3.003 8.841 339 HA PHE 58 HA PHE 58 -8.916 1.222 9.122 340 2HB PHE 58 2HB PHE 58 -9.280 2.735 6.704 341 HD1 PHE 58 HD1 PHE 58 -11.130 1.547 8.560 342 HD2 PHE 58 HD2 PHE 58 -9.414 5.427 8.634 343 HE1 PHE 58 HE1 PHE 58 -13.098 2.393 9.868 344 HE2 PHE 58 HE2 PHE 58 -11.382 6.274 9.942 345 HZ PHE 58 HZ PHE 58 -13.201 4.747 10.543 346 H LYS 59 H LYS 59 -6.515 1.560 6.465 347 HA LYS 59 HA LYS 59 -7.706 0.050 4.534 348 2HB LYS 59 2HB LYS 59 -4.957 0.819 5.266 349 2HG LYS 59 2HG LYS 59 -4.723 -1.678 4.947 350 2HD LYS 59 2HD LYS 59 -6.687 -1.796 3.282 351 2HE LYS 59 2HE LYS 59 -4.583 -1.151 1.195 352 1HZ LYS 59 1HZ LYS 59 -6.634 -2.269 0.520 353 2HZ LYS 59 2HZ LYS 59 -7.555 -1.112 1.202 354 H HIS 60 H HIS 60 -5.621 -1.126 7.263 355 HA HIS 60 HA HIS 60 -5.660 -3.775 6.675 356 2HB HIS 60 2HB HIS 60 -4.772 -2.205 8.744 357 HD1 HIS 60 HD1 HIS 60 -6.844 -5.297 9.698 358 HD2 HIS 60 HD2 HIS 60 -6.013 -1.410 11.038 359 HE1 HIS 60 HE1 HIS 60 -8.062 -5.033 11.924 360 H THR 61 H THR 61 -8.071 -1.978 8.717 361 HA THR 61 HA THR 61 -9.762 -4.217 9.029 362 HB THR 61 HB THR 61 -9.856 -1.233 9.505 363 HG1 THR 61 HG1 THR 61 -10.799 -3.199 11.317 364 1HG2 THR 61 1HG2 THR 61 -12.227 -3.123 9.929 365 2HG2 THR 61 2HG2 THR 61 -12.151 -1.397 10.354 366 3HG2 THR 61 3HG2 THR 61 -12.169 -1.892 8.644 367 H ALA 62 H ALA 62 -9.485 -1.677 6.539 368 HA ALA 62 HA ALA 62 -11.974 -2.151 5.342 369 1HB ALA 62 1HB ALA 62 -9.687 -0.498 4.971 370 2HB ALA 62 2HB ALA 62 -9.967 -1.347 3.431 371 3HB ALA 62 3HB ALA 62 -11.268 -0.377 4.162 372 H ARG 63 H ARG 63 -8.647 -3.407 4.596 373 HA ARG 63 HA ARG 63 -9.733 -5.167 2.655 374 2HB ARG 63 2HB ARG 63 -6.935 -5.117 3.894 375 2HG ARG 63 2HG ARG 63 -7.128 -5.869 1.083 376 2HD ARG 63 2HD ARG 63 -5.155 -6.444 2.341 377 HE ARG 63 HE ARG 63 -6.998 -7.044 4.483 378 1HH1 ARG 63 1HH1 ARG 63 -3.837 -7.996 3.194 379 2HH1 ARG 63 2HH1 ARG 63 -3.237 -8.536 4.726 380 2HH2 ARG 63 2HH2 ARG 63 -4.646 -8.387 6.658 381 H HIS 64 H HIS 64 -10.223 -5.226 5.823 382 HA HIS 64 HA HIS 64 -9.258 -7.842 6.480 383 2HB HIS 64 2HB HIS 64 -11.221 -6.094 7.986 384 HD1 HIS 64 HD1 HIS 64 -9.753 -6.497 10.685 385 HD2 HIS 64 HD2 HIS 64 -10.709 -9.606 8.036 386 HE1 HIS 64 HE1 HIS 64 -9.821 -8.631 12.082 387 H ASN 65 H ASN 65 -12.466 -6.283 5.822 388 HA ASN 65 HA ASN 65 -13.484 -8.984 5.419 389 2HB ASN 65 2HB ASN 65 -15.626 -7.054 5.563 390 1HD2 ASN 65 1HD2 ASN 65 -16.103 -9.433 5.245 391 2HD2 ASN 65 2HD2 ASN 65 -16.436 -10.375 6.659 392 H VAL 66 H VAL 66 -14.082 -5.517 4.428 393 HA VAL 66 HA VAL 66 -14.852 -6.464 1.781 394 HB VAL 66 HB VAL 66 -14.931 -3.601 2.624 395 1HG1 VAL 66 1HG1 VAL 66 -15.947 -5.186 0.487 396 2HG1 VAL 66 2HG1 VAL 66 -17.339 -4.595 1.426 397 3HG1 VAL 66 3HG1 VAL 66 -16.154 -3.440 0.767 398 1HG2 VAL 66 1HG2 VAL 66 -16.354 -5.804 3.987 399 2HG2 VAL 66 2HG2 VAL 66 -16.014 -4.142 4.529 400 3HG2 VAL 66 3HG2 VAL 66 -17.390 -4.461 3.446 401 H ASP 67 H ASP 67 -14.143 -3.916 0.482 402 HA ASP 67 HA ASP 67 -11.244 -4.070 0.651 403 2HB ASP 67 2HB ASP 67 -11.565 -5.321 -1.309 404 HD2 ASP 67 HD2 ASP 67 -12.973 -6.082 -2.948 405 H GLU 68 H GLU 68 -10.221 -2.006 0.319 406 HA GLU 68 HA GLU 68 -11.911 0.151 -0.589 407 2HB GLU 68 2HB GLU 68 -10.564 1.320 1.572 408 2HG GLU 68 2HG GLU 68 -13.391 0.383 1.052 409 HE2 GLU 68 HE2 GLU 68 -14.694 0.946 4.067 410 H LEU 69 H LEU 69 -10.744 1.809 -1.644 411 HA LEU 69 HA LEU 69 -7.831 1.578 -1.551 412 2HB LEU 69 2HB LEU 69 -7.935 0.509 -3.504 413 HG LEU 69 HG LEU 69 -10.452 0.286 -3.478 414 1HD1 LEU 69 1HD1 LEU 69 -11.043 2.647 -3.488 415 2HD1 LEU 69 2HD1 LEU 69 -10.316 2.842 -5.101 416 3HD1 LEU 69 3HD1 LEU 69 -11.754 1.816 -4.891 417 1HD2 LEU 69 1HD2 LEU 69 -10.566 -0.419 -5.715 418 2HD2 LEU 69 2HD2 LEU 69 -9.396 0.809 -6.256 419 3HD2 LEU 69 3HD2 LEU 69 -8.848 -0.570 -5.271 420 H HIS 70 H HIS 70 -6.825 3.529 -1.350 421 HA HIS 70 HA HIS 70 -8.267 5.887 -2.216 422 2HB HIS 70 2HB HIS 70 -8.789 6.669 -0.205 423 HD1 HIS 70 HD1 HIS 70 -10.513 5.340 1.015 424 HD2 HIS 70 HD2 HIS 70 -6.725 3.546 1.193 425 HE1 HIS 70 HE1 HIS 70 -10.765 3.285 2.506 426 H ILE 71 H ILE 71 -6.889 7.560 -2.875 427 HA ILE 71 HA ILE 71 -4.038 7.134 -2.386 428 HB ILE 71 HB ILE 71 -4.141 6.173 -4.464 429 2HG1 ILE 71 2HG1 ILE 71 -2.808 7.500 -5.743 430 1HG2 ILE 71 1HG2 ILE 71 -6.543 6.589 -4.841 431 2HG2 ILE 71 2HG2 ILE 71 -6.159 8.245 -5.369 432 3HG2 ILE 71 3HG2 ILE 71 -5.564 6.852 -6.304 433 1HD1 ILE 71 1HD1 ILE 71 -3.209 9.962 -6.079 434 2HD1 ILE 71 2HD1 ILE 71 -4.562 8.954 -6.647 435 3HD1 ILE 71 3HD1 ILE 71 -4.686 9.819 -5.096 436 H ASP 72 H ASP 72 -2.990 8.980 -1.797 437 HA ASP 72 HA ASP 72 -4.217 11.483 -2.553 438 2HB ASP 72 2HB ASP 72 -3.382 11.972 0.069 439 HD2 ASP 72 HD2 ASP 72 -5.752 12.007 1.550 440 H GLY 73 H GLY 73 -2.611 13.148 -2.811 441 1HA GLY 73 1HA GLY 73 0.143 12.449 -2.012 442 2HA GLY 73 2HA GLY 73 -0.222 12.931 -3.656 443 H ASN 74 H ASN 74 1.175 14.124 -1.004 444 HA ASN 74 HA ASN 74 0.287 16.798 -1.644 445 2HB ASN 74 2HB ASN 74 -0.228 17.417 0.577 446 1HD2 ASN 74 1HD2 ASN 74 -0.566 15.027 2.496 447 2HD2 ASN 74 2HD2 ASN 74 -2.041 14.271 1.992 448 H TYR 75 H TYR 75 2.043 18.315 -1.474 449 HA TYR 75 HA TYR 75 4.643 17.194 -1.430 450 2HB TYR 75 2HB TYR 75 3.550 19.305 -2.618 451 HD1 TYR 75 HD1 TYR 75 2.140 19.528 0.070 452 HD2 TYR 75 HD2 TYR 75 5.334 21.785 -1.663 453 HE1 TYR 75 HE1 TYR 75 1.485 21.544 1.472 454 HE2 TYR 75 HE2 TYR 75 4.669 23.794 -0.254 455 HH TYR 75 HH TYR 75 1.764 23.710 1.747 456 H GLN 76 H GLN 76 2.521 17.843 1.099 457 HA GLN 76 HA GLN 76 4.727 18.588 2.852 458 2HB GLN 76 2HB GLN 76 1.876 18.693 3.796 459 2HG GLN 76 2HG GLN 76 3.776 19.357 5.273 460 1HE2 GLN 76 1HE2 GLN 76 5.699 20.240 5.523 461 2HE2 GLN 76 2HE2 GLN 76 6.519 21.270 4.397 462 H LEU 77 H LEU 77 2.822 15.977 1.785 463 HA LEU 77 HA LEU 77 2.129 14.551 3.977 464 2HB LEU 77 2HB LEU 77 3.403 13.513 1.442 465 HG LEU 77 HG LEU 77 1.775 12.154 3.574 466 1HD1 LEU 77 1HD1 LEU 77 1.884 10.646 1.084 467 2HD1 LEU 77 2HD1 LEU 77 0.515 10.962 2.177 468 3HD1 LEU 77 3HD1 LEU 77 0.946 12.151 0.925 469 1HD2 LEU 77 1HD2 LEU 77 3.424 10.285 2.509 470 2HD2 LEU 77 2HD2 LEU 77 4.376 11.762 2.225 471 3HD2 LEU 77 3HD2 LEU 77 3.853 11.344 3.874 472 H GLY 78 H GLY 78 5.377 14.399 2.347 473 1HA GLY 78 1HA GLY 78 7.086 14.705 4.328 474 2HA GLY 78 2HA GLY 78 6.469 13.117 4.738 475 H ARG 79 H ARG 79 6.740 14.331 1.375 476 HA ARG 79 HA ARG 79 7.743 13.491 -0.355 477 2HB ARG 79 2HB ARG 79 10.318 13.037 0.040 478 2HG ARG 79 2HG ARG 79 9.035 15.263 -0.652 479 2HD ARG 79 2HD ARG 79 9.906 15.752 2.226 480 HE ARG 79 HE ARG 79 9.141 18.132 0.784 481 1HH1 ARG 79 1HH1 ARG 79 11.913 15.989 1.309 482 2HH1 ARG 79 2HH1 ARG 79 13.086 17.220 0.981 483 2HH2 ARG 79 2HH2 ARG 79 12.344 19.429 0.419 484 H ASN 80 H ASN 80 6.198 11.512 0.654 485 HA ASN 80 HA ASN 80 7.962 9.190 0.679 486 2HB ASN 80 2HB ASN 80 6.213 8.018 1.981 487 1HD2 ASN 80 1HD2 ASN 80 4.912 9.745 3.980 488 2HD2 ASN 80 2HD2 ASN 80 6.167 10.372 4.996 489 H VAL 81 H VAL 81 7.762 7.975 -1.209 490 HA VAL 81 HA VAL 81 5.184 8.128 -2.614 491 HB VAL 81 HB VAL 81 6.470 7.854 -4.694 492 1HG1 VAL 81 1HG1 VAL 81 6.033 10.152 -3.259 493 2HG1 VAL 81 2HG1 VAL 81 7.777 10.258 -3.597 494 3HG1 VAL 81 3HG1 VAL 81 6.619 10.088 -4.939 495 1HG2 VAL 81 1HG2 VAL 81 8.860 8.082 -2.843 496 2HG2 VAL 81 2HG2 VAL 81 8.463 6.760 -3.967 497 3HG2 VAL 81 3HG2 VAL 81 8.949 8.350 -4.601 498 H LEU 82 H LEU 82 4.124 6.235 -2.334 499 HA LEU 82 HA LEU 82 5.753 3.797 -2.492 500 2HB LEU 82 2HB LEU 82 4.304 2.764 -0.849 501 HG LEU 82 HG LEU 82 5.189 5.420 0.302 502 1HD1 LEU 82 1HD1 LEU 82 5.582 3.213 2.061 503 2HD1 LEU 82 2HD1 LEU 82 4.499 4.614 2.246 504 3HD1 LEU 82 3HD1 LEU 82 3.917 3.139 1.438 505 1HD2 LEU 82 1HD2 LEU 82 6.779 3.276 -0.850 506 2HD2 LEU 82 2HD2 LEU 82 7.269 4.891 -0.285 507 3HD2 LEU 82 3HD2 LEU 82 7.162 3.540 0.868 508 H LEU 83 H LEU 83 5.238 2.590 -4.230 509 HA LEU 83 HA LEU 83 2.517 2.918 -5.290 510 2HB LEU 83 2HB LEU 83 5.166 2.579 -6.674 511 HG LEU 83 HG LEU 83 3.896 2.616 -8.821 512 1HD1 LEU 83 1HD1 LEU 83 3.059 0.044 -7.639 513 2HD1 LEU 83 2HD1 LEU 83 4.121 0.389 -9.025 514 3HD1 LEU 83 3HD1 LEU 83 4.761 0.488 -7.367 515 1HD2 LEU 83 1HD2 LEU 83 1.486 1.351 -7.927 516 2HD2 LEU 83 2HD2 LEU 83 1.663 2.918 -7.103 517 3HD2 LEU 83 3HD2 LEU 83 1.692 2.839 -8.881 518 H LYS 84 H LYS 84 1.277 1.187 -4.834 519 HA LYS 84 HA LYS 84 2.596 -1.433 -4.955 520 2HB LYS 84 2HB LYS 84 0.294 -1.214 -3.128 521 2HG LYS 84 2HG LYS 84 2.733 -2.148 -1.927 522 2HD LYS 84 2HD LYS 84 1.072 -4.296 -2.950 523 2HE LYS 84 2HE LYS 84 2.288 -4.316 -0.776 524 1HZ LYS 84 1HZ LYS 84 0.614 -2.889 0.860 525 2HZ LYS 84 2HZ LYS 84 2.120 -2.440 0.435 526 H ASN 85 H ASN 85 1.787 -2.672 -6.553 527 HA ASN 85 HA ASN 85 -0.920 -2.016 -7.415 528 2HB ASN 85 2HB ASN 85 -0.234 -2.982 -9.636 529 1HD2 ASN 85 1HD2 ASN 85 2.524 -2.016 -10.287 530 2HD2 ASN 85 2HD2 ASN 85 2.434 -0.287 -10.308 531 H GLY 86 H GLY 86 -2.409 -3.640 -6.946 532 1HA GLY 86 1HA GLY 86 -1.357 -6.374 -6.533 533 2HA GLY 86 2HA GLY 86 -2.709 -5.675 -5.664 534 H GLU 87 H GLU 87 -1.929 -7.796 -8.111 535 HA GLU 87 HA GLU 87 -4.477 -7.273 -9.435 536 2HB GLU 87 2HB GLU 87 -3.571 -7.965 -11.529 537 2HG GLU 87 2HG GLU 87 -1.557 -6.308 -9.957 538 HE2 GLU 87 HE2 GLU 87 0.774 -6.680 -12.406 539 H ASP 88 H ASP 88 -5.974 -8.849 -9.069 540 HA ASP 88 HA ASP 88 -4.909 -11.474 -8.376 541 2HB ASP 88 2HB ASP 88 -7.711 -10.977 -7.620 542 HD2 ASP 88 HD2 ASP 88 -6.807 -11.174 -4.497 543 H ARG 89 H ARG 89 -5.390 -13.017 -9.946 544 HA ARG 89 HA ARG 89 -7.728 -12.465 -11.593 545 2HB ARG 89 2HB ARG 89 -6.142 -14.292 -13.025 546 2HG ARG 89 2HG ARG 89 -5.377 -12.029 -14.205 547 2HD ARG 89 2HD ARG 89 -7.760 -11.790 -15.135 548 HE ARG 89 HE ARG 89 -6.045 -13.596 -15.907 549 1HH1 ARG 89 1HH1 ARG 89 -9.244 -14.359 -14.586 550 2HH1 ARG 89 2HH1 ARG 89 -9.373 -15.862 -15.436 551 2HH2 ARG 89 2HH2 ARG 89 -7.582 -16.561 -16.867 552 H LEU 90 H LEU 90 -9.385 -13.901 -11.214 553 HA LEU 90 HA LEU 90 -8.753 -16.700 -10.916 554 2HB LEU 90 2HB LEU 90 -10.097 -16.897 -8.835 555 HG LEU 90 HG LEU 90 -7.583 -15.224 -8.649 556 1HD1 LEU 90 1HD1 LEU 90 -9.474 -15.403 -6.652 557 2HD1 LEU 90 2HD1 LEU 90 -8.339 -16.712 -6.246 558 3HD1 LEU 90 3HD1 LEU 90 -7.745 -15.045 -6.430 559 1HD2 LEU 90 1HD2 LEU 90 -6.806 -17.227 -9.388 560 2HD2 LEU 90 2HD2 LEU 90 -6.883 -17.596 -7.648 561 3HD2 LEU 90 3HD2 LEU 90 -8.187 -18.139 -8.731 562 H ARG 91 H ARG 91 -10.765 -18.047 -11.041 563 HA ARG 91 HA ARG 91 -12.325 -17.153 -13.117 564 2HB ARG 91 2HB ARG 91 -13.876 -19.144 -12.207 565 2HG ARG 91 2HG ARG 91 -11.468 -20.538 -12.805 566 2HD ARG 91 2HD ARG 91 -13.789 -20.902 -13.763 567 HE ARG 91 HE ARG 91 -13.228 -18.287 -15.022 568 1HH1 ARG 91 1HH1 ARG 91 -15.236 -21.206 -15.035 569 2HH1 ARG 91 2HH1 ARG 91 -16.522 -20.467 -15.929 570 2HH2 ARG 91 2HH2 ARG 91 -16.318 -18.176 -16.604 571 H PHE 92 H PHE 92 -12.697 -16.918 -9.581 572 HA PHE 92 HA PHE 92 -15.407 -16.446 -9.402 573 2HB PHE 92 2HB PHE 92 -13.449 -14.803 -7.782 574 HD1 PHE 92 HD1 PHE 92 -15.435 -17.933 -7.298 575 HD2 PHE 92 HD2 PHE 92 -14.805 -13.895 -6.157 576 HE1 PHE 92 HE1 PHE 92 -17.202 -18.157 -5.530 577 HE2 PHE 92 HE2 PHE 92 -16.572 -14.119 -4.389 578 HZ PHE 92 HZ PHE 92 -17.749 -16.248 -4.096 579 H TYR 93 H TYR 93 -12.733 -14.302 -10.422 580 HA TYR 93 HA TYR 93 -14.654 -12.095 -10.638 581 2HB TYR 93 2HB TYR 93 -12.251 -10.973 -11.106 582 HD1 TYR 93 HD1 TYR 93 -14.640 -10.577 -9.334 583 HD2 TYR 93 HD2 TYR 93 -10.651 -11.823 -8.419 584 HE1 TYR 93 HE1 TYR 93 -14.890 -9.670 -6.972 585 HE2 TYR 93 HE2 TYR 93 -10.915 -10.911 -6.061 586 HH TYR 93 HH TYR 93 -13.993 -9.884 -4.860 587 H VAL 94 H VAL 94 -15.363 -11.435 -12.612 588 HA VAL 94 HA VAL 94 -13.934 -12.535 -14.932 589 HB VAL 94 HB VAL 94 -16.096 -12.356 -16.096 590 1HG1 VAL 94 1HG1 VAL 94 -16.750 -14.425 -15.424 591 2HG1 VAL 94 2HG1 VAL 94 -15.245 -14.345 -14.477 592 3HG1 VAL 94 3HG1 VAL 94 -16.804 -13.972 -13.704 593 1HG2 VAL 94 1HG2 VAL 94 -16.842 -10.601 -14.167 594 2HG2 VAL 94 2HG2 VAL 94 -17.987 -11.473 -15.217 595 3HG2 VAL 94 3HG2 VAL 94 -17.640 -12.080 -13.579 596 H LYS 95 H LYS 95 -15.249 -9.678 -13.288 597 HA LYS 95 HA LYS 95 -14.929 -7.957 -15.533 598 2HB LYS 95 2HB LYS 95 -14.980 -6.840 -12.781 599 2HG LYS 95 2HG LYS 95 -16.005 -6.266 -15.512 600 2HD LYS 95 2HD LYS 95 -17.639 -5.269 -13.154 601 2HE LYS 95 2HE LYS 95 -18.678 -5.664 -15.950 602 1HZ LYS 95 1HZ LYS 95 -19.991 -4.695 -14.078 603 2HZ LYS 95 2HZ LYS 95 -18.968 -3.430 -14.016 604 H PHE 96 H PHE 96 -12.880 -9.194 -12.926 605 HA PHE 96 HA PHE 96 -10.736 -8.945 -12.481 606 2HB PHE 96 2HB PHE 96 -9.270 -8.427 -14.443 607 HD1 PHE 96 HD1 PHE 96 -10.222 -10.947 -13.504 608 HD2 PHE 96 HD2 PHE 96 -11.200 -8.944 -17.115 609 HE1 PHE 96 HE1 PHE 96 -10.771 -13.150 -14.576 610 HE2 PHE 96 HE2 PHE 96 -11.750 -11.147 -18.188 611 HZ PHE 96 HZ PHE 96 -11.528 -13.223 -16.906 612 H GLY 97 H GLY 97 -12.146 -7.008 -11.267 613 1HA GLY 97 1HA GLY 97 -11.915 -4.383 -11.796 614 2HA GLY 97 2HA GLY 97 -11.743 -5.058 -10.189 615 HA PRO 98 HA PRO 98 -7.491 -4.154 -10.204 616 2HB PRO 98 2HB PRO 98 -7.088 -5.186 -8.185 617 2HG PRO 98 2HG PRO 98 -8.524 -6.920 -7.686 618 2HD PRO 98 2HD PRO 98 -10.339 -6.328 -8.967 619 H GLY 99 H GLY 99 -5.585 -4.001 -11.368 620 1HA GLY 99 1HA GLY 99 -4.625 -6.113 -12.944 621 2HA GLY 99 2HA GLY 99 -5.695 -5.138 -13.932 622 H ALA 100 H ALA 100 -5.326 -2.560 -13.357 623 HA ALA 100 HA ALA 100 -2.414 -2.163 -13.465 624 1HB ALA 100 1HB ALA 100 -3.172 -1.833 -15.687 625 2HB ALA 100 2HB ALA 100 -4.648 -0.996 -15.151 626 3HB ALA 100 3HB ALA 100 -3.066 -0.195 -15.002 627 H VAL 101 H VAL 101 -1.760 0.099 -12.798 628 HA VAL 101 HA VAL 101 -2.904 0.682 -10.300 629 HB VAL 101 HB VAL 101 -1.227 2.251 -10.103 630 1HG1 VAL 101 1HG1 VAL 101 0.147 0.746 -12.293 631 2HG1 VAL 101 2HG1 VAL 101 0.682 1.096 -10.631 632 3HG1 VAL 101 3HG1 VAL 101 -0.524 -0.180 -10.929 633 1HG2 VAL 101 1HG2 VAL 101 -1.169 2.565 -13.124 634 2HG2 VAL 101 2HG2 VAL 101 -1.924 3.693 -11.972 635 3HG2 VAL 101 3HG2 VAL 101 -0.161 3.451 -11.955 636 H ILE 102 H ILE 102 -3.380 1.953 -13.609 637 HA ILE 102 HA ILE 102 -4.688 4.297 -13.004 638 HB ILE 102 HB ILE 102 -4.058 2.833 -15.258 639 2HG1 ILE 102 2HG1 ILE 102 -4.082 5.345 -14.780 640 1HG2 ILE 102 1HG2 ILE 102 -7.068 3.089 -15.049 641 2HG2 ILE 102 2HG2 ILE 102 -6.182 2.812 -16.568 642 3HG2 ILE 102 3HG2 ILE 102 -6.115 1.602 -15.264 643 1HD1 ILE 102 1HD1 ILE 102 -4.438 5.894 -17.212 644 2HD1 ILE 102 2HD1 ILE 102 -3.386 4.480 -16.963 645 3HD1 ILE 102 3HD1 ILE 102 -5.083 4.252 -17.449 646 H LYS 103 H LYS 103 -5.816 0.911 -12.882 647 HA LYS 103 HA LYS 103 -8.541 1.409 -12.744 648 2HB LYS 103 2HB LYS 103 -7.875 -0.821 -11.088 649 2HG LYS 103 2HG LYS 103 -9.798 -0.787 -12.589 650 2HD LYS 103 2HD LYS 103 -7.826 0.246 -14.482 651 2HE LYS 103 2HE LYS 103 -9.457 -1.215 -16.257 652 1HZ LYS 103 1HZ LYS 103 -7.271 -2.340 -16.712 653 2HZ LYS 103 2HZ LYS 103 -7.177 -0.714 -16.715 654 H GLU 104 H GLU 104 -5.964 1.532 -10.247 655 HA GLU 104 HA GLU 104 -7.706 1.774 -8.094 656 2HB GLU 104 2HB GLU 104 -4.794 2.293 -8.600 657 2HG GLU 104 2HG GLU 104 -5.405 4.271 -7.267 658 HE2 GLU 104 HE2 GLU 104 -6.716 4.633 -4.548 659 H PHE 105 H PHE 105 -5.967 4.241 -10.104 660 HA PHE 105 HA PHE 105 -6.620 6.509 -8.809 661 2HB PHE 105 2HB PHE 105 -7.028 7.150 -11.493 662 HD1 PHE 105 HD1 PHE 105 -5.745 9.070 -11.102 663 HD2 PHE 105 HD2 PHE 105 -3.998 5.251 -10.492 664 HE1 PHE 105 HE1 PHE 105 -3.497 10.145 -10.806 665 HE2 PHE 105 HE2 PHE 105 -1.749 6.326 -10.197 666 HZ PHE 105 HZ PHE 105 -1.525 8.761 -10.358 667 H LYS 106 H LYS 106 -8.777 4.450 -10.788 668 HA LYS 106 HA LYS 106 -10.838 6.020 -11.394 669 2HB LYS 106 2HB LYS 106 -10.928 3.250 -10.169 670 2HG LYS 106 2HG LYS 106 -13.085 3.454 -11.867 671 2HD LYS 106 2HD LYS 106 -14.436 3.845 -9.689 672 2HE LYS 106 2HE LYS 106 -12.601 1.623 -10.391 673 1HZ LYS 106 1HZ LYS 106 -13.114 2.269 -7.619 674 2HZ LYS 106 2HZ LYS 106 -13.518 0.743 -8.015 675 H ILE 107 H ILE 107 -9.795 5.108 -8.117 676 HA ILE 107 HA ILE 107 -11.897 5.544 -6.557 677 HB ILE 107 HB ILE 107 -9.410 5.192 -6.012 678 2HG1 ILE 107 2HG1 ILE 107 -9.780 5.750 -3.721 679 1HG2 ILE 107 1HG2 ILE 107 -8.368 7.326 -5.090 680 2HG2 ILE 107 2HG2 ILE 107 -8.379 7.130 -6.858 681 3HG2 ILE 107 3HG2 ILE 107 -9.560 8.206 -6.076 682 1HD1 ILE 107 1HD1 ILE 107 -11.302 7.372 -2.930 683 2HD1 ILE 107 2HD1 ILE 107 -10.593 8.164 -4.357 684 3HD1 ILE 107 3HD1 ILE 107 -12.202 7.412 -4.465 685 H THR 108 H THR 108 -10.104 8.078 -8.372 686 HA THR 108 HA THR 108 -12.419 9.820 -7.999 687 HB THR 108 HB THR 108 -10.742 10.363 -6.194 688 HG1 THR 108 HG1 THR 108 -10.921 12.177 -8.498 689 1HG2 THR 108 1HG2 THR 108 -8.974 11.143 -8.571 690 2HG2 THR 108 2HG2 THR 108 -8.609 11.418 -6.851 691 3HG2 THR 108 3HG2 THR 108 -8.654 9.760 -7.497 692 H ASP 109 H ASP 109 -9.215 9.299 -9.591 693 HA ASP 109 HA ASP 109 -9.314 11.050 -11.557 694 2HB ASP 109 2HB ASP 109 -8.776 8.144 -12.249 695 HD2 ASP 109 HD2 ASP 109 -7.397 11.306 -12.161 Start of MODEL 8 1 1H MET 1 1H MET 1 6.134 16.460 -6.317 2 HA MET 1 HA MET 1 5.559 14.522 -7.142 3 2HB MET 1 2HB MET 1 7.597 14.694 -8.415 4 2HG MET 1 2HG MET 1 9.003 13.885 -5.828 5 1HE MET 1 1HE MET 1 10.135 12.137 -6.014 6 2HE MET 1 2HE MET 1 10.031 11.346 -7.606 7 3HE MET 1 3HE MET 1 11.611 11.866 -6.972 8 H SER 2 H SER 2 4.444 13.959 -5.063 9 HA SER 2 HA SER 2 5.677 11.562 -3.978 10 2HB SER 2 2HB SER 2 6.092 13.005 -2.179 11 HG SER 2 HG SER 2 4.872 14.770 -1.646 12 H GLU 3 H GLU 3 4.294 9.842 -4.213 13 HA GLU 3 HA GLU 3 1.469 10.352 -3.926 14 2HB GLU 3 2HB GLU 3 1.923 10.591 -6.364 15 2HG GLU 3 2HG GLU 3 2.815 7.675 -6.165 16 HE2 GLU 3 HE2 GLU 3 4.072 9.448 -8.876 17 H VAL 4 H VAL 4 0.541 8.757 -2.695 18 HA VAL 4 HA VAL 4 2.066 6.255 -2.463 19 HB VAL 4 HB VAL 4 0.963 8.123 -0.500 20 1HG1 VAL 4 1HG1 VAL 4 0.488 6.102 1.088 21 2HG1 VAL 4 2HG1 VAL 4 -0.780 6.661 -0.028 22 3HG1 VAL 4 3HG1 VAL 4 0.182 5.217 -0.424 23 1HG2 VAL 4 1HG2 VAL 4 3.356 7.425 -0.714 24 2HG2 VAL 4 2HG2 VAL 4 2.676 7.183 0.912 25 3HG2 VAL 4 3HG2 VAL 4 2.882 5.794 -0.181 26 H ASN 5 H ASN 5 1.073 4.568 -3.428 27 HA ASN 5 HA ASN 5 -1.832 4.545 -3.286 28 2HB ASN 5 2HB ASN 5 -1.607 5.061 -5.570 29 1HD2 ASN 5 1HD2 ASN 5 -0.498 4.930 -7.607 30 2HD2 ASN 5 2HD2 ASN 5 1.222 4.739 -7.667 31 H ILE 6 H ILE 6 -2.518 2.592 -2.380 32 HA ILE 6 HA ILE 6 -0.884 0.225 -2.843 33 HB ILE 6 HB ILE 6 -0.208 1.397 -0.696 34 2HG1 ILE 6 2HG1 ILE 6 0.384 -0.612 0.244 35 1HG2 ILE 6 1HG2 ILE 6 -2.167 2.158 0.288 36 2HG2 ILE 6 2HG2 ILE 6 -3.036 0.633 -0.011 37 3HG2 ILE 6 3HG2 ILE 6 -1.777 0.708 1.245 38 1HD1 ILE 6 1HD1 ILE 6 -1.058 -2.651 0.194 39 2HD1 ILE 6 2HD1 ILE 6 -1.859 -1.291 1.017 40 3HD1 ILE 6 3HD1 ILE 6 -2.319 -1.719 -0.649 41 H VAL 7 H VAL 7 -2.087 -1.667 -3.019 42 HA VAL 7 HA VAL 7 -4.911 -1.500 -2.320 43 HB VAL 7 HB VAL 7 -4.738 -0.743 -4.639 44 1HG1 VAL 7 1HG1 VAL 7 -4.133 -2.922 -6.189 45 2HG1 VAL 7 2HG1 VAL 7 -3.014 -1.588 -5.819 46 3HG1 VAL 7 3HG1 VAL 7 -2.961 -3.086 -4.858 47 1HG2 VAL 7 1HG2 VAL 7 -5.880 -3.532 -4.741 48 2HG2 VAL 7 2HG2 VAL 7 -6.615 -2.280 -3.712 49 3HG2 VAL 7 3HG2 VAL 7 -6.500 -2.031 -5.471 50 H VAL 8 H VAL 8 -5.776 -3.479 -1.666 51 HA VAL 8 HA VAL 8 -3.978 -5.782 -1.913 52 HB VAL 8 HB VAL 8 -4.852 -6.346 0.449 53 1HG1 VAL 8 1HG1 VAL 8 -2.494 -5.637 -0.312 54 2HG1 VAL 8 2HG1 VAL 8 -2.905 -4.039 0.354 55 3HG1 VAL 8 3HG1 VAL 8 -2.898 -5.469 1.412 56 1HG2 VAL 8 1HG2 VAL 8 -5.498 -3.404 0.249 57 2HG2 VAL 8 2HG2 VAL 8 -6.498 -4.735 0.877 58 3HG2 VAL 8 3HG2 VAL 8 -5.096 -4.159 1.809 59 H ASN 9 H ASN 9 -5.001 -7.398 -2.967 60 HA ASN 9 HA ASN 9 -7.904 -7.451 -2.693 61 2HB ASN 9 2HB ASN 9 -7.911 -8.536 -4.976 62 1HD2 ASN 9 1HD2 ASN 9 -7.819 -7.293 -6.959 63 2HD2 ASN 9 2HD2 ASN 9 -7.786 -5.561 -6.901 64 H GLY 10 H GLY 10 -8.401 -9.185 -1.335 65 1HA GLY 10 1HA GLY 10 -8.411 -11.247 -0.444 66 2HA GLY 10 2HA GLY 10 -7.800 -11.831 -1.978 67 H ARG 11 H ARG 11 -6.456 -9.734 0.682 68 HA ARG 11 HA ARG 11 -4.418 -9.653 1.479 69 2HB ARG 11 2HB ARG 11 -3.754 -11.858 2.656 70 2HG ARG 11 2HG ARG 11 -6.633 -11.558 3.297 71 2HD ARG 11 2HD ARG 11 -4.056 -10.920 4.816 72 HE ARG 11 HE ARG 11 -5.757 -9.905 6.125 73 1HH1 ARG 11 1HH1 ARG 11 -6.674 -13.213 5.243 74 2HH1 ARG 11 2HH1 ARG 11 -7.989 -13.279 6.368 75 2HH2 ARG 11 2HH2 ARG 11 -8.452 -11.376 7.748 76 H GLU 12 H GLU 12 -3.804 -9.452 -1.044 77 HA GLU 12 HA GLU 12 -2.184 -11.712 -1.839 78 2HB GLU 12 2HB GLU 12 -2.749 -9.155 -3.397 79 2HG GLU 12 2HG GLU 12 -2.529 -11.441 -5.062 80 HE2 GLU 12 HE2 GLU 12 -1.497 -10.764 -6.703 81 H ALA 13 H ALA 13 0.002 -11.749 -1.523 82 HA ALA 13 HA ALA 13 1.351 -9.161 -1.224 83 1HB ALA 13 1HB ALA 13 0.894 -10.150 1.014 84 2HB ALA 13 2HB ALA 13 1.767 -11.622 0.524 85 3HB ALA 13 3HB ALA 13 2.635 -10.073 0.654 86 H GLY 14 H GLY 14 3.752 -9.358 -1.602 87 1HA GLY 14 1HA GLY 14 4.973 -11.625 -2.648 88 2HA GLY 14 2HA GLY 14 4.238 -10.785 -3.998 89 H SER 15 H SER 15 5.681 -9.442 -0.954 90 HA SER 15 HA SER 15 7.962 -8.536 -2.405 91 2HB SER 15 2HB SER 15 5.766 -6.847 -2.460 92 HG SER 15 HG SER 15 7.511 -5.461 -0.719 93 H LYS 16 H LYS 16 9.175 -6.838 -0.703 94 HA LYS 16 HA LYS 16 9.470 -8.445 1.665 95 2HB LYS 16 2HB LYS 16 11.440 -7.169 2.062 96 2HG LYS 16 2HG LYS 16 11.928 -6.931 -0.758 97 2HD LYS 16 2HD LYS 16 13.203 -8.045 1.352 98 2HE LYS 16 2HE LYS 16 12.636 -10.582 -0.086 99 1HZ LYS 16 1HZ LYS 16 12.919 -11.426 2.101 100 2HZ LYS 16 2HZ LYS 16 14.010 -10.222 1.997 101 H SER 17 H SER 17 7.064 -6.493 0.876 102 HA SER 17 HA SER 17 7.168 -4.729 3.129 103 2HB SER 17 2HB SER 17 6.084 -4.374 0.724 104 HG SER 17 HG SER 17 4.491 -5.977 0.749 105 H LYS 18 H LYS 18 6.963 -7.881 3.174 106 HA LYS 18 HA LYS 18 4.436 -8.177 4.574 107 2HB LYS 18 2HB LYS 18 5.842 -10.598 4.652 108 2HG LYS 18 2HG LYS 18 4.237 -11.150 2.720 109 2HD LYS 18 2HD LYS 18 3.733 -10.940 5.377 110 2HE LYS 18 2HE LYS 18 2.503 -8.568 4.143 111 1HZ LYS 18 1HZ LYS 18 0.345 -8.852 5.055 112 2HZ LYS 18 2HZ LYS 18 0.600 -10.222 4.213 113 H GLY 19 H GLY 19 7.815 -7.555 5.170 114 1HA GLY 19 1HA GLY 19 7.745 -8.578 7.890 115 2HA GLY 19 2HA GLY 19 9.085 -7.805 7.067 116 H CYS 20 H CYS 20 9.649 -6.063 8.324 117 HA CYS 20 HA CYS 20 7.480 -4.431 9.381 118 2HB CYS 20 2HB CYS 20 9.034 -3.553 10.950 119 HG CYS 20 HG CYS 20 8.320 -6.477 10.561 120 H ALA 21 H ALA 21 8.038 -1.943 9.333 121 HA ALA 21 HA ALA 21 8.318 -1.213 6.620 122 1HB ALA 21 1HB ALA 21 8.456 1.139 7.858 123 2HB ALA 21 2HB ALA 21 6.935 0.217 7.805 124 3HB ALA 21 3HB ALA 21 7.954 0.169 9.263 125 H LEU 22 H LEU 22 10.464 -1.063 9.518 126 HA LEU 22 HA LEU 22 12.520 0.371 8.294 127 2HB LEU 22 2HB LEU 22 12.149 -1.278 10.717 128 HG LEU 22 HG LEU 22 14.741 -1.210 9.366 129 1HD1 LEU 22 1HD1 LEU 22 14.995 0.817 10.770 130 2HD1 LEU 22 2HD1 LEU 22 14.657 -0.172 12.211 131 3HD1 LEU 22 3HD1 LEU 22 16.102 -0.500 11.226 132 1HD2 LEU 22 1HD2 LEU 22 14.158 -2.519 12.007 133 2HD2 LEU 22 2HD2 LEU 22 13.416 -3.136 10.512 134 3HD2 LEU 22 3HD2 LEU 22 15.189 -3.071 10.664 135 H CYS 23 H CYS 23 12.234 -3.211 8.868 136 HA CYS 23 HA CYS 23 13.658 -3.573 6.354 137 2HB CYS 23 2HB CYS 23 14.879 -5.529 7.641 138 HG CYS 23 HG CYS 23 15.447 -2.277 7.706 139 H GLY 24 H GLY 24 13.619 -6.185 5.959 140 1HA GLY 24 1HA GLY 24 10.886 -7.073 6.672 141 2HA GLY 24 2HA GLY 24 11.629 -7.332 5.107 142 H ALA 25 H ALA 25 11.500 -8.350 8.494 143 HA ALA 25 HA ALA 25 13.392 -10.510 7.869 144 1HB ALA 25 1HB ALA 25 13.622 -10.675 10.353 145 2HB ALA 25 2HB ALA 25 14.116 -9.089 9.714 146 3HB ALA 25 3HB ALA 25 12.538 -9.273 10.517 147 H THR 26 H THR 26 10.178 -9.638 9.238 148 HA THR 26 HA THR 26 9.502 -12.463 9.468 149 HB THR 26 HB THR 26 7.316 -11.272 10.351 150 HG1 THR 26 HG1 THR 26 8.090 -9.026 11.048 151 1HG2 THR 26 1HG2 THR 26 8.904 -10.284 12.369 152 2HG2 THR 26 2HG2 THR 26 8.465 -12.003 12.227 153 3HG2 THR 26 3HG2 THR 26 10.031 -11.430 11.605 154 H TRP 27 H TRP 27 7.074 -12.914 8.745 155 HA TRP 27 HA TRP 27 6.269 -11.595 6.363 156 2HB TRP 27 2HB TRP 27 8.117 -12.744 5.358 157 HD1 TRP 27 HD1 TRP 27 7.265 -14.786 8.204 158 HE1 TRP 27 HE1 TRP 27 8.317 -17.206 8.199 159 HE3 TRP 27 HE3 TRP 27 8.497 -14.810 3.270 160 HZ2 TRP 27 HZ2 TRP 27 9.519 -18.822 6.177 161 HZ3 TRP 27 HZ3 TRP 27 9.607 -16.848 2.361 162 HH2 TRP 27 HH2 TRP 27 10.120 -18.808 3.728 163 H GLY 28 H GLY 28 4.292 -12.806 5.442 164 1HA GLY 28 1HA GLY 28 2.939 -14.886 6.198 165 2HA GLY 28 2HA GLY 28 2.837 -13.992 7.701 166 H ASP 29 H ASP 29 0.977 -14.736 5.186 167 HA ASP 29 HA ASP 29 0.112 -12.109 4.461 168 2HB ASP 29 2HB ASP 29 -0.975 -13.167 2.740 169 HD2 ASP 29 HD2 ASP 29 0.387 -16.625 2.206 170 H TYR 30 H TYR 30 -0.270 -14.129 7.129 171 HA TYR 30 HA TYR 30 -3.101 -13.780 7.525 172 2HB TYR 30 2HB TYR 30 -2.252 -14.756 9.839 173 HD1 TYR 30 HD1 TYR 30 -0.605 -16.072 6.732 174 HD2 TYR 30 HD2 TYR 30 -3.598 -16.650 9.734 175 HE1 TYR 30 HE1 TYR 30 -1.162 -18.350 5.748 176 HE2 TYR 30 HE2 TYR 30 -4.145 -18.925 8.741 177 HH TYR 30 HH TYR 30 -2.265 -20.204 6.022 178 H HIS 31 H HIS 31 -0.542 -11.654 7.647 179 HA HIS 31 HA HIS 31 -1.461 -10.365 10.091 180 2HB HIS 31 2HB HIS 31 0.551 -9.054 9.978 181 HD1 HIS 31 HD1 HIS 31 2.244 -10.071 11.500 182 HD2 HIS 31 HD2 HIS 31 0.875 -12.801 8.626 183 HE1 HIS 31 HE1 HIS 31 3.382 -12.293 12.027 184 H ALA 32 H ALA 32 -1.205 -7.735 9.732 185 HA ALA 32 HA ALA 32 -2.938 -7.182 7.421 186 1HB ALA 32 1HB ALA 32 -4.319 -6.662 9.181 187 2HB ALA 32 2HB ALA 32 -2.965 -6.332 10.288 188 3HB ALA 32 3HB ALA 32 -3.438 -5.119 9.075 189 H ASP 33 H ASP 33 -2.117 -5.850 5.880 190 HA ASP 33 HA ASP 33 0.447 -4.687 6.427 191 2HB ASP 33 2HB ASP 33 -1.275 -5.140 3.987 192 HD2 ASP 33 HD2 ASP 33 1.373 -4.067 2.140 193 H PHE 34 H PHE 34 0.829 -2.323 5.729 194 HA PHE 34 HA PHE 34 -1.600 -0.733 6.176 195 2HB PHE 34 2HB PHE 34 0.922 0.611 6.820 196 HD1 PHE 34 HD1 PHE 34 0.559 2.156 8.511 197 HD2 PHE 34 HD2 PHE 34 -1.919 -1.283 8.317 198 HE1 PHE 34 HE1 PHE 34 -0.874 3.085 10.350 199 HE2 PHE 34 HE2 PHE 34 -3.353 -0.355 10.156 200 HZ PHE 34 HZ PHE 34 -2.813 1.818 11.151 201 H LEU 35 H LEU 35 -1.149 1.680 5.434 202 HA LEU 35 HA LEU 35 -0.709 1.570 2.670 203 2HB LEU 35 2HB LEU 35 -0.567 4.203 3.218 204 HG LEU 35 HG LEU 35 -2.385 3.281 1.906 205 1HD1 LEU 35 1HD1 LEU 35 -2.778 1.285 3.356 206 2HD1 LEU 35 2HD1 LEU 35 -3.654 2.341 4.489 207 3HD1 LEU 35 3HD1 LEU 35 -4.262 2.115 2.831 208 1HD2 LEU 35 1HD2 LEU 35 -3.302 4.937 4.269 209 2HD2 LEU 35 2HD2 LEU 35 -2.721 5.518 2.689 210 3HD2 LEU 35 3HD2 LEU 35 -4.272 4.651 2.805 211 H GLY 36 H GLY 36 1.413 2.094 5.448 212 1HA GLY 36 1HA GLY 36 3.525 3.397 4.096 213 2HA GLY 36 2HA GLY 36 3.616 2.519 5.610 214 H GLU 37 H GLU 37 2.243 0.212 3.783 215 HA GLU 37 HA GLU 37 2.901 -1.515 2.635 216 2HB GLU 37 2HB GLU 37 5.573 -0.519 1.783 217 2HG GLU 37 2HG GLU 37 3.265 -1.053 -0.069 218 HE2 GLU 37 HE2 GLU 37 5.174 0.284 -0.749 219 H ASP 38 H ASP 38 3.241 -1.722 5.296 220 HA ASP 38 HA ASP 38 5.622 -3.327 5.438 221 2HB ASP 38 2HB ASP 38 6.312 -1.093 6.314 222 HD2 ASP 38 HD2 ASP 38 4.606 0.974 7.967 223 H LEU 39 H LEU 39 5.556 -4.353 7.910 224 HA LEU 39 HA LEU 39 2.741 -4.831 8.579 225 2HB LEU 39 2HB LEU 39 4.601 -7.107 8.860 226 HG LEU 39 HG LEU 39 2.800 -8.456 8.327 227 1HD1 LEU 39 1HD1 LEU 39 2.070 -7.789 10.364 228 2HD1 LEU 39 2HD1 LEU 39 2.029 -6.067 9.915 229 3HD1 LEU 39 3HD1 LEU 39 0.716 -7.153 9.399 230 1HD2 LEU 39 1HD2 LEU 39 0.956 -6.392 7.264 231 2HD2 LEU 39 2HD2 LEU 39 2.345 -6.820 6.237 232 3HD2 LEU 39 3HD2 LEU 39 1.209 -8.083 6.768 233 H PHE 40 H PHE 40 2.348 -4.261 10.644 234 HA PHE 40 HA PHE 40 4.658 -4.162 12.439 235 2HB PHE 40 2HB PHE 40 3.345 -2.060 12.024 236 HD1 PHE 40 HD1 PHE 40 1.472 -1.999 10.545 237 HD2 PHE 40 HD2 PHE 40 1.054 -3.651 14.431 238 HE1 PHE 40 HE1 PHE 40 -1.024 -1.987 10.281 239 HE2 PHE 40 HE2 PHE 40 -1.443 -3.640 14.167 240 HZ PHE 40 HZ PHE 40 -2.452 -2.808 12.095 241 H PHE 41 H PHE 41 1.638 -5.802 11.764 242 HA PHE 41 HA PHE 41 0.984 -6.589 14.367 243 2HB PHE 41 2HB PHE 41 0.622 -8.124 11.731 244 HD1 PHE 41 HD1 PHE 41 0.012 -10.230 12.605 245 HD2 PHE 41 HD2 PHE 41 -1.842 -6.723 14.111 246 HE1 PHE 41 HE1 PHE 41 -1.663 -11.642 13.830 247 HE2 PHE 41 HE2 PHE 41 -3.517 -8.135 15.336 248 HZ PHE 41 HZ PHE 41 -3.408 -10.578 15.180 249 H CYS 42 H CYS 42 3.831 -7.175 12.758 250 HA CYS 42 HA CYS 42 4.044 -9.928 13.683 251 2HB CYS 42 2HB CYS 42 4.810 -9.758 11.461 252 HG CYS 42 HG CYS 42 4.780 -7.313 10.929 253 H CYS 43 H CYS 43 5.784 -6.731 13.786 254 HA CYS 43 HA CYS 43 6.989 -7.624 16.300 255 2HB CYS 43 2HB CYS 43 8.639 -7.119 14.568 256 HG CYS 43 HG CYS 43 7.166 -5.632 13.005 257 H ASP 44 H ASP 44 5.520 -4.815 14.526 258 HA ASP 44 HA ASP 44 4.416 -3.074 15.195 259 2HB ASP 44 2HB ASP 44 3.667 -5.110 17.291 260 HD2 ASP 44 HD2 ASP 44 3.771 -4.206 19.106 261 H ILE 45 H ILE 45 7.259 -3.775 16.328 262 HA ILE 45 HA ILE 45 7.200 -2.045 18.691 263 HB ILE 45 HB ILE 45 8.677 -4.431 17.932 264 2HG1 ILE 45 2HG1 ILE 45 8.181 -2.949 20.526 265 1HG2 ILE 45 1HG2 ILE 45 10.771 -3.589 19.187 266 2HG2 ILE 45 2HG2 ILE 45 10.575 -3.168 17.468 267 3HG2 ILE 45 3HG2 ILE 45 10.207 -1.965 18.727 268 1HD1 ILE 45 1HD1 ILE 45 7.081 -5.572 19.417 269 2HD1 ILE 45 2HD1 ILE 45 6.630 -4.800 20.956 270 3HD1 ILE 45 3HD1 ILE 45 6.199 -4.025 19.412 271 H CYS 46 H CYS 46 9.351 -2.731 15.836 272 HA CYS 46 HA CYS 46 10.179 0.045 15.937 273 2HB CYS 46 2HB CYS 46 11.902 -1.723 15.752 274 HG CYS 46 HG CYS 46 10.479 -2.053 12.777 275 H ALA 47 H ALA 47 7.815 -1.974 14.493 276 HA ALA 47 HA ALA 47 7.671 -0.321 12.082 277 1HB ALA 47 1HB ALA 47 6.570 -2.102 11.078 278 2HB ALA 47 2HB ALA 47 7.630 -2.968 12.216 279 3HB ALA 47 3HB ALA 47 5.916 -2.707 12.619 280 H ALA 48 H ALA 48 5.273 0.149 11.399 281 HA ALA 48 HA ALA 48 3.255 0.992 11.848 282 1HB ALA 48 1HB ALA 48 3.679 -0.678 14.070 283 2HB ALA 48 2HB ALA 48 3.209 0.894 14.762 284 3HB ALA 48 3HB ALA 48 2.146 0.086 13.584 285 H GLU 49 H GLU 49 4.902 2.794 11.157 286 HA GLU 49 HA GLU 49 5.541 4.587 13.292 287 2HB GLU 49 2HB GLU 49 7.169 4.382 11.524 288 2HG GLU 49 2HG GLU 49 6.223 5.442 9.200 289 HE2 GLU 49 HE2 GLU 49 8.163 3.650 9.003 290 H PHE 50 H PHE 50 4.699 6.751 13.536 291 HA PHE 50 HA PHE 50 1.975 6.957 12.549 292 2HB PHE 50 2HB PHE 50 2.219 9.023 14.231 293 HD1 PHE 50 HD1 PHE 50 0.251 8.353 15.278 294 HD2 PHE 50 HD2 PHE 50 3.635 5.796 15.434 295 HE1 PHE 50 HE1 PHE 50 -0.954 6.855 16.892 296 HE2 PHE 50 HE2 PHE 50 2.429 4.299 17.047 297 HZ PHE 50 HZ PHE 50 0.149 4.846 17.758 298 H MET 51 H MET 51 4.946 7.753 11.350 299 HA MET 51 HA MET 51 4.632 10.475 10.790 300 2HB MET 51 2HB MET 51 6.825 9.337 10.698 301 2HG MET 51 2HG MET 51 5.313 7.409 9.097 302 1HE MET 51 1HE MET 51 9.172 7.680 8.785 303 2HE MET 51 2HE MET 51 9.380 8.610 7.282 304 3HE MET 51 3HE MET 51 8.685 9.391 8.723 305 H ASN 52 H ASN 52 2.772 7.885 9.770 306 HA ASN 52 HA ASN 52 2.400 8.978 7.111 307 2HB ASN 52 2HB ASN 52 1.049 6.892 6.719 308 1HD2 ASN 52 1HD2 ASN 52 3.232 7.583 5.642 309 2HD2 ASN 52 2HD2 ASN 52 4.533 6.452 5.808 310 H MET 53 H MET 53 -0.241 8.473 6.547 311 HA MET 53 HA MET 53 -1.566 10.292 8.318 312 2HB MET 53 2HB MET 53 -1.885 10.596 5.914 313 2HG MET 53 2HG MET 53 -3.372 8.230 5.194 314 1HE MET 53 1HE MET 53 -2.708 10.809 2.955 315 2HE MET 53 2HE MET 53 -2.874 9.320 1.995 316 3HE MET 53 3HE MET 53 -3.793 9.510 3.507 317 H MET 54 H MET 54 -3.885 9.821 9.036 318 HA MET 54 HA MET 54 -3.876 7.480 10.537 319 2HB MET 54 2HB MET 54 -6.502 8.271 10.593 320 2HG MET 54 2HG MET 54 -5.157 10.358 11.989 321 1HE MET 54 1HE MET 54 -6.988 10.108 14.704 322 2HE MET 54 2HE MET 54 -5.541 9.280 15.327 323 3HE MET 54 3HE MET 54 -5.374 10.562 14.103 324 H ASP 55 H ASP 55 -5.326 8.354 7.381 325 HA ASP 55 HA ASP 55 -7.190 6.488 7.046 326 2HB ASP 55 2HB ASP 55 -6.548 6.472 4.615 327 HD2 ASP 55 HD2 ASP 55 -5.012 9.366 5.204 328 H GLU 56 H GLU 56 -3.626 6.088 7.052 329 HA GLU 56 HA GLU 56 -3.283 3.717 5.862 330 2HB GLU 56 2HB GLU 56 -1.391 3.361 7.534 331 2HG GLU 56 2HG GLU 56 -1.081 6.223 6.942 332 HE2 GLU 56 HE2 GLU 56 1.744 5.443 5.369 333 H ALA 57 H ALA 57 -4.283 4.242 9.311 334 HA ALA 57 HA ALA 57 -4.472 1.506 9.919 335 1HB ALA 57 1HB ALA 57 -4.238 3.200 11.643 336 2HB ALA 57 2HB ALA 57 -5.752 3.985 11.135 337 3HB ALA 57 3HB ALA 57 -5.793 2.367 11.874 338 H PHE 58 H PHE 58 -6.896 3.979 8.855 339 HA PHE 58 HA PHE 58 -9.149 2.452 9.010 340 2HB PHE 58 2HB PHE 58 -8.429 4.264 6.646 341 HD1 PHE 58 HD1 PHE 58 -10.422 2.989 5.662 342 HD2 PHE 58 HD2 PHE 58 -10.734 5.508 9.063 343 HE1 PHE 58 HE1 PHE 58 -12.900 3.169 5.302 344 HE2 PHE 58 HE2 PHE 58 -13.211 5.688 8.702 345 HZ PHE 58 HZ PHE 58 -14.265 4.517 6.826 346 H LYS 59 H LYS 59 -6.555 2.394 6.540 347 HA LYS 59 HA LYS 59 -7.898 0.967 4.582 348 2HB LYS 59 2HB LYS 59 -4.989 1.210 5.348 349 2HG LYS 59 2HG LYS 59 -5.287 0.286 2.658 350 2HD LYS 59 2HD LYS 59 -4.355 -1.659 4.711 351 2HE LYS 59 2HE LYS 59 -2.232 -1.371 3.267 352 1HZ LYS 59 1HZ LYS 59 -4.818 -2.265 2.137 353 2HZ LYS 59 2HZ LYS 59 -3.428 -2.442 1.307 354 H HIS 60 H HIS 60 -5.921 -0.205 7.385 355 HA HIS 60 HA HIS 60 -5.994 -2.858 6.908 356 2HB HIS 60 2HB HIS 60 -6.144 -1.281 9.474 357 HD1 HIS 60 HD1 HIS 60 -6.330 -4.851 8.237 358 HD2 HIS 60 HD2 HIS 60 -5.904 -2.763 11.850 359 HE1 HIS 60 HE1 HIS 60 -6.639 -6.570 10.097 360 H THR 61 H THR 61 -8.633 -0.772 8.159 361 HA THR 61 HA THR 61 -10.375 -2.890 8.831 362 HB THR 61 HB THR 61 -10.915 0.029 8.066 363 HG1 THR 61 HG1 THR 61 -10.914 -0.093 10.603 364 1HG2 THR 61 1HG2 THR 61 -12.938 -0.173 9.363 365 2HG2 THR 61 2HG2 THR 61 -12.942 -1.588 8.284 366 3HG2 THR 61 3HG2 THR 61 -12.460 -1.770 9.987 367 H ALA 62 H ALA 62 -9.667 -1.162 5.789 368 HA ALA 62 HA ALA 62 -11.911 -2.011 4.374 369 1HB ALA 62 1HB ALA 62 -10.316 -1.648 2.385 370 2HB ALA 62 2HB ALA 62 -10.575 -0.264 3.474 371 3HB ALA 62 3HB ALA 62 -9.084 -1.228 3.600 372 H ARG 63 H ARG 63 -8.559 -3.425 4.491 373 HA ARG 63 HA ARG 63 -9.382 -5.684 3.048 374 2HB ARG 63 2HB ARG 63 -6.923 -5.438 4.847 375 2HG ARG 63 2HG ARG 63 -6.852 -6.752 2.164 376 2HD ARG 63 2HD ARG 63 -5.905 -8.306 4.442 377 HE ARG 63 HE ARG 63 -5.022 -7.694 1.850 378 1HH1 ARG 63 1HH1 ARG 63 -3.544 -7.863 5.066 379 2HH1 ARG 63 2HH1 ARG 63 -1.977 -8.282 4.461 380 2HH2 ARG 63 2HH2 ARG 63 -1.653 -8.504 2.096 381 H HIS 64 H HIS 64 -10.539 -4.803 5.903 382 HA HIS 64 HA HIS 64 -9.937 -7.053 7.535 383 2HB HIS 64 2HB HIS 64 -12.272 -5.174 7.888 384 HD1 HIS 64 HD1 HIS 64 -11.172 -4.413 10.772 385 HD2 HIS 64 HD2 HIS 64 -11.651 -8.303 9.274 386 HE1 HIS 64 HE1 HIS 64 -11.390 -5.940 12.804 387 H ASN 65 H ASN 65 -13.005 -5.919 5.934 388 HA ASN 65 HA ASN 65 -13.749 -8.735 5.833 389 2HB ASN 65 2HB ASN 65 -15.601 -7.938 6.942 390 1HD2 ASN 65 1HD2 ASN 65 -14.646 -6.558 8.437 391 2HD2 ASN 65 2HD2 ASN 65 -14.772 -4.833 8.342 392 H VAL 66 H VAL 66 -14.339 -5.521 4.200 393 HA VAL 66 HA VAL 66 -14.650 -6.922 1.663 394 HB VAL 66 HB VAL 66 -14.955 -3.971 1.987 395 1HG1 VAL 66 1HG1 VAL 66 -17.053 -5.513 0.639 396 2HG1 VAL 66 2HG1 VAL 66 -16.093 -4.130 0.060 397 3HG1 VAL 66 3HG1 VAL 66 -15.434 -5.780 -0.052 398 1HG2 VAL 66 1HG2 VAL 66 -16.666 -6.049 3.317 399 2HG2 VAL 66 2HG2 VAL 66 -16.175 -4.438 3.891 400 3HG2 VAL 66 3HG2 VAL 66 -17.432 -4.591 2.641 401 H ASP 67 H ASP 67 -13.834 -4.454 0.166 402 HA ASP 67 HA ASP 67 -10.983 -4.520 0.732 403 2HB ASP 67 2HB ASP 67 -12.296 -4.773 -2.015 404 HD2 ASP 67 HD2 ASP 67 -9.462 -4.767 -3.733 405 H GLU 68 H GLU 68 -10.091 -2.426 0.657 406 HA GLU 68 HA GLU 68 -11.473 -0.438 -0.912 407 2HB GLU 68 2HB GLU 68 -10.759 0.702 1.683 408 2HG GLU 68 2HG GLU 68 -13.530 0.836 1.349 409 HE2 GLU 68 HE2 GLU 68 -11.401 2.399 -0.915 410 H LEU 69 H LEU 69 -10.080 1.195 -1.698 411 HA LEU 69 HA LEU 69 -7.338 1.128 -0.686 412 2HB LEU 69 2HB LEU 69 -7.620 -0.352 -2.705 413 HG LEU 69 HG LEU 69 -7.650 0.587 -4.894 414 1HD1 LEU 69 1HD1 LEU 69 -9.986 1.903 -3.502 415 2HD1 LEU 69 2HD1 LEU 69 -9.916 1.190 -5.132 416 3HD1 LEU 69 3HD1 LEU 69 -9.848 0.139 -3.697 417 1HD2 LEU 69 1HD2 LEU 69 -8.413 3.330 -4.336 418 2HD2 LEU 69 2HD2 LEU 69 -6.811 2.947 -3.661 419 3HD2 LEU 69 3HD2 LEU 69 -7.131 2.690 -5.393 420 H HIS 70 H HIS 70 -6.314 3.136 -0.652 421 HA HIS 70 HA HIS 70 -7.747 5.337 -1.897 422 2HB HIS 70 2HB HIS 70 -7.186 6.569 0.390 423 HD1 HIS 70 HD1 HIS 70 -9.328 7.819 0.568 424 HD2 HIS 70 HD2 HIS 70 -9.960 3.720 -0.062 425 HE1 HIS 70 HE1 HIS 70 -11.858 7.483 0.529 426 H ILE 71 H ILE 71 -6.388 7.005 -2.609 427 HA ILE 71 HA ILE 71 -3.568 6.755 -1.877 428 HB ILE 71 HB ILE 71 -3.432 5.627 -3.852 429 2HG1 ILE 71 2HG1 ILE 71 -2.124 6.930 -5.175 430 1HG2 ILE 71 1HG2 ILE 71 -5.599 7.400 -5.012 431 2HG2 ILE 71 2HG2 ILE 71 -4.772 6.073 -5.861 432 3HG2 ILE 71 3HG2 ILE 71 -5.792 5.724 -4.444 433 1HD1 ILE 71 1HD1 ILE 71 -4.280 9.074 -4.939 434 2HD1 ILE 71 2HD1 ILE 71 -2.722 9.329 -5.761 435 3HD1 ILE 71 3HD1 ILE 71 -3.867 8.115 -6.381 436 H ASP 72 H ASP 72 -2.641 8.691 -1.385 437 HA ASP 72 HA ASP 72 -3.899 11.058 -2.461 438 2HB ASP 72 2HB ASP 72 -3.232 10.809 0.503 439 HD2 ASP 72 HD2 ASP 72 -4.464 14.000 1.002 440 H GLY 73 H GLY 73 -2.343 12.763 -2.749 441 1HA GLY 73 1HA GLY 73 0.363 12.264 -1.681 442 2HA GLY 73 2HA GLY 73 0.113 12.581 -3.385 443 H ASN 74 H ASN 74 1.246 14.068 -0.755 444 HA ASN 74 HA ASN 74 0.315 16.631 -1.709 445 2HB ASN 74 2HB ASN 74 0.515 16.110 1.288 446 1HD2 ASN 74 1HD2 ASN 74 -1.883 17.397 1.827 447 2HD2 ASN 74 2HD2 ASN 74 -1.758 19.079 1.434 448 H TYR 75 H TYR 75 2.048 18.134 -1.717 449 HA TYR 75 HA TYR 75 4.647 17.223 -1.424 450 2HB TYR 75 2HB TYR 75 5.123 19.670 -1.670 451 HD1 TYR 75 HD1 TYR 75 2.611 21.265 -2.905 452 HD2 TYR 75 HD2 TYR 75 4.414 17.445 -3.587 453 HE1 TYR 75 HE1 TYR 75 1.748 21.275 -5.296 454 HE2 TYR 75 HE2 TYR 75 3.544 17.469 -5.976 455 HH TYR 75 HH TYR 75 2.443 18.553 -7.476 456 H GLN 76 H GLN 76 2.347 18.084 1.012 457 HA GLN 76 HA GLN 76 4.499 18.667 2.877 458 2HB GLN 76 2HB GLN 76 2.641 20.301 2.796 459 2HG GLN 76 2HG GLN 76 1.008 18.048 2.481 460 1HE2 GLN 76 1HE2 GLN 76 -1.269 19.332 4.001 461 2HE2 GLN 76 2HE2 GLN 76 -1.247 18.603 5.572 462 H LEU 77 H LEU 77 2.485 16.137 1.748 463 HA LEU 77 HA LEU 77 1.712 14.741 3.937 464 2HB LEU 77 2HB LEU 77 3.010 13.251 1.707 465 HG LEU 77 HG LEU 77 1.376 12.298 3.537 466 1HD1 LEU 77 1HD1 LEU 77 -0.302 14.206 2.329 467 2HD1 LEU 77 2HD1 LEU 77 -0.886 12.617 1.779 468 3HD1 LEU 77 3HD1 LEU 77 -0.742 12.958 3.520 469 1HD2 LEU 77 1HD2 LEU 77 0.436 11.323 0.946 470 2HD2 LEU 77 2HD2 LEU 77 2.206 11.480 1.035 471 3HD2 LEU 77 3HD2 LEU 77 1.339 10.489 2.233 472 H GLY 78 H GLY 78 4.899 14.219 2.261 473 1HA GLY 78 1HA GLY 78 6.614 14.476 4.322 474 2HA GLY 78 2HA GLY 78 5.935 12.886 4.609 475 H ARG 79 H ARG 79 6.107 14.102 1.289 476 HA ARG 79 HA ARG 79 7.092 13.293 -0.467 477 2HB ARG 79 2HB ARG 79 9.632 13.194 -0.360 478 2HG ARG 79 2HG ARG 79 8.459 15.557 1.177 479 2HD ARG 79 2HD ARG 79 10.254 16.805 -0.082 480 HE ARG 79 HE ARG 79 11.073 16.242 2.082 481 1HH1 ARG 79 1HH1 ARG 79 11.529 13.558 -0.186 482 2HH1 ARG 79 2HH1 ARG 79 12.622 12.704 0.851 483 2HH2 ARG 79 2HH2 ARG 79 13.186 13.638 2.985 484 H ASN 80 H ASN 80 5.725 11.234 0.590 485 HA ASN 80 HA ASN 80 7.644 9.043 0.698 486 2HB ASN 80 2HB ASN 80 6.130 7.848 2.107 487 1HD2 ASN 80 1HD2 ASN 80 4.043 10.256 2.945 488 2HD2 ASN 80 2HD2 ASN 80 4.934 11.051 4.199 489 H VAL 81 H VAL 81 7.619 7.764 -1.158 490 HA VAL 81 HA VAL 81 5.114 7.716 -2.697 491 HB VAL 81 HB VAL 81 6.457 7.548 -4.707 492 1HG1 VAL 81 1HG1 VAL 81 6.172 9.767 -4.684 493 2HG1 VAL 81 2HG1 VAL 81 6.455 9.860 -2.929 494 3HG1 VAL 81 3HG1 VAL 81 7.833 9.887 -4.055 495 1HG2 VAL 81 1HG2 VAL 81 8.764 7.539 -2.765 496 2HG2 VAL 81 2HG2 VAL 81 8.436 6.451 -4.135 497 3HG2 VAL 81 3HG2 VAL 81 8.978 8.119 -4.433 498 H LEU 82 H LEU 82 4.161 5.772 -2.371 499 HA LEU 82 HA LEU 82 5.936 3.435 -2.419 500 2HB LEU 82 2HB LEU 82 4.271 2.381 -0.849 501 HG LEU 82 HG LEU 82 5.797 4.772 0.216 502 1HD1 LEU 82 1HD1 LEU 82 4.095 4.213 1.809 503 2HD1 LEU 82 2HD1 LEU 82 4.472 2.479 1.683 504 3HD1 LEU 82 3HD1 LEU 82 5.652 3.595 2.410 505 1HD2 LEU 82 1HD2 LEU 82 6.728 2.362 -0.882 506 2HD2 LEU 82 2HD2 LEU 82 7.651 3.565 0.051 507 3HD2 LEU 82 3HD2 LEU 82 6.892 2.186 0.882 508 H LEU 83 H LEU 83 5.536 2.153 -4.136 509 HA LEU 83 HA LEU 83 2.829 2.297 -5.270 510 2HB LEU 83 2HB LEU 83 5.505 1.938 -6.617 511 HG LEU 83 HG LEU 83 2.762 1.394 -7.639 512 1HD1 LEU 83 1HD1 LEU 83 3.575 3.594 -8.682 513 2HD1 LEU 83 2HD1 LEU 83 4.793 2.598 -9.513 514 3HD1 LEU 83 3HD1 LEU 83 3.060 2.290 -9.778 515 1HD2 LEU 83 1HD2 LEU 83 4.935 -0.147 -7.348 516 2HD2 LEU 83 2HD2 LEU 83 3.720 -0.407 -8.625 517 3HD2 LEU 83 3HD2 LEU 83 5.234 0.454 -8.997 518 H LYS 84 H LYS 84 1.690 0.531 -4.675 519 HA LYS 84 HA LYS 84 3.124 -2.029 -4.769 520 2HB LYS 84 2HB LYS 84 0.892 -2.002 -2.898 521 2HG LYS 84 2HG LYS 84 2.794 -2.827 -1.390 522 2HD LYS 84 2HD LYS 84 3.234 -4.911 -2.864 523 2HE LYS 84 2HE LYS 84 0.738 -5.535 -2.874 524 1HZ LYS 84 1HZ LYS 84 0.622 -5.172 -0.363 525 2HZ LYS 84 2HZ LYS 84 1.903 -6.024 -0.896 526 H ASN 85 H ASN 85 2.326 -3.345 -6.311 527 HA ASN 85 HA ASN 85 -0.432 -2.834 -7.107 528 2HB ASN 85 2HB ASN 85 2.019 -3.776 -8.654 529 1HD2 ASN 85 1HD2 ASN 85 -1.331 -2.917 -9.455 530 2HD2 ASN 85 2HD2 ASN 85 -1.689 -4.296 -10.440 531 H GLY 86 H GLY 86 -1.774 -4.467 -6.327 532 1HA GLY 86 1HA GLY 86 -0.630 -7.188 -6.112 533 2HA GLY 86 2HA GLY 86 -1.806 -6.514 -5.000 534 H GLU 87 H GLU 87 -1.424 -8.513 -7.683 535 HA GLU 87 HA GLU 87 -4.228 -8.110 -8.382 536 2HB GLU 87 2HB GLU 87 -2.201 -9.184 -10.363 537 2HG GLU 87 2HG GLU 87 -4.084 -7.594 -11.657 538 HE2 GLU 87 HE2 GLU 87 -5.530 -11.091 -11.589 539 H ASP 88 H ASP 88 -5.470 -9.859 -7.875 540 HA ASP 88 HA ASP 88 -4.275 -12.466 -8.184 541 2HB ASP 88 2HB ASP 88 -5.915 -12.210 -5.723 542 HD2 ASP 88 HD2 ASP 88 -4.392 -15.255 -5.471 543 H ARG 89 H ARG 89 -5.970 -14.155 -8.417 544 HA ARG 89 HA ARG 89 -8.589 -12.964 -8.868 545 2HB ARG 89 2HB ARG 89 -8.464 -15.427 -10.280 546 2HG ARG 89 2HG ARG 89 -7.931 -12.624 -11.369 547 2HD ARG 89 2HD ARG 89 -9.634 -14.569 -12.843 548 HE ARG 89 HE ARG 89 -8.966 -12.966 -14.392 549 1HH1 ARG 89 1HH1 ARG 89 -6.218 -13.631 -12.256 550 2HH1 ARG 89 2HH1 ARG 89 -5.145 -12.566 -13.101 551 2HH2 ARG 89 2HH2 ARG 89 -5.949 -11.358 -15.008 552 H LEU 90 H LEU 90 -10.098 -13.645 -7.380 553 HA LEU 90 HA LEU 90 -9.787 -16.374 -6.338 554 2HB LEU 90 2HB LEU 90 -11.135 -14.819 -4.420 555 HG LEU 90 HG LEU 90 -8.668 -16.384 -4.557 556 1HD1 LEU 90 1HD1 LEU 90 -7.411 -14.520 -3.961 557 2HD1 LEU 90 2HD1 LEU 90 -8.706 -13.843 -2.944 558 3HD1 LEU 90 3HD1 LEU 90 -7.797 -15.271 -2.394 559 1HD2 LEU 90 1HD2 LEU 90 -9.421 -17.278 -2.526 560 2HD2 LEU 90 2HD2 LEU 90 -10.386 -15.833 -2.140 561 3HD2 LEU 90 3HD2 LEU 90 -10.906 -16.929 -3.443 562 H ARG 91 H ARG 91 -11.840 -17.407 -5.686 563 HA ARG 91 HA ARG 91 -13.812 -16.792 -7.628 564 2HB ARG 91 2HB ARG 91 -14.898 -18.725 -5.892 565 2HG ARG 91 2HG ARG 91 -14.199 -18.569 -8.550 566 2HD ARG 91 2HD ARG 91 -12.068 -20.071 -7.126 567 HE ARG 91 HE ARG 91 -13.007 -22.083 -8.013 568 1HH1 ARG 91 1HH1 ARG 91 -12.599 -19.623 -10.529 569 2HH1 ARG 91 2HH1 ARG 91 -12.801 -20.744 -11.833 570 2HH2 ARG 91 2HH2 ARG 91 -13.197 -23.056 -11.342 571 H PHE 92 H PHE 92 -13.079 -15.548 -4.583 572 HA PHE 92 HA PHE 92 -15.700 -15.404 -3.485 573 2HB PHE 92 2HB PHE 92 -14.085 -13.348 -2.409 574 HD1 PHE 92 HD1 PHE 92 -12.393 -16.407 -1.705 575 HD2 PHE 92 HD2 PHE 92 -15.910 -14.200 -0.828 576 HE1 PHE 92 HE1 PHE 92 -12.728 -17.768 0.377 577 HE2 PHE 92 HE2 PHE 92 -16.246 -15.562 1.254 578 HZ PHE 92 HZ PHE 92 -14.651 -17.330 1.831 579 H TYR 93 H TYR 93 -13.676 -13.377 -5.625 580 HA TYR 93 HA TYR 93 -15.514 -11.155 -5.425 581 2HB TYR 93 2HB TYR 93 -13.780 -10.621 -7.490 582 HD1 TYR 93 HD1 TYR 93 -12.993 -11.611 -3.947 583 HD2 TYR 93 HD2 TYR 93 -12.920 -8.549 -6.933 584 HE1 TYR 93 HE1 TYR 93 -11.994 -9.986 -2.266 585 HE2 TYR 93 HE2 TYR 93 -11.921 -6.934 -5.243 586 HH TYR 93 HH TYR 93 -10.631 -7.031 -3.208 587 H VAL 94 H VAL 94 -16.512 -10.191 -7.394 588 HA VAL 94 HA VAL 94 -17.351 -12.332 -9.221 589 HB VAL 94 HB VAL 94 -19.399 -11.046 -9.512 590 1HG1 VAL 94 1HG1 VAL 94 -18.590 -12.433 -7.166 591 2HG1 VAL 94 2HG1 VAL 94 -19.601 -11.063 -6.647 592 3HG1 VAL 94 3HG1 VAL 94 -20.233 -12.239 -7.824 593 1HG2 VAL 94 1HG2 VAL 94 -18.279 -8.807 -9.024 594 2HG2 VAL 94 2HG2 VAL 94 -19.906 -9.047 -8.344 595 3HG2 VAL 94 3HG2 VAL 94 -18.474 -9.199 -7.298 596 H LYS 95 H LYS 95 -16.122 -8.992 -8.870 597 HA LYS 95 HA LYS 95 -16.117 -8.658 -11.751 598 2HB LYS 95 2HB LYS 95 -14.835 -6.609 -10.059 599 2HG LYS 95 2HG LYS 95 -17.292 -6.102 -11.680 600 2HD LYS 95 2HD LYS 95 -14.671 -4.818 -11.041 601 2HE LYS 95 2HE LYS 95 -15.233 -3.270 -13.142 602 1HZ LYS 95 1HZ LYS 95 -13.829 -5.196 -14.400 603 2HZ LYS 95 2HZ LYS 95 -13.158 -4.116 -13.384 604 H PHE 96 H PHE 96 -13.940 -9.388 -9.025 605 HA PHE 96 HA PHE 96 -11.715 -9.631 -8.954 606 2HB PHE 96 2HB PHE 96 -12.762 -11.781 -9.848 607 HD1 PHE 96 HD1 PHE 96 -10.501 -11.477 -12.624 608 HD2 PHE 96 HD2 PHE 96 -14.585 -11.223 -11.501 609 HE1 PHE 96 HE1 PHE 96 -11.178 -11.727 -15.028 610 HE2 PHE 96 HE2 PHE 96 -15.262 -11.474 -13.904 611 HZ PHE 96 HZ PHE 96 -13.550 -11.723 -15.639 612 H GLY 97 H GLY 97 -12.006 -7.150 -10.026 613 1HA GLY 97 1HA GLY 97 -10.845 -6.882 -12.623 614 2HA GLY 97 2HA GLY 97 -11.156 -5.616 -11.452 615 HA PRO 98 HA PRO 98 -6.666 -7.036 -11.440 616 2HB PRO 98 2HB PRO 98 -6.014 -7.607 -13.573 617 2HG PRO 98 2HG PRO 98 -7.543 -7.084 -15.219 618 2HD PRO 98 2HD PRO 98 -9.479 -7.044 -13.980 619 H GLY 99 H GLY 99 -7.203 -5.569 -9.632 620 1HA GLY 99 1HA GLY 99 -7.182 -2.876 -9.688 621 2HA GLY 99 2HA GLY 99 -6.427 -3.822 -8.420 622 H ALA 100 H ALA 100 -5.917 -1.666 -11.094 623 HA ALA 100 HA ALA 100 -3.021 -2.145 -10.942 624 1HB ALA 100 1HB ALA 100 -4.613 -0.736 -13.120 625 2HB ALA 100 2HB ALA 100 -2.894 -1.197 -13.168 626 3HB ALA 100 3HB ALA 100 -4.154 -2.455 -13.171 627 H VAL 101 H VAL 101 -1.742 0.002 -11.368 628 HA VAL 101 HA VAL 101 -2.356 1.736 -9.256 629 HB VAL 101 HB VAL 101 -0.565 2.392 -11.584 630 1HG1 VAL 101 1HG1 VAL 101 0.795 3.483 -9.886 631 2HG1 VAL 101 2HG1 VAL 101 -0.879 4.080 -9.795 632 3HG1 VAL 101 3HG1 VAL 101 -0.288 2.898 -8.601 633 1HG2 VAL 101 1HG2 VAL 101 0.223 0.257 -11.266 634 2HG2 VAL 101 2HG2 VAL 101 1.177 1.125 -10.039 635 3HG2 VAL 101 3HG2 VAL 101 -0.268 0.206 -9.556 636 H ILE 102 H ILE 102 -2.804 1.965 -12.835 637 HA ILE 102 HA ILE 102 -3.726 4.587 -12.867 638 HB ILE 102 HB ILE 102 -4.298 2.248 -14.687 639 2HG1 ILE 102 2HG1 ILE 102 -2.545 3.196 -16.091 640 1HG2 ILE 102 1HG2 ILE 102 -5.805 4.498 -14.629 641 2HG2 ILE 102 2HG2 ILE 102 -4.508 5.004 -15.738 642 3HG2 ILE 102 3HG2 ILE 102 -5.471 3.551 -16.098 643 1HD1 ILE 102 1HD1 ILE 102 -1.366 4.952 -14.072 644 2HD1 ILE 102 2HD1 ILE 102 -1.697 5.276 -15.791 645 3HD1 ILE 102 3HD1 ILE 102 -2.969 5.539 -14.575 646 H LYS 103 H LYS 103 -5.366 1.473 -12.182 647 HA LYS 103 HA LYS 103 -7.975 2.501 -12.256 648 2HB LYS 103 2HB LYS 103 -8.466 0.427 -10.871 649 2HG LYS 103 2HG LYS 103 -7.644 -1.130 -12.761 650 2HD LYS 103 2HD LYS 103 -9.384 1.302 -13.063 651 2HE LYS 103 2HE LYS 103 -7.895 0.443 -15.281 652 1HZ LYS 103 1HZ LYS 103 -9.105 -1.086 -16.407 653 2HZ LYS 103 2HZ LYS 103 -9.771 -1.483 -14.974 654 H GLU 104 H GLU 104 -5.577 2.072 -9.580 655 HA GLU 104 HA GLU 104 -7.091 2.754 -7.484 656 2HB GLU 104 2HB GLU 104 -4.992 3.668 -6.457 657 2HG GLU 104 2HG GLU 104 -3.656 1.501 -7.764 658 HE2 GLU 104 HE2 GLU 104 -2.891 1.947 -4.874 659 H PHE 105 H PHE 105 -5.528 5.011 -9.838 660 HA PHE 105 HA PHE 105 -6.056 7.390 -8.631 661 2HB PHE 105 2HB PHE 105 -6.688 7.485 -11.483 662 HD1 PHE 105 HD1 PHE 105 -3.209 6.925 -11.017 663 HD2 PHE 105 HD2 PHE 105 -6.263 9.824 -10.492 664 HE1 PHE 105 HE1 PHE 105 -1.474 8.737 -10.927 665 HE2 PHE 105 HE2 PHE 105 -4.528 11.636 -10.401 666 HZ PHE 105 HZ PHE 105 -2.154 11.071 -10.619 667 H LYS 106 H LYS 106 -8.295 5.287 -10.504 668 HA LYS 106 HA LYS 106 -10.361 6.907 -11.021 669 2HB LYS 106 2HB LYS 106 -10.496 4.104 -9.870 670 2HG LYS 106 2HG LYS 106 -12.557 4.478 -11.720 671 2HD LYS 106 2HD LYS 106 -14.007 4.627 -9.565 672 2HE LYS 106 2HE LYS 106 -12.870 2.287 -8.781 673 1HZ LYS 106 1HZ LYS 106 -14.883 1.958 -9.769 674 2HZ LYS 106 2HZ LYS 106 -14.627 3.015 -10.982 675 H ILE 107 H ILE 107 -9.231 5.864 -7.816 676 HA ILE 107 HA ILE 107 -11.344 6.289 -6.220 677 HB ILE 107 HB ILE 107 -9.148 5.595 -5.466 678 2HG1 ILE 107 2HG1 ILE 107 -10.887 7.434 -4.124 679 1HG2 ILE 107 1HG2 ILE 107 -7.270 6.719 -5.844 680 2HG2 ILE 107 2HG2 ILE 107 -8.223 7.857 -6.825 681 3HG2 ILE 107 3HG2 ILE 107 -7.930 8.197 -5.103 682 1HD1 ILE 107 1HD1 ILE 107 -9.024 5.161 -3.379 683 2HD1 ILE 107 2HD1 ILE 107 -9.858 6.097 -2.116 684 3HD1 ILE 107 3HD1 ILE 107 -10.802 5.207 -3.335 685 H THR 108 H THR 108 -9.526 8.732 -8.067 686 HA THR 108 HA THR 108 -11.586 10.672 -7.310 687 HB THR 108 HB THR 108 -8.639 11.427 -7.470 688 HG1 THR 108 HG1 THR 108 -10.328 10.373 -5.321 689 1HG2 THR 108 1HG2 THR 108 -9.964 12.838 -5.437 690 2HG2 THR 108 2HG2 THR 108 -9.610 13.468 -7.064 691 3HG2 THR 108 3HG2 THR 108 -11.191 12.726 -6.722 692 H ASP 109 H ASP 109 -8.771 9.944 -9.468 693 HA ASP 109 HA ASP 109 -9.103 11.703 -11.389 694 2HB ASP 109 2HB ASP 109 -8.006 9.083 -11.175 695 HD2 ASP 109 HD2 ASP 109 -8.974 8.594 -14.917 Start of MODEL 9 1 1H MET 1 1H MET 1 6.975 14.735 -7.943 2 HA MET 1 HA MET 1 5.380 16.122 -5.934 3 2HB MET 1 2HB MET 1 4.156 13.889 -7.505 4 2HG MET 1 2HG MET 1 3.351 16.808 -7.077 5 1HE MET 1 1HE MET 1 1.509 17.635 -8.880 6 2HE MET 1 2HE MET 1 3.009 16.923 -9.520 7 3HE MET 1 3HE MET 1 1.441 16.502 -10.250 8 H SER 2 H SER 2 3.911 14.476 -4.634 9 HA SER 2 HA SER 2 5.419 12.049 -4.129 10 2HB SER 2 2HB SER 2 6.271 13.387 -2.377 11 HG SER 2 HG SER 2 3.955 14.323 -1.201 12 H GLU 3 H GLU 3 4.002 10.359 -4.332 13 HA GLU 3 HA GLU 3 1.347 10.739 -3.240 14 2HB GLU 3 2HB GLU 3 0.297 9.720 -5.240 15 2HG GLU 3 2HG GLU 3 1.926 11.842 -6.545 16 HE2 GLU 3 HE2 GLU 3 -1.043 11.346 -8.180 17 H VAL 4 H VAL 4 0.680 8.974 -2.052 18 HA VAL 4 HA VAL 4 2.255 6.519 -2.416 19 HB VAL 4 HB VAL 4 1.486 8.087 -0.018 20 1HG1 VAL 4 1HG1 VAL 4 1.580 5.051 0.003 21 2HG1 VAL 4 2HG1 VAL 4 1.546 6.097 1.443 22 3HG1 VAL 4 3HG1 VAL 4 0.157 6.068 0.330 23 1HG2 VAL 4 1HG2 VAL 4 3.796 6.198 -0.587 24 2HG2 VAL 4 2HG2 VAL 4 3.812 7.956 -0.865 25 3HG2 VAL 4 3HG2 VAL 4 3.649 7.318 0.790 26 H ASN 5 H ASN 5 1.042 4.973 -3.371 27 HA ASN 5 HA ASN 5 -1.729 4.815 -2.495 28 2HB ASN 5 2HB ASN 5 -0.995 5.630 -5.040 29 1HD2 ASN 5 1HD2 ASN 5 0.520 4.559 -6.185 30 2HD2 ASN 5 2HD2 ASN 5 0.312 2.986 -6.881 31 H ILE 6 H ILE 6 -2.371 2.667 -2.001 32 HA ILE 6 HA ILE 6 -0.737 0.486 -3.000 33 HB ILE 6 HB ILE 6 -1.027 1.195 -0.088 34 2HG1 ILE 6 2HG1 ILE 6 0.957 2.131 -0.644 35 1HG2 ILE 6 1HG2 ILE 6 -0.197 -0.976 0.518 36 2HG2 ILE 6 2HG2 ILE 6 -1.668 -1.182 -0.464 37 3HG2 ILE 6 3HG2 ILE 6 -0.066 -1.457 -1.191 38 1HD1 ILE 6 1HD1 ILE 6 2.858 0.595 -0.329 39 2HD1 ILE 6 2HD1 ILE 6 1.552 0.183 0.808 40 3HD1 ILE 6 3HD1 ILE 6 1.805 -0.803 -0.653 41 H VAL 7 H VAL 7 -2.143 -0.929 -3.870 42 HA VAL 7 HA VAL 7 -4.782 -1.112 -2.587 43 HB VAL 7 HB VAL 7 -4.779 -0.083 -4.828 44 1HG1 VAL 7 1HG1 VAL 7 -3.589 -2.741 -5.673 45 2HG1 VAL 7 2HG1 VAL 7 -4.334 -1.584 -6.801 46 3HG1 VAL 7 3HG1 VAL 7 -2.888 -1.118 -5.874 47 1HG2 VAL 7 1HG2 VAL 7 -6.321 -2.027 -5.856 48 2HG2 VAL 7 2HG2 VAL 7 -6.198 -2.623 -4.183 49 3HG2 VAL 7 3HG2 VAL 7 -6.842 -0.994 -4.503 50 H VAL 8 H VAL 8 -5.571 -3.155 -2.066 51 HA VAL 8 HA VAL 8 -3.842 -5.408 -2.789 52 HB VAL 8 HB VAL 8 -4.888 -4.685 -0.049 53 1HG1 VAL 8 1HG1 VAL 8 -5.183 -7.110 -0.554 54 2HG1 VAL 8 2HG1 VAL 8 -3.433 -7.222 -0.862 55 3HG1 VAL 8 3HG1 VAL 8 -4.025 -6.794 0.760 56 1HG2 VAL 8 1HG2 VAL 8 -2.329 -4.370 -1.407 57 2HG2 VAL 8 2HG2 VAL 8 -2.891 -3.696 0.140 58 3HG2 VAL 8 3HG2 VAL 8 -2.174 -5.324 0.087 59 H ASN 9 H ASN 9 -5.071 -6.714 -4.039 60 HA ASN 9 HA ASN 9 -7.877 -6.927 -3.271 61 2HB ASN 9 2HB ASN 9 -7.936 -6.043 -5.468 62 1HD2 ASN 9 1HD2 ASN 9 -7.100 -5.729 -7.535 63 2HD2 ASN 9 2HD2 ASN 9 -5.460 -6.101 -7.951 64 H GLY 10 H GLY 10 -8.191 -8.914 -2.252 65 1HA GLY 10 1HA GLY 10 -8.307 -11.199 -2.166 66 2HA GLY 10 2HA GLY 10 -7.215 -11.326 -3.531 67 H ARG 11 H ARG 11 -6.693 -9.422 -0.508 68 HA ARG 11 HA ARG 11 -4.890 -9.342 0.740 69 2HB ARG 11 2HB ARG 11 -4.545 -11.668 1.975 70 2HG ARG 11 2HG ARG 11 -6.519 -9.588 2.171 71 2HD ARG 11 2HD ARG 11 -8.371 -10.863 3.245 72 HE ARG 11 HE ARG 11 -8.016 -11.925 0.470 73 1HH1 ARG 11 1HH1 ARG 11 -9.540 -9.623 2.692 74 2HH1 ARG 11 2HH1 ARG 11 -10.688 -9.063 1.522 75 2HH2 ARG 11 2HH2 ARG 11 -10.665 -9.999 -0.685 76 H GLU 12 H GLU 12 -3.691 -9.217 -1.570 77 HA GLU 12 HA GLU 12 -1.856 -11.473 -1.729 78 2HB GLU 12 2HB GLU 12 -3.175 -10.907 -3.790 79 2HG GLU 12 2HG GLU 12 -2.921 -8.320 -3.206 80 HE2 GLU 12 HE2 GLU 12 -1.154 -6.424 -4.504 81 H ALA 13 H ALA 13 0.347 -11.177 -1.392 82 HA ALA 13 HA ALA 13 1.128 -8.440 -0.668 83 1HB ALA 13 1HB ALA 13 3.022 -10.370 0.240 84 2HB ALA 13 2HB ALA 13 1.898 -9.393 1.213 85 3HB ALA 13 3HB ALA 13 1.403 -10.998 0.628 86 H GLY 14 H GLY 14 3.024 -7.541 -1.555 87 1HA GLY 14 1HA GLY 14 4.154 -9.080 -3.817 88 2HA GLY 14 2HA GLY 14 3.892 -7.347 -3.826 89 H SER 15 H SER 15 4.710 -7.467 -0.763 90 HA SER 15 HA SER 15 7.565 -7.743 -1.259 91 2HB SER 15 2HB SER 15 7.190 -5.372 -1.305 92 HG SER 15 HG SER 15 5.030 -5.620 -0.111 93 H LYS 16 H LYS 16 8.718 -7.530 1.117 94 HA LYS 16 HA LYS 16 7.396 -9.582 2.689 95 2HB LYS 16 2HB LYS 16 9.613 -9.648 3.870 96 2HG LYS 16 2HG LYS 16 10.873 -10.490 1.779 97 2HD LYS 16 2HD LYS 16 8.019 -11.486 2.232 98 2HE LYS 16 2HE LYS 16 10.498 -12.828 1.052 99 1HZ LYS 16 1HZ LYS 16 8.292 -13.940 2.433 100 2HZ LYS 16 2HZ LYS 16 8.227 -14.418 0.877 101 H SER 17 H SER 17 6.665 -6.546 2.469 102 HA SER 17 HA SER 17 7.310 -5.252 4.762 103 2HB SER 17 2HB SER 17 6.122 -3.921 3.283 104 HG SER 17 HG SER 17 3.875 -4.789 2.551 105 H LYS 18 H LYS 18 5.397 -8.131 4.349 106 HA LYS 18 HA LYS 18 3.582 -7.951 6.411 107 2HB LYS 18 2HB LYS 18 3.526 -10.375 6.337 108 2HG LYS 18 2HG LYS 18 3.923 -10.383 3.564 109 2HD LYS 18 2HD LYS 18 1.458 -9.753 3.492 110 2HE LYS 18 2HE LYS 18 0.919 -11.639 5.392 111 1HZ LYS 18 1HZ LYS 18 1.074 -13.165 3.622 112 2HZ LYS 18 2HZ LYS 18 0.827 -11.753 2.849 113 H GLY 19 H GLY 19 7.059 -8.035 6.506 114 1HA GLY 19 1HA GLY 19 7.183 -9.051 9.227 115 2HA GLY 19 2HA GLY 19 8.516 -8.552 8.205 116 H CYS 20 H CYS 20 9.001 -6.245 7.947 117 HA CYS 20 HA CYS 20 7.568 -4.470 9.729 118 2HB CYS 20 2HB CYS 20 9.875 -3.653 10.601 119 HG CYS 20 HG CYS 20 9.067 -6.686 11.576 120 H ALA 21 H ALA 21 8.318 -2.138 9.302 121 HA ALA 21 HA ALA 21 8.388 -1.670 6.549 122 1HB ALA 21 1HB ALA 21 7.829 -0.233 8.828 123 2HB ALA 21 2HB ALA 21 9.375 0.487 8.317 124 3HB ALA 21 3HB ALA 21 7.990 0.468 7.199 125 H LEU 22 H LEU 22 10.942 -1.762 9.087 126 HA LEU 22 HA LEU 22 12.993 -0.787 7.437 127 2HB LEU 22 2HB LEU 22 12.666 -1.869 10.106 128 HG LEU 22 HG LEU 22 14.214 -3.638 9.295 129 1HD1 LEU 22 1HD1 LEU 22 15.249 -1.988 7.562 130 2HD1 LEU 22 2HD1 LEU 22 16.340 -1.555 8.902 131 3HD1 LEU 22 3HD1 LEU 22 16.267 -3.236 8.319 132 1HD2 LEU 22 1HD2 LEU 22 15.648 -3.537 11.136 133 2HD2 LEU 22 2HD2 LEU 22 15.730 -1.758 11.098 134 3HD2 LEU 22 3HD2 LEU 22 14.237 -2.569 11.631 135 H CYS 23 H CYS 23 12.194 -4.183 8.472 136 HA CYS 23 HA CYS 23 13.127 -5.045 5.857 137 2HB CYS 23 2HB CYS 23 14.049 -6.586 8.273 138 HG CYS 23 HG CYS 23 16.063 -6.204 5.879 139 H GLY 24 H GLY 24 12.424 -7.424 5.506 140 1HA GLY 24 1HA GLY 24 9.853 -7.860 6.897 141 2HA GLY 24 2HA GLY 24 10.201 -8.304 5.239 142 H ALA 25 H ALA 25 10.274 -9.307 8.555 143 HA ALA 25 HA ALA 25 11.887 -11.655 7.830 144 1HB ALA 25 1HB ALA 25 12.773 -11.615 9.933 145 2HB ALA 25 2HB ALA 25 12.309 -9.898 9.867 146 3HB ALA 25 3HB ALA 25 11.250 -11.076 10.679 147 H THR 26 H THR 26 8.976 -10.552 9.701 148 HA THR 26 HA THR 26 7.941 -13.278 9.587 149 HB THR 26 HB THR 26 7.058 -10.721 11.029 150 HG1 THR 26 HG1 THR 26 8.385 -11.623 12.569 151 1HG2 THR 26 1HG2 THR 26 5.381 -11.974 12.117 152 2HG2 THR 26 2HG2 THR 26 5.275 -12.636 10.468 153 3HG2 THR 26 3HG2 THR 26 6.158 -13.529 11.731 154 H TRP 27 H TRP 27 6.069 -13.903 8.534 155 HA TRP 27 HA TRP 27 4.727 -11.854 6.948 156 2HB TRP 27 2HB TRP 27 6.679 -13.407 5.803 157 HD1 TRP 27 HD1 TRP 27 3.051 -14.197 4.582 158 HE1 TRP 27 HE1 TRP 27 2.840 -16.738 3.900 159 HE3 TRP 27 HE3 TRP 27 7.765 -15.506 5.970 160 HZ2 TRP 27 HZ2 TRP 27 4.627 -18.960 4.013 161 HZ3 TRP 27 HZ3 TRP 27 8.452 -17.880 5.650 162 HH2 TRP 27 HH2 TRP 27 6.971 -19.581 4.709 163 H GLY 28 H GLY 28 2.533 -12.129 7.139 164 1HA GLY 28 1HA GLY 28 1.288 -14.675 7.219 165 2HA GLY 28 2HA GLY 28 1.411 -14.014 8.838 166 H ASP 29 H ASP 29 -1.044 -14.479 7.269 167 HA ASP 29 HA ASP 29 -1.874 -11.911 6.372 168 2HB ASP 29 2HB ASP 29 -4.091 -13.052 6.073 169 HD2 ASP 29 HD2 ASP 29 -3.839 -14.291 3.426 170 H TYR 30 H TYR 30 -2.076 -13.972 9.277 171 HA TYR 30 HA TYR 30 -4.235 -12.820 10.570 172 2HB TYR 30 2HB TYR 30 -2.009 -13.446 12.363 173 HD1 TYR 30 HD1 TYR 30 -3.139 -14.203 14.233 174 HD2 TYR 30 HD2 TYR 30 -4.459 -15.495 10.374 175 HE1 TYR 30 HE1 TYR 30 -4.948 -15.620 15.319 176 HE2 TYR 30 HE2 TYR 30 -6.264 -16.908 11.473 177 HH TYR 30 HH TYR 30 -6.271 -17.973 14.255 178 H HIS 31 H HIS 31 -1.175 -11.422 9.733 179 HA HIS 31 HA HIS 31 -1.358 -9.488 11.895 180 2HB HIS 31 2HB HIS 31 0.851 -8.865 11.367 181 HD1 HIS 31 HD1 HIS 31 2.543 -11.351 9.840 182 HD2 HIS 31 HD2 HIS 31 -0.001 -11.480 13.172 183 HE1 HIS 31 HE1 HIS 31 3.187 -13.443 11.151 184 H ALA 32 H ALA 32 -1.062 -7.115 11.281 185 HA ALA 32 HA ALA 32 -2.769 -6.590 8.957 186 1HB ALA 32 1HB ALA 32 -3.700 -5.748 10.999 187 2HB ALA 32 2HB ALA 32 -2.142 -5.048 11.500 188 3HB ALA 32 3HB ALA 32 -3.035 -4.344 10.131 189 H ASP 33 H ASP 33 -2.159 -5.004 7.397 190 HA ASP 33 HA ASP 33 0.709 -4.504 7.441 191 2HB ASP 33 2HB ASP 33 -0.137 -3.921 4.866 192 HD2 ASP 33 HD2 ASP 33 2.623 -6.100 5.331 193 H PHE 34 H PHE 34 1.291 -2.351 6.191 194 HA PHE 34 HA PHE 34 -0.745 -0.333 6.826 195 2HB PHE 34 2HB PHE 34 1.747 0.935 6.791 196 HD1 PHE 34 HD1 PHE 34 2.506 1.846 8.950 197 HD2 PHE 34 HD2 PHE 34 -0.687 -0.941 8.731 198 HE1 PHE 34 HE1 PHE 34 1.809 2.461 11.282 199 HE2 PHE 34 HE2 PHE 34 -1.383 -0.325 11.063 200 HZ PHE 34 HZ PHE 34 -0.127 1.368 12.310 201 H LEU 35 H LEU 35 0.079 1.882 5.616 202 HA LEU 35 HA LEU 35 -0.120 1.190 2.835 203 2HB LEU 35 2HB LEU 35 0.080 3.869 2.846 204 HG LEU 35 HG LEU 35 -2.422 2.434 3.779 205 1HD1 LEU 35 1HD1 LEU 35 -3.642 4.326 2.906 206 2HD1 LEU 35 2HD1 LEU 35 -2.448 4.887 4.101 207 3HD1 LEU 35 3HD1 LEU 35 -2.132 5.096 2.362 208 1HD2 LEU 35 1HD2 LEU 35 -2.983 2.643 1.265 209 2HD2 LEU 35 2HD2 LEU 35 -1.225 2.810 1.044 210 3HD2 LEU 35 3HD2 LEU 35 -1.891 1.341 1.796 211 H GLY 36 H GLY 36 2.355 2.210 5.155 212 1HA GLY 36 1HA GLY 36 4.254 3.001 3.141 213 2HA GLY 36 2HA GLY 36 4.524 2.822 4.863 214 H GLU 37 H GLU 37 2.928 0.034 3.749 215 HA GLU 37 HA GLU 37 3.534 -2.005 3.306 216 2HB GLU 37 2HB GLU 37 5.644 -2.455 2.014 217 2HG GLU 37 2HG GLU 37 3.584 -0.428 1.252 218 HE2 GLU 37 HE2 GLU 37 6.806 0.568 0.669 219 H ASP 38 H ASP 38 3.568 -1.744 5.851 220 HA ASP 38 HA ASP 38 5.983 -3.070 6.676 221 2HB ASP 38 2HB ASP 38 6.307 -0.590 7.115 222 HD2 ASP 38 HD2 ASP 38 4.579 -1.690 9.819 223 H LEU 39 H LEU 39 5.620 -4.223 8.791 224 HA LEU 39 HA LEU 39 2.768 -4.390 9.475 225 2HB LEU 39 2HB LEU 39 4.736 -6.679 9.460 226 HG LEU 39 HG LEU 39 2.149 -6.487 10.591 227 1HD1 LEU 39 1HD1 LEU 39 0.665 -7.630 9.296 228 2HD1 LEU 39 2HD1 LEU 39 1.603 -6.828 8.012 229 3HD1 LEU 39 3HD1 LEU 39 1.932 -8.528 8.426 230 1HD2 LEU 39 1HD2 LEU 39 2.763 -8.415 11.566 231 2HD2 LEU 39 2HD2 LEU 39 3.183 -9.189 10.020 232 3HD2 LEU 39 3HD2 LEU 39 4.340 -8.089 10.808 233 H PHE 40 H PHE 40 2.383 -3.688 11.500 234 HA PHE 40 HA PHE 40 4.646 -3.648 13.342 235 2HB PHE 40 2HB PHE 40 3.037 -1.649 12.661 236 HD1 PHE 40 HD1 PHE 40 1.756 -2.250 15.959 237 HD2 PHE 40 HD2 PHE 40 0.827 -2.561 11.830 238 HE1 PHE 40 HE1 PHE 40 -0.686 -2.399 16.519 239 HE2 PHE 40 HE2 PHE 40 -1.614 -2.710 12.390 240 HZ PHE 40 HZ PHE 40 -2.342 -2.627 14.728 241 H PHE 41 H PHE 41 3.173 -6.159 12.670 242 HA PHE 41 HA PHE 41 1.844 -6.627 15.241 243 2HB PHE 41 2HB PHE 41 1.666 -8.772 13.249 244 HD1 PHE 41 HD1 PHE 41 -0.448 -5.729 13.662 245 HD2 PHE 41 HD2 PHE 41 -0.025 -9.891 14.375 246 HE1 PHE 41 HE1 PHE 41 -2.791 -5.814 14.557 247 HE2 PHE 41 HE2 PHE 41 -2.369 -9.976 15.268 248 HZ PHE 41 HZ PHE 41 -3.724 -7.937 15.349 249 H CYS 42 H CYS 42 4.783 -7.070 13.570 250 HA CYS 42 HA CYS 42 5.312 -9.614 14.883 251 2HB CYS 42 2HB CYS 42 6.402 -8.214 12.511 252 HG CYS 42 HG CYS 42 8.625 -7.899 13.446 253 H CYS 43 H CYS 43 6.833 -6.338 14.379 254 HA CYS 43 HA CYS 43 8.119 -6.694 16.985 255 2HB CYS 43 2HB CYS 43 9.170 -4.466 15.468 256 HG CYS 43 HG CYS 43 11.173 -6.785 15.436 257 H ASP 44 H ASP 44 6.736 -4.137 14.781 258 HA ASP 44 HA ASP 44 5.442 -2.438 15.159 259 2HB ASP 44 2HB ASP 44 4.465 -4.352 16.944 260 HD2 ASP 44 HD2 ASP 44 6.208 -3.515 19.070 261 H ILE 45 H ILE 45 8.340 -2.857 16.373 262 HA ILE 45 HA ILE 45 8.261 -0.680 18.330 263 HB ILE 45 HB ILE 45 9.240 -2.874 18.981 264 2HG1 ILE 45 2HG1 ILE 45 9.852 -0.558 19.925 265 1HG2 ILE 45 1HG2 ILE 45 11.320 -3.628 18.105 266 2HG2 ILE 45 2HG2 ILE 45 10.235 -3.352 16.722 267 3HG2 ILE 45 3HG2 ILE 45 11.506 -2.167 17.105 268 1HD1 ILE 45 1HD1 ILE 45 10.377 -2.816 20.979 269 2HD1 ILE 45 2HD1 ILE 45 11.960 -2.749 20.166 270 3HD1 ILE 45 3HD1 ILE 45 11.532 -1.523 21.383 271 H CYS 46 H CYS 46 10.133 -1.886 15.461 272 HA CYS 46 HA CYS 46 11.033 0.856 15.060 273 2HB CYS 46 2HB CYS 46 12.791 -0.842 15.110 274 HG CYS 46 HG CYS 46 10.922 -1.999 12.639 275 H ALA 47 H ALA 47 8.642 -1.427 14.110 276 HA ALA 47 HA ALA 47 8.353 -0.223 11.459 277 1HB ALA 47 1HB ALA 47 6.734 -2.531 12.549 278 2HB ALA 47 2HB ALA 47 7.160 -2.152 10.862 279 3HB ALA 47 3HB ALA 47 8.398 -2.787 11.973 280 H ALA 48 H ALA 48 5.917 0.090 10.819 281 HA ALA 48 HA ALA 48 3.918 1.000 11.193 282 1HB ALA 48 1HB ALA 48 4.465 -0.276 13.663 283 2HB ALA 48 2HB ALA 48 3.904 1.363 14.068 284 3HB ALA 48 3HB ALA 48 2.891 0.300 13.065 285 H GLU 49 H GLU 49 5.602 2.668 10.211 286 HA GLU 49 HA GLU 49 6.193 4.788 12.043 287 2HB GLU 49 2HB GLU 49 6.586 5.323 9.162 288 2HG GLU 49 2HG GLU 49 7.741 6.633 10.881 289 HE2 GLU 49 HE2 GLU 49 9.014 6.079 13.431 290 H PHE 50 H PHE 50 5.341 6.957 11.903 291 HA PHE 50 HA PHE 50 2.608 6.989 11.042 292 2HB PHE 50 2HB PHE 50 2.969 9.446 11.944 293 HD1 PHE 50 HD1 PHE 50 1.029 8.186 13.014 294 HD2 PHE 50 HD2 PHE 50 5.044 7.776 14.328 295 HE1 PHE 50 HE1 PHE 50 0.218 7.281 15.211 296 HE2 PHE 50 HE2 PHE 50 4.233 6.871 16.525 297 HZ PHE 50 HZ PHE 50 1.829 6.635 16.940 298 H MET 51 H MET 51 5.428 7.255 9.331 299 HA MET 51 HA MET 51 5.277 9.616 7.980 300 2HB MET 51 2HB MET 51 7.072 7.788 7.851 301 2HG MET 51 2HG MET 51 5.005 6.564 5.963 302 1HE MET 51 1HE MET 51 7.164 6.510 3.383 303 2HE MET 51 2HE MET 51 6.531 4.860 3.592 304 3HE MET 51 3HE MET 51 5.538 6.260 4.063 305 H ASN 52 H ASN 52 3.162 6.812 7.806 306 HA ASN 52 HA ASN 52 2.049 7.776 5.313 307 2HB ASN 52 2HB ASN 52 0.804 5.412 6.645 308 1HD2 ASN 52 1HD2 ASN 52 3.165 4.880 4.244 309 2HD2 ASN 52 2HD2 ASN 52 2.142 4.825 2.846 310 H MET 53 H MET 53 -0.613 7.235 5.443 311 HA MET 53 HA MET 53 -1.495 9.030 7.505 312 2HB MET 53 2HB MET 53 -3.471 9.244 6.158 313 2HG MET 53 2HG MET 53 -0.986 9.419 4.892 314 1HE MET 53 1HE MET 53 -2.048 9.724 1.711 315 2HE MET 53 2HE MET 53 -0.379 9.459 2.270 316 3HE MET 53 3HE MET 53 -1.100 8.361 1.070 317 H MET 54 H MET 54 -3.517 8.527 8.786 318 HA MET 54 HA MET 54 -3.175 6.110 10.118 319 2HB MET 54 2HB MET 54 -5.743 7.760 10.147 320 2HG MET 54 2HG MET 54 -5.095 7.388 12.737 321 1HE MET 54 1HE MET 54 -5.457 3.839 12.602 322 2HE MET 54 2HE MET 54 -5.936 4.953 13.905 323 3HE MET 54 3HE MET 54 -7.156 3.919 13.124 324 H ASP 55 H ASP 55 -5.469 7.197 7.570 325 HA ASP 55 HA ASP 55 -7.342 5.314 7.648 326 2HB ASP 55 2HB ASP 55 -7.071 7.174 5.943 327 HD2 ASP 55 HD2 ASP 55 -5.969 7.900 4.035 328 H GLU 56 H GLU 56 -3.937 5.008 6.567 329 HA GLU 56 HA GLU 56 -3.958 2.747 5.138 330 2HB GLU 56 2HB GLU 56 -1.988 4.256 5.947 331 2HG GLU 56 2HG GLU 56 -1.724 1.996 7.973 332 HE2 GLU 56 HE2 GLU 56 1.388 2.893 7.480 333 H ALA 57 H ALA 57 -4.260 3.064 8.705 334 HA ALA 57 HA ALA 57 -3.984 0.355 9.323 335 1HB ALA 57 1HB ALA 57 -5.834 1.657 11.099 336 2HB ALA 57 2HB ALA 57 -4.117 1.271 11.368 337 3HB ALA 57 3HB ALA 57 -4.574 2.825 10.632 338 H PHE 58 H PHE 58 -6.950 2.376 8.745 339 HA PHE 58 HA PHE 58 -8.824 0.431 9.084 340 2HB PHE 58 2HB PHE 58 -8.683 2.593 6.898 341 HD1 PHE 58 HD1 PHE 58 -10.963 1.008 9.405 342 HD2 PHE 58 HD2 PHE 58 -10.556 2.811 5.585 343 HE1 PHE 58 HE1 PHE 58 -13.396 0.590 8.948 344 HE2 PHE 58 HE2 PHE 58 -12.989 2.392 5.128 345 HZ PHE 58 HZ PHE 58 -14.379 1.287 6.815 346 H LYS 59 H LYS 59 -6.669 1.002 6.282 347 HA LYS 59 HA LYS 59 -7.960 -0.469 4.368 348 2HB LYS 59 2HB LYS 59 -5.627 0.896 4.513 349 2HG LYS 59 2HG LYS 59 -4.672 -1.339 5.572 350 2HD LYS 59 2HD LYS 59 -5.704 -2.510 3.350 351 2HE LYS 59 2HE LYS 59 -4.035 -2.837 1.646 352 1HZ LYS 59 1HZ LYS 59 -5.028 -0.762 1.223 353 2HZ LYS 59 2HZ LYS 59 -4.286 -0.007 2.460 354 H HIS 60 H HIS 60 -6.090 -1.554 7.209 355 HA HIS 60 HA HIS 60 -5.814 -4.213 6.405 356 2HB HIS 60 2HB HIS 60 -5.782 -2.808 9.072 357 HD1 HIS 60 HD1 HIS 60 -6.531 -4.267 10.958 358 HD2 HIS 60 HD2 HIS 60 -4.533 -6.440 7.977 359 HE1 HIS 60 HE1 HIS 60 -6.343 -6.661 11.822 360 H THR 61 H THR 61 -8.258 -2.615 8.570 361 HA THR 61 HA THR 61 -9.805 -4.905 8.964 362 HB THR 61 HB THR 61 -11.421 -3.298 9.849 363 HG1 THR 61 HG1 THR 61 -10.641 -0.932 9.209 364 1HG2 THR 61 1HG2 THR 61 -8.841 -3.296 10.757 365 2HG2 THR 61 2HG2 THR 61 -8.962 -1.610 10.197 366 3HG2 THR 61 3HG2 THR 61 -10.093 -2.222 11.428 367 H ALA 62 H ALA 62 -9.744 -2.520 6.305 368 HA ALA 62 HA ALA 62 -12.167 -3.403 5.147 369 1HB ALA 62 1HB ALA 62 -11.771 -1.514 4.001 370 2HB ALA 62 2HB ALA 62 -10.140 -1.416 4.707 371 3HB ALA 62 3HB ALA 62 -10.399 -2.303 3.185 372 H ARG 63 H ARG 63 -8.678 -3.991 4.298 373 HA ARG 63 HA ARG 63 -9.304 -5.854 2.343 374 2HB ARG 63 2HB ARG 63 -6.911 -4.775 3.642 375 2HG ARG 63 2HG ARG 63 -6.774 -7.694 2.754 376 2HD ARG 63 2HD ARG 63 -4.572 -6.381 4.288 377 HE ARG 63 HE ARG 63 -4.877 -8.632 2.548 378 1HH1 ARG 63 1HH1 ARG 63 -2.538 -6.068 3.260 379 2HH1 ARG 63 2HH1 ARG 63 -1.171 -7.005 2.760 380 2HH2 ARG 63 2HH2 ARG 63 -1.508 -9.239 1.957 381 H HIS 64 H HIS 64 -9.823 -6.033 5.649 382 HA HIS 64 HA HIS 64 -8.931 -8.693 6.120 383 2HB HIS 64 2HB HIS 64 -11.051 -7.551 7.840 384 HD1 HIS 64 HD1 HIS 64 -10.789 -9.958 8.921 385 HD2 HIS 64 HD2 HIS 64 -7.335 -7.579 9.008 386 HE1 HIS 64 HE1 HIS 64 -9.200 -11.066 10.580 387 H ASN 65 H ASN 65 -12.093 -7.097 5.385 388 HA ASN 65 HA ASN 65 -13.123 -9.777 4.884 389 2HB ASN 65 2HB ASN 65 -15.365 -8.873 5.336 390 1HD2 ASN 65 1HD2 ASN 65 -15.094 -6.605 7.397 391 2HD2 ASN 65 2HD2 ASN 65 -14.522 -7.384 8.834 392 H VAL 66 H VAL 66 -13.736 -6.298 3.943 393 HA VAL 66 HA VAL 66 -14.299 -7.195 1.227 394 HB VAL 66 HB VAL 66 -15.274 -5.025 0.920 395 1HG1 VAL 66 1HG1 VAL 66 -17.158 -5.291 2.249 396 2HG1 VAL 66 2HG1 VAL 66 -16.425 -6.911 2.322 397 3HG1 VAL 66 3HG1 VAL 66 -16.215 -5.778 3.678 398 1HG2 VAL 66 1HG2 VAL 66 -15.237 -3.263 2.550 399 2HG2 VAL 66 2HG2 VAL 66 -14.412 -4.300 3.737 400 3HG2 VAL 66 3HG2 VAL 66 -13.557 -3.776 2.266 401 H ASP 67 H ASP 67 -13.601 -4.484 0.152 402 HA ASP 67 HA ASP 67 -10.720 -4.562 0.477 403 2HB ASP 67 2HB ASP 67 -11.045 -5.864 -1.526 404 HD2 ASP 67 HD2 ASP 67 -13.595 -3.145 -2.708 405 H GLU 68 H GLU 68 -9.785 -2.445 0.294 406 HA GLU 68 HA GLU 68 -11.527 -0.348 -0.673 407 2HB GLU 68 2HB GLU 68 -10.115 0.570 1.707 408 2HG GLU 68 2HG GLU 68 -13.112 0.246 1.480 409 HE2 GLU 68 HE2 GLU 68 -11.106 1.509 3.986 410 H LEU 69 H LEU 69 -10.404 1.387 -1.649 411 HA LEU 69 HA LEU 69 -7.488 1.286 -1.461 412 2HB LEU 69 2HB LEU 69 -8.232 -0.004 -3.441 413 HG LEU 69 HG LEU 69 -9.032 2.664 -4.628 414 1HD1 LEU 69 1HD1 LEU 69 -8.112 1.337 -6.325 415 2HD1 LEU 69 2HD1 LEU 69 -8.856 -0.152 -5.694 416 3HD1 LEU 69 3HD1 LEU 69 -9.869 1.091 -6.468 417 1HD2 LEU 69 1HD2 LEU 69 -10.698 0.522 -3.369 418 2HD2 LEU 69 2HD2 LEU 69 -10.901 2.291 -3.361 419 3HD2 LEU 69 3HD2 LEU 69 -11.315 1.355 -4.817 420 H HIS 70 H HIS 70 -6.584 3.274 -1.175 421 HA HIS 70 HA HIS 70 -8.123 5.584 -2.020 422 2HB HIS 70 2HB HIS 70 -7.019 5.496 0.783 423 HD1 HIS 70 HD1 HIS 70 -6.655 8.112 -0.341 424 HD2 HIS 70 HD2 HIS 70 -10.502 6.849 0.754 425 HE1 HIS 70 HE1 HIS 70 -8.049 10.230 -0.058 426 H ILE 71 H ILE 71 -6.824 7.337 -2.630 427 HA ILE 71 HA ILE 71 -3.959 7.037 -2.131 428 HB ILE 71 HB ILE 71 -3.977 6.135 -4.230 429 2HG1 ILE 71 2HG1 ILE 71 -3.803 9.114 -4.772 430 1HG2 ILE 71 1HG2 ILE 71 -6.456 7.718 -4.605 431 2HG2 ILE 71 2HG2 ILE 71 -5.476 7.417 -6.060 432 3HG2 ILE 71 3HG2 ILE 71 -6.066 6.049 -5.086 433 1HD1 ILE 71 1HD1 ILE 71 -1.292 7.678 -4.589 434 2HD1 ILE 71 2HD1 ILE 71 -1.846 9.079 -3.641 435 3HD1 ILE 71 3HD1 ILE 71 -2.228 7.427 -3.096 436 H ASP 72 H ASP 72 -3.007 8.914 -1.485 437 HA ASP 72 HA ASP 72 -4.345 11.374 -2.193 438 2HB ASP 72 2HB ASP 72 -3.389 11.055 0.652 439 HD2 ASP 72 HD2 ASP 72 -6.545 11.532 0.203 440 H GLY 73 H GLY 73 -2.816 13.119 -2.391 441 1HA GLY 73 1HA GLY 73 -0.040 12.530 -1.579 442 2HA GLY 73 2HA GLY 73 -0.413 13.039 -3.215 443 H ASN 74 H ASN 74 0.901 14.225 -0.519 444 HA ASN 74 HA ASN 74 -0.134 16.867 -1.083 445 2HB ASN 74 2HB ASN 74 0.141 17.207 1.559 446 1HD2 ASN 74 1HD2 ASN 74 -1.834 17.294 2.776 447 2HD2 ASN 74 2HD2 ASN 74 -3.370 17.257 1.978 448 H TYR 75 H TYR 75 1.537 18.477 -0.894 449 HA TYR 75 HA TYR 75 4.190 17.538 -0.982 450 2HB TYR 75 2HB TYR 75 3.605 20.392 -0.254 451 HD1 TYR 75 HD1 TYR 75 6.213 19.153 -0.613 452 HD2 TYR 75 HD2 TYR 75 3.538 20.725 -3.559 453 HE1 TYR 75 HE1 TYR 75 8.173 19.580 -2.175 454 HE2 TYR 75 HE2 TYR 75 5.507 21.148 -5.111 455 HH TYR 75 HH TYR 75 8.580 19.819 -4.526 456 H GLN 76 H GLN 76 2.111 17.897 1.665 457 HA GLN 76 HA GLN 76 4.340 18.589 3.407 458 2HB GLN 76 2HB GLN 76 1.510 18.442 4.419 459 2HG GLN 76 2HG GLN 76 2.884 20.844 5.116 460 1HE2 GLN 76 1HE2 GLN 76 3.378 20.843 7.466 461 2HE2 GLN 76 2HE2 GLN 76 2.419 19.853 8.516 462 H LEU 77 H LEU 77 2.617 15.960 2.149 463 HA LEU 77 HA LEU 77 2.058 14.307 4.226 464 2HB LEU 77 2HB LEU 77 3.431 13.381 1.711 465 HG LEU 77 HG LEU 77 1.843 12.059 3.748 466 1HD1 LEU 77 1HD1 LEU 77 0.244 12.777 1.640 467 2HD1 LEU 77 2HD1 LEU 77 0.807 11.162 1.150 468 3HD1 LEU 77 3HD1 LEU 77 -0.020 11.381 2.711 469 1HD2 LEU 77 1HD2 LEU 77 3.751 11.417 1.602 470 2HD2 LEU 77 2HD2 LEU 77 3.577 10.735 3.237 471 3HD2 LEU 77 3HD2 LEU 77 2.537 10.153 1.915 472 H GLY 78 H GLY 78 5.243 14.311 2.463 473 1HA GLY 78 1HA GLY 78 6.989 14.619 4.467 474 2HA GLY 78 2HA GLY 78 6.482 12.961 4.715 475 H ARG 79 H ARG 79 6.573 14.513 1.489 476 HA ARG 79 HA ARG 79 7.581 13.919 -0.338 477 2HB ARG 79 2HB ARG 79 10.267 13.356 0.594 478 2HG ARG 79 2HG ARG 79 8.825 15.280 -1.069 479 2HD ARG 79 2HD ARG 79 10.597 16.358 1.064 480 HE ARG 79 HE ARG 79 11.241 16.844 -1.797 481 1HH1 ARG 79 1HH1 ARG 79 11.741 17.745 1.592 482 2HH1 ARG 79 2HH1 ARG 79 13.188 18.642 1.270 483 2HH2 ARG 79 2HH2 ARG 79 13.997 18.795 -0.981 484 H ASN 80 H ASN 80 6.220 11.740 0.508 485 HA ASN 80 HA ASN 80 8.149 9.575 0.200 486 2HB ASN 80 2HB ASN 80 6.116 8.237 1.326 487 1HD2 ASN 80 1HD2 ASN 80 6.712 10.751 3.549 488 2HD2 ASN 80 2HD2 ASN 80 8.065 10.071 4.391 489 H VAL 81 H VAL 81 7.861 8.535 -1.778 490 HA VAL 81 HA VAL 81 5.154 8.596 -2.923 491 HB VAL 81 HB VAL 81 7.643 8.474 -4.589 492 1HG1 VAL 81 1HG1 VAL 81 6.201 8.613 -6.287 493 2HG1 VAL 81 2HG1 VAL 81 4.877 8.456 -5.109 494 3HG1 VAL 81 3HG1 VAL 81 5.447 10.070 -5.598 495 1HG2 VAL 81 1HG2 VAL 81 6.611 10.837 -3.088 496 2HG2 VAL 81 2HG2 VAL 81 8.268 10.434 -3.601 497 3HG2 VAL 81 3HG2 VAL 81 7.105 11.092 -4.778 498 H LEU 82 H LEU 82 4.296 6.593 -2.707 499 HA LEU 82 HA LEU 82 6.084 4.346 -3.320 500 2HB LEU 82 2HB LEU 82 4.988 3.026 -1.631 501 HG LEU 82 HG LEU 82 5.689 5.665 -0.321 502 1HD1 LEU 82 1HD1 LEU 82 4.550 3.676 0.942 503 2HD1 LEU 82 2HD1 LEU 82 6.177 2.956 0.870 504 3HD1 LEU 82 3HD1 LEU 82 5.934 4.529 1.666 505 1HD2 LEU 82 1HD2 LEU 82 7.678 5.411 -1.336 506 2HD2 LEU 82 2HD2 LEU 82 7.945 4.164 -0.094 507 3HD2 LEU 82 3HD2 LEU 82 7.389 3.697 -1.718 508 H LEU 83 H LEU 83 5.448 3.273 -5.107 509 HA LEU 83 HA LEU 83 2.597 3.456 -5.795 510 2HB LEU 83 2HB LEU 83 4.420 2.805 -7.975 511 HG LEU 83 HG LEU 83 1.969 3.699 -8.061 512 1HD1 LEU 83 1HD1 LEU 83 1.989 5.651 -6.806 513 2HD1 LEU 83 2HD1 LEU 83 3.546 6.193 -7.477 514 3HD1 LEU 83 3HD1 LEU 83 2.076 6.254 -8.478 515 1HD2 LEU 83 1HD2 LEU 83 3.755 5.149 -9.969 516 2HD2 LEU 83 2HD2 LEU 83 3.818 3.371 -9.919 517 3HD2 LEU 83 3HD2 LEU 83 2.281 4.197 -10.270 518 H LYS 84 H LYS 84 1.593 1.591 -5.265 519 HA LYS 84 HA LYS 84 3.039 -0.885 -5.900 520 2HB LYS 84 2HB LYS 84 1.152 -1.265 -3.755 521 2HG LYS 84 2HG LYS 84 3.879 -1.484 -2.897 522 2HD LYS 84 2HD LYS 84 3.283 -4.015 -3.522 523 2HE LYS 84 2HE LYS 84 1.488 -2.647 -1.486 524 1HZ LYS 84 1HZ LYS 84 1.249 -4.891 -1.199 525 2HZ LYS 84 2HZ LYS 84 2.683 -5.282 -1.864 526 H ASN 85 H ASN 85 2.037 -2.029 -7.458 527 HA ASN 85 HA ASN 85 -0.818 -1.524 -7.759 528 2HB ASN 85 2HB ASN 85 -0.022 -0.899 -9.854 529 1HD2 ASN 85 1HD2 ASN 85 1.877 0.064 -10.017 530 2HD2 ASN 85 2HD2 ASN 85 3.412 -0.715 -10.220 531 H GLY 86 H GLY 86 -2.052 -3.299 -7.125 532 1HA GLY 86 1HA GLY 86 -0.787 -5.969 -7.284 533 2HA GLY 86 2HA GLY 86 -1.938 -5.474 -6.060 534 H GLU 87 H GLU 87 -1.629 -7.260 -8.852 535 HA GLU 87 HA GLU 87 -4.442 -6.823 -9.490 536 2HB GLU 87 2HB GLU 87 -2.129 -7.461 -11.364 537 2HG GLU 87 2HG GLU 87 -4.750 -7.014 -12.606 538 HE2 GLU 87 HE2 GLU 87 -3.111 -8.613 -15.073 539 H ASP 88 H ASP 88 -5.697 -8.571 -9.010 540 HA ASP 88 HA ASP 88 -4.407 -11.172 -9.203 541 2HB ASP 88 2HB ASP 88 -6.427 -10.393 -7.053 542 HD2 ASP 88 HD2 ASP 88 -4.705 -13.240 -8.358 543 H ARG 89 H ARG 89 -5.561 -12.295 -10.778 544 HA ARG 89 HA ARG 89 -8.435 -12.145 -10.641 545 2HB ARG 89 2HB ARG 89 -8.373 -12.027 -13.280 546 2HG ARG 89 2HG ARG 89 -8.212 -9.478 -13.168 547 2HD ARG 89 2HD ARG 89 -10.093 -11.259 -11.862 548 HE ARG 89 HE ARG 89 -9.222 -9.131 -10.135 549 1HH1 ARG 89 1HH1 ARG 89 -12.193 -10.642 -11.335 550 2HH1 ARG 89 2HH1 ARG 89 -13.127 -10.198 -9.946 551 2HH2 ARG 89 2HH2 ARG 89 -12.084 -8.965 -8.175 552 H LEU 90 H LEU 90 -9.485 -14.002 -11.778 553 HA LEU 90 HA LEU 90 -7.662 -16.070 -12.693 554 2HB LEU 90 2HB LEU 90 -8.735 -17.749 -11.232 555 HG LEU 90 HG LEU 90 -6.614 -16.269 -10.528 556 1HD1 LEU 90 1HD1 LEU 90 -6.821 -15.088 -8.531 557 2HD1 LEU 90 2HD1 LEU 90 -8.266 -14.604 -9.452 558 3HD1 LEU 90 3HD1 LEU 90 -8.403 -15.809 -8.149 559 1HD2 LEU 90 1HD2 LEU 90 -7.933 -18.623 -9.551 560 2HD2 LEU 90 2HD2 LEU 90 -6.198 -18.226 -9.574 561 3HD2 LEU 90 3HD2 LEU 90 -7.205 -17.743 -8.187 562 H ARG 91 H ARG 91 -9.022 -17.989 -13.587 563 HA ARG 91 HA ARG 91 -10.707 -16.919 -15.491 564 2HB ARG 91 2HB ARG 91 -9.371 -19.176 -15.452 565 2HG ARG 91 2HG ARG 91 -11.997 -20.426 -14.694 566 2HD ARG 91 2HD ARG 91 -10.517 -22.228 -13.909 567 HE ARG 91 HE ARG 91 -10.232 -21.198 -16.635 568 1HH1 ARG 91 1HH1 ARG 91 -9.285 -23.796 -14.419 569 2HH1 ARG 91 2HH1 ARG 91 -8.939 -24.921 -15.689 570 2HH2 ARG 91 2HH2 ARG 91 -9.233 -24.245 -17.970 571 H PHE 92 H PHE 92 -11.249 -17.793 -12.177 572 HA PHE 92 HA PHE 92 -13.867 -18.701 -12.247 573 2HB PHE 92 2HB PHE 92 -12.956 -16.798 -10.085 574 HD1 PHE 92 HD1 PHE 92 -12.143 -19.674 -8.671 575 HD2 PHE 92 HD2 PHE 92 -15.612 -17.903 -10.355 576 HE1 PHE 92 HE1 PHE 92 -13.590 -21.136 -7.231 577 HE2 PHE 92 HE2 PHE 92 -17.058 -19.364 -8.915 578 HZ PHE 92 HZ PHE 92 -16.029 -20.964 -7.371 579 H TYR 93 H TYR 93 -12.497 -15.411 -12.484 580 HA TYR 93 HA TYR 93 -15.176 -14.267 -12.312 581 2HB TYR 93 2HB TYR 93 -13.737 -12.140 -12.392 582 HD1 TYR 93 HD1 TYR 93 -11.072 -12.624 -10.675 583 HD2 TYR 93 HD2 TYR 93 -15.167 -13.809 -10.297 584 HE1 TYR 93 HE1 TYR 93 -10.801 -12.788 -8.152 585 HE2 TYR 93 HE2 TYR 93 -14.880 -13.970 -7.777 586 HH TYR 93 HH TYR 93 -13.242 -12.779 -6.073 587 H VAL 94 H VAL 94 -16.092 -12.990 -13.999 588 HA VAL 94 HA VAL 94 -14.960 -13.640 -16.623 589 HB VAL 94 HB VAL 94 -17.749 -12.950 -15.693 590 1HG1 VAL 94 1HG1 VAL 94 -18.509 -13.050 -17.964 591 2HG1 VAL 94 2HG1 VAL 94 -17.165 -11.885 -17.901 592 3HG1 VAL 94 3HG1 VAL 94 -16.894 -13.521 -18.546 593 1HG2 VAL 94 1HG2 VAL 94 -16.713 -15.442 -17.079 594 2HG2 VAL 94 2HG2 VAL 94 -16.902 -15.282 -15.317 595 3HG2 VAL 94 3HG2 VAL 94 -18.328 -15.181 -16.378 596 H LYS 95 H LYS 95 -16.026 -11.027 -14.433 597 HA LYS 95 HA LYS 95 -16.007 -8.943 -16.261 598 2HB LYS 95 2HB LYS 95 -15.338 -8.916 -13.303 599 2HG LYS 95 2HG LYS 95 -16.712 -6.622 -14.597 600 2HD LYS 95 2HD LYS 95 -14.162 -6.472 -12.988 601 2HE LYS 95 2HE LYS 95 -16.745 -4.938 -12.562 602 1HZ LYS 95 1HZ LYS 95 -14.860 -4.628 -11.036 603 2HZ LYS 95 2HZ LYS 95 -13.875 -4.221 -12.268 604 H PHE 96 H PHE 96 -13.350 -10.387 -14.286 605 HA PHE 96 HA PHE 96 -11.157 -10.225 -14.438 606 2HB PHE 96 2HB PHE 96 -10.498 -9.463 -17.001 607 HD1 PHE 96 HD1 PHE 96 -12.601 -11.901 -18.121 608 HD2 PHE 96 HD2 PHE 96 -9.360 -11.432 -15.422 609 HE1 PHE 96 HE1 PHE 96 -12.062 -14.342 -18.344 610 HE2 PHE 96 HE2 PHE 96 -8.821 -13.874 -15.646 611 HZ PHE 96 HZ PHE 96 -10.178 -15.299 -17.103 612 H GLY 97 H GLY 97 -11.775 -8.173 -13.035 613 1HA GLY 97 1HA GLY 97 -11.148 -5.659 -14.364 614 2HA GLY 97 2HA GLY 97 -11.670 -5.896 -12.708 615 HA PRO 98 HA PRO 98 -6.943 -6.251 -13.161 616 2HB PRO 98 2HB PRO 98 -6.138 -5.896 -15.288 617 2HG PRO 98 2HG PRO 98 -7.664 -4.977 -16.754 618 2HD PRO 98 2HD PRO 98 -9.630 -5.635 -15.761 619 H GLY 99 H GLY 99 -6.313 -5.747 -11.168 620 1HA GLY 99 1HA GLY 99 -7.184 -3.259 -10.043 621 2HA GLY 99 2HA GLY 99 -6.181 -4.483 -9.293 622 H ALA 100 H ALA 100 -6.182 -1.692 -11.554 623 HA ALA 100 HA ALA 100 -3.293 -1.443 -11.057 624 1HB ALA 100 1HB ALA 100 -3.478 -0.072 -13.286 625 2HB ALA 100 2HB ALA 100 -3.455 -1.849 -13.357 626 3HB ALA 100 3HB ALA 100 -4.996 -0.973 -13.507 627 H VAL 101 H VAL 101 -2.703 1.069 -11.581 628 HA VAL 101 HA VAL 101 -3.834 2.508 -9.480 629 HB VAL 101 HB VAL 101 -2.228 3.372 -11.891 630 1HG1 VAL 101 1HG1 VAL 101 -1.688 5.406 -10.626 631 2HG1 VAL 101 2HG1 VAL 101 -3.436 5.286 -10.937 632 3HG1 VAL 101 3HG1 VAL 101 -2.790 4.896 -9.324 633 1HG2 VAL 101 1HG2 VAL 101 -1.041 1.761 -10.528 634 2HG2 VAL 101 2HG2 VAL 101 -0.340 3.377 -10.267 635 3HG2 VAL 101 3HG2 VAL 101 -1.428 2.671 -9.048 636 H ILE 102 H ILE 102 -4.477 2.494 -13.029 637 HA ILE 102 HA ILE 102 -6.146 4.668 -13.157 638 HB ILE 102 HB ILE 102 -6.862 3.832 -15.206 639 2HG1 ILE 102 2HG1 ILE 102 -7.762 1.680 -14.269 640 1HG2 ILE 102 1HG2 ILE 102 -4.231 3.953 -14.633 641 2HG2 ILE 102 2HG2 ILE 102 -4.343 2.271 -15.204 642 3HG2 ILE 102 3HG2 ILE 102 -4.877 3.606 -16.255 643 1HD1 ILE 102 1HD1 ILE 102 -7.878 1.996 -16.664 644 2HD1 ILE 102 2HD1 ILE 102 -6.139 1.661 -16.849 645 3HD1 ILE 102 3HD1 ILE 102 -7.253 0.352 -16.388 646 H LYS 103 H LYS 103 -6.746 1.379 -11.905 647 HA LYS 103 HA LYS 103 -9.545 1.613 -11.789 648 2HB LYS 103 2HB LYS 103 -8.416 -0.106 -9.740 649 2HG LYS 103 2HG LYS 103 -10.617 -0.457 -10.811 650 2HD LYS 103 2HD LYS 103 -8.988 -0.150 -13.263 651 2HE LYS 103 2HE LYS 103 -10.810 -2.544 -12.881 652 1HZ LYS 103 1HZ LYS 103 -10.238 -1.958 -15.604 653 2HZ LYS 103 2HZ LYS 103 -11.682 -2.273 -14.921 654 H GLU 104 H GLU 104 -6.972 2.061 -9.264 655 HA GLU 104 HA GLU 104 -8.786 2.926 -7.340 656 2HB GLU 104 2HB GLU 104 -6.234 2.131 -7.229 657 2HG GLU 104 2HG GLU 104 -5.938 5.135 -6.855 658 HE2 GLU 104 HE2 GLU 104 -3.442 2.401 -5.840 659 H PHE 105 H PHE 105 -6.877 4.616 -9.861 660 HA PHE 105 HA PHE 105 -6.990 7.185 -9.064 661 2HB PHE 105 2HB PHE 105 -7.304 5.685 -11.688 662 HD1 PHE 105 HD1 PHE 105 -5.739 8.824 -12.025 663 HD2 PHE 105 HD2 PHE 105 -9.545 6.953 -12.154 664 HE1 PHE 105 HE1 PHE 105 -6.633 10.738 -13.382 665 HE2 PHE 105 HE2 PHE 105 -10.439 8.866 -13.511 666 HZ PHE 105 HZ PHE 105 -8.973 10.735 -14.109 667 H LYS 106 H LYS 106 -9.689 5.179 -10.290 668 HA LYS 106 HA LYS 106 -11.479 7.276 -10.760 669 2HB LYS 106 2HB LYS 106 -13.198 5.490 -10.654 670 2HG LYS 106 2HG LYS 106 -10.602 4.866 -12.134 671 2HD LYS 106 2HD LYS 106 -11.543 2.952 -12.896 672 2HE LYS 106 2HE LYS 106 -13.897 3.765 -11.129 673 1HZ LYS 106 1HZ LYS 106 -13.458 1.008 -12.009 674 2HZ LYS 106 2HZ LYS 106 -14.854 1.745 -11.609 675 H ILE 107 H ILE 107 -10.494 5.514 -7.815 676 HA ILE 107 HA ILE 107 -12.486 6.034 -6.092 677 HB ILE 107 HB ILE 107 -10.885 5.943 -4.346 678 2HG1 ILE 107 2HG1 ILE 107 -9.150 7.304 -6.282 679 1HG2 ILE 107 1HG2 ILE 107 -10.815 4.153 -6.596 680 2HG2 ILE 107 2HG2 ILE 107 -9.209 4.226 -5.831 681 3HG2 ILE 107 3HG2 ILE 107 -10.640 3.800 -4.861 682 1HD1 ILE 107 1HD1 ILE 107 -8.548 7.006 -3.354 683 2HD1 ILE 107 2HD1 ILE 107 -8.479 8.455 -4.386 684 3HD1 ILE 107 3HD1 ILE 107 -10.049 7.856 -3.798 685 H THR 108 H THR 108 -10.198 8.380 -7.509 686 HA THR 108 HA THR 108 -11.960 10.521 -6.781 687 HB THR 108 HB THR 108 -10.539 10.060 -4.684 688 HG1 THR 108 HG1 THR 108 -9.771 12.514 -4.953 689 1HG2 THR 108 1HG2 THR 108 -8.227 10.870 -4.714 690 2HG2 THR 108 2HG2 THR 108 -8.370 9.605 -5.959 691 3HG2 THR 108 3HG2 THR 108 -8.365 11.322 -6.429 692 H ASP 109 H ASP 109 -8.582 9.728 -7.833 693 HA ASP 109 HA ASP 109 -8.235 11.942 -9.376 694 2HB ASP 109 2HB ASP 109 -6.504 10.653 -10.543 695 HD2 ASP 109 HD2 ASP 109 -4.584 10.333 -9.478 Start of MODEL 10 1 1H MET 1 1H MET 1 6.388 15.873 -7.612 2 HA MET 1 HA MET 1 5.087 15.927 -5.849 3 2HB MET 1 2HB MET 1 3.461 15.818 -7.783 4 2HG MET 1 2HG MET 1 2.200 13.547 -7.944 5 1HE MET 1 1HE MET 1 2.534 15.348 -9.583 6 2HE MET 1 2HE MET 1 3.882 15.518 -10.732 7 3HE MET 1 3HE MET 1 2.619 14.298 -11.018 8 H SER 2 H SER 2 3.880 14.698 -4.060 9 HA SER 2 HA SER 2 5.131 12.077 -3.780 10 2HB SER 2 2HB SER 2 6.068 13.019 -1.937 11 HG SER 2 HG SER 2 5.785 15.107 -1.556 12 H GLU 3 H GLU 3 3.649 10.439 -3.965 13 HA GLU 3 HA GLU 3 1.122 10.802 -2.615 14 2HB GLU 3 2HB GLU 3 0.056 11.225 -4.574 15 2HG GLU 3 2HG GLU 3 2.301 11.682 -5.668 16 HE2 GLU 3 HE2 GLU 3 1.522 8.589 -7.390 17 H VAL 4 H VAL 4 0.360 8.891 -1.679 18 HA VAL 4 HA VAL 4 1.980 6.508 -2.264 19 HB VAL 4 HB VAL 4 2.512 7.248 -0.093 20 1HG1 VAL 4 1HG1 VAL 4 0.986 8.837 0.578 21 2HG1 VAL 4 2HG1 VAL 4 -0.420 7.843 0.126 22 3HG1 VAL 4 3HG1 VAL 4 0.499 7.467 1.605 23 1HG2 VAL 4 1HG2 VAL 4 0.677 5.412 1.105 24 2HG2 VAL 4 2HG2 VAL 4 1.095 4.804 -0.514 25 3HG2 VAL 4 3HG2 VAL 4 2.382 5.155 0.664 26 H ASN 5 H ASN 5 0.895 4.862 -3.207 27 HA ASN 5 HA ASN 5 -1.961 4.730 -2.659 28 2HB ASN 5 2HB ASN 5 -2.499 4.428 -4.949 29 1HD2 ASN 5 1HD2 ASN 5 -0.857 5.355 -7.087 30 2HD2 ASN 5 2HD2 ASN 5 -0.562 7.047 -6.866 31 H ILE 6 H ILE 6 -2.576 2.635 -2.033 32 HA ILE 6 HA ILE 6 -0.844 0.425 -2.841 33 HB ILE 6 HB ILE 6 -0.156 1.260 -0.597 34 2HG1 ILE 6 2HG1 ILE 6 -0.223 -1.248 -1.542 35 1HG2 ILE 6 1HG2 ILE 6 -3.010 1.096 -0.120 36 2HG2 ILE 6 2HG2 ILE 6 -2.097 0.144 1.075 37 3HG2 ILE 6 3HG2 ILE 6 -1.730 1.871 0.845 38 1HD1 ILE 6 1HD1 ILE 6 0.413 -1.004 1.386 39 2HD1 ILE 6 2HD1 ILE 6 1.381 -1.709 0.069 40 3HD1 ILE 6 3HD1 ILE 6 1.291 0.059 0.260 41 H VAL 7 H VAL 7 -1.945 -1.499 -3.247 42 HA VAL 7 HA VAL 7 -4.787 -1.541 -2.588 43 HB VAL 7 HB VAL 7 -4.936 -0.649 -4.728 44 1HG1 VAL 7 1HG1 VAL 7 -2.633 -2.465 -5.489 45 2HG1 VAL 7 2HG1 VAL 7 -3.616 -1.581 -6.681 46 3HG1 VAL 7 3HG1 VAL 7 -2.671 -0.686 -5.467 47 1HG2 VAL 7 1HG2 VAL 7 -5.951 -3.108 -4.259 48 2HG2 VAL 7 2HG2 VAL 7 -6.230 -2.200 -5.765 49 3HG2 VAL 7 3HG2 VAL 7 -4.971 -3.456 -5.703 50 H VAL 8 H VAL 8 -5.491 -3.565 -1.986 51 HA VAL 8 HA VAL 8 -3.652 -5.786 -2.526 52 HB VAL 8 HB VAL 8 -4.726 -4.772 0.070 53 1HG1 VAL 8 1HG1 VAL 8 -4.078 -7.147 0.965 54 2HG1 VAL 8 2HG1 VAL 8 -5.698 -6.867 0.282 55 3HG1 VAL 8 3HG1 VAL 8 -4.445 -7.668 -0.697 56 1HG2 VAL 8 1HG2 VAL 8 -2.327 -4.487 -0.804 57 2HG2 VAL 8 2HG2 VAL 8 -2.529 -5.109 0.851 58 3HG2 VAL 8 3HG2 VAL 8 -2.131 -6.225 -0.478 59 H ASN 9 H ASN 9 -4.648 -7.520 -3.433 60 HA ASN 9 HA ASN 9 -7.559 -7.496 -3.291 61 2HB ASN 9 2HB ASN 9 -6.369 -9.199 -5.393 62 1HD2 ASN 9 1HD2 ASN 9 -8.663 -9.640 -5.215 63 2HD2 ASN 9 2HD2 ASN 9 -9.809 -8.630 -6.030 64 H GLY 10 H GLY 10 -8.207 -9.074 -1.811 65 1HA GLY 10 1HA GLY 10 -8.295 -11.005 -0.666 66 2HA GLY 10 2HA GLY 10 -7.759 -11.778 -2.145 67 H ARG 11 H ARG 11 -6.373 -9.722 0.523 68 HA ARG 11 HA ARG 11 -4.337 -9.683 1.338 69 2HB ARG 11 2HB ARG 11 -3.874 -11.588 2.744 70 2HG ARG 11 2HG ARG 11 -6.565 -10.684 2.373 71 2HD ARG 11 2HD ARG 11 -6.255 -13.688 2.560 72 HE ARG 11 HE ARG 11 -8.374 -12.105 3.974 73 1HH1 ARG 11 1HH1 ARG 11 -6.689 -15.170 3.400 74 2HH1 ARG 11 2HH1 ARG 11 -7.503 -16.000 4.684 75 2HH2 ARG 11 2HH2 ARG 11 -9.120 -14.823 6.005 76 H GLU 12 H GLU 12 -3.691 -9.398 -1.170 77 HA GLU 12 HA GLU 12 -2.223 -11.640 -2.171 78 2HB GLU 12 2HB GLU 12 -2.769 -8.833 -3.195 79 2HG GLU 12 2HG GLU 12 -0.799 -10.906 -4.170 80 HE2 GLU 12 HE2 GLU 12 -1.788 -11.197 -7.143 81 H ALA 13 H ALA 13 -0.170 -12.090 -1.514 82 HA ALA 13 HA ALA 13 1.456 -9.818 -0.601 83 1HB ALA 13 1HB ALA 13 1.884 -12.731 0.116 84 2HB ALA 13 2HB ALA 13 2.483 -11.279 0.953 85 3HB ALA 13 3HB ALA 13 0.755 -11.700 1.028 86 H GLY 14 H GLY 14 3.970 -10.660 -0.759 87 1HA GLY 14 1HA GLY 14 5.103 -12.246 -2.489 88 2HA GLY 14 2HA GLY 14 4.325 -11.164 -3.626 89 H SER 15 H SER 15 5.481 -10.069 -0.426 90 HA SER 15 HA SER 15 7.938 -9.120 -1.512 91 2HB SER 15 2HB SER 15 6.621 -7.303 -2.340 92 HG SER 15 HG SER 15 4.721 -6.942 -1.435 93 H LYS 16 H LYS 16 8.903 -7.473 0.365 94 HA LYS 16 HA LYS 16 8.699 -9.068 2.777 95 2HB LYS 16 2HB LYS 16 10.730 -7.971 3.448 96 2HG LYS 16 2HG LYS 16 10.440 -9.209 0.787 97 2HD LYS 16 2HD LYS 16 12.936 -8.620 0.280 98 2HE LYS 16 2HE LYS 16 10.633 -7.709 -0.816 99 1HZ LYS 16 1HZ LYS 16 10.192 -5.741 0.226 100 2HZ LYS 16 2HZ LYS 16 11.723 -5.491 0.723 101 H SER 17 H SER 17 6.773 -6.797 1.537 102 HA SER 17 HA SER 17 6.778 -4.824 3.520 103 2HB SER 17 2HB SER 17 5.761 -4.238 1.459 104 HG SER 17 HG SER 17 4.718 -6.830 1.599 105 H LYS 18 H LYS 18 5.653 -8.117 3.401 106 HA LYS 18 HA LYS 18 3.512 -7.847 5.242 107 2HB LYS 18 2HB LYS 18 3.547 -10.283 5.281 108 2HG LYS 18 2HG LYS 18 3.934 -10.443 2.547 109 2HD LYS 18 2HD LYS 18 1.809 -10.754 4.022 110 2HE LYS 18 2HE LYS 18 2.002 -7.857 3.948 111 1HZ LYS 18 1HZ LYS 18 -0.270 -9.074 2.514 112 2HZ LYS 18 2HZ LYS 18 -0.499 -7.702 3.363 113 H GLY 19 H GLY 19 6.810 -7.332 5.581 114 1HA GLY 19 1HA GLY 19 6.944 -8.431 8.301 115 2HA GLY 19 2HA GLY 19 8.280 -7.840 7.333 116 H CYS 20 H CYS 20 9.080 -5.852 7.856 117 HA CYS 20 HA CYS 20 7.206 -3.984 9.111 118 2HB CYS 20 2HB CYS 20 8.976 -3.213 10.601 119 HG CYS 20 HG CYS 20 7.261 -5.597 10.766 120 H ALA 21 H ALA 21 8.002 -1.642 8.845 121 HA ALA 21 HA ALA 21 8.566 -1.159 6.144 122 1HB ALA 21 1HB ALA 21 8.752 0.674 8.570 123 2HB ALA 21 2HB ALA 21 8.661 1.197 6.870 124 3HB ALA 21 3HB ALA 21 7.282 0.355 7.617 125 H LEU 22 H LEU 22 10.589 -1.287 9.109 126 HA LEU 22 HA LEU 22 12.899 -0.245 7.861 127 2HB LEU 22 2HB LEU 22 12.797 -2.039 10.281 128 HG LEU 22 HG LEU 22 14.534 -0.469 11.140 129 1HD1 LEU 22 1HD1 LEU 22 14.810 -2.626 9.324 130 2HD1 LEU 22 2HD1 LEU 22 16.041 -1.414 8.895 131 3HD1 LEU 22 3HD1 LEU 22 15.965 -2.055 10.554 132 1HD2 LEU 22 1HD2 LEU 22 15.368 0.462 8.493 133 2HD2 LEU 22 2HD2 LEU 22 13.808 1.136 9.021 134 3HD2 LEU 22 3HD2 LEU 22 15.253 1.335 10.040 135 H CYS 23 H CYS 23 12.008 -3.634 8.841 136 HA CYS 23 HA CYS 23 13.287 -4.564 6.423 137 2HB CYS 23 2HB CYS 23 15.170 -4.558 7.957 138 HG CYS 23 HG CYS 23 13.016 -4.877 9.999 139 H GLY 24 H GLY 24 12.591 -6.798 5.919 140 1HA GLY 24 1HA GLY 24 10.226 -7.620 7.499 141 2HA GLY 24 2HA GLY 24 10.307 -7.695 5.750 142 H ALA 25 H ALA 25 11.143 -9.259 8.767 143 HA ALA 25 HA ALA 25 12.597 -11.333 7.278 144 1HB ALA 25 1HB ALA 25 13.900 -11.682 9.152 145 2HB ALA 25 2HB ALA 25 13.548 -9.950 9.354 146 3HB ALA 25 3HB ALA 25 12.621 -11.160 10.273 147 H THR 26 H THR 26 9.600 -10.472 8.665 148 HA THR 26 HA THR 26 8.855 -13.315 8.785 149 HB THR 26 HB THR 26 7.939 -11.103 10.696 150 HG1 THR 26 HG1 THR 26 9.706 -11.794 11.848 151 1HG2 THR 26 1HG2 THR 26 7.754 -14.127 11.033 152 2HG2 THR 26 2HG2 THR 26 6.910 -12.865 11.960 153 3HG2 THR 26 3HG2 THR 26 6.434 -13.202 10.279 154 H TRP 27 H TRP 27 6.844 -13.863 7.951 155 HA TRP 27 HA TRP 27 5.291 -11.643 6.840 156 2HB TRP 27 2HB TRP 27 5.474 -12.264 4.705 157 HD1 TRP 27 HD1 TRP 27 8.111 -11.143 5.606 158 HE1 TRP 27 HE1 TRP 27 10.513 -12.013 4.942 159 HE3 TRP 27 HE3 TRP 27 6.632 -15.839 4.332 160 HZ2 TRP 27 HZ2 TRP 27 11.502 -14.512 3.981 161 HZ3 TRP 27 HZ3 TRP 27 8.378 -17.431 3.541 162 HH2 TRP 27 HH2 TRP 27 10.741 -16.834 3.356 163 H GLY 28 H GLY 28 3.015 -12.215 6.557 164 1HA GLY 28 1HA GLY 28 2.008 -14.788 7.169 165 2HA GLY 28 2HA GLY 28 1.950 -13.776 8.598 166 H ASP 29 H ASP 29 -0.326 -14.838 7.042 167 HA ASP 29 HA ASP 29 -1.329 -12.481 5.718 168 2HB ASP 29 2HB ASP 29 -2.095 -15.384 5.888 169 HD2 ASP 29 HD2 ASP 29 -5.232 -14.668 6.606 170 H TYR 30 H TYR 30 -1.573 -14.384 8.701 171 HA TYR 30 HA TYR 30 -4.077 -13.734 9.618 172 2HB TYR 30 2HB TYR 30 -1.687 -13.580 11.470 173 HD1 TYR 30 HD1 TYR 30 -2.335 -14.070 13.641 174 HD2 TYR 30 HD2 TYR 30 -4.547 -15.773 10.399 175 HE1 TYR 30 HE1 TYR 30 -3.960 -15.119 15.292 176 HE2 TYR 30 HE2 TYR 30 -6.165 -16.815 12.061 177 HH TYR 30 HH TYR 30 -6.563 -17.238 14.158 178 H HIS 31 H HIS 31 -1.367 -11.624 9.028 179 HA HIS 31 HA HIS 31 -2.612 -9.584 10.717 180 2HB HIS 31 2HB HIS 31 -0.573 -8.775 11.222 181 HD1 HIS 31 HD1 HIS 31 1.494 -11.073 9.183 182 HD2 HIS 31 HD2 HIS 31 -0.427 -11.144 12.912 183 HE1 HIS 31 HE1 HIS 31 2.492 -13.041 10.464 184 H ALA 32 H ALA 32 -1.920 -7.244 9.630 185 HA ALA 32 HA ALA 32 -2.731 -7.443 6.812 186 1HB ALA 32 1HB ALA 32 -4.692 -6.588 7.607 187 2HB ALA 32 2HB ALA 32 -3.945 -5.984 9.106 188 3HB ALA 32 3HB ALA 32 -3.784 -5.057 7.594 189 H ASP 33 H ASP 33 -2.218 -5.281 5.634 190 HA ASP 33 HA ASP 33 0.383 -4.412 6.624 191 2HB ASP 33 2HB ASP 33 -0.392 -3.957 3.764 192 HD2 ASP 33 HD2 ASP 33 2.141 -5.250 5.922 193 H PHE 34 H PHE 34 0.931 -2.065 5.821 194 HA PHE 34 HA PHE 34 -1.529 -0.464 5.896 195 2HB PHE 34 2HB PHE 34 0.461 1.223 6.721 196 HD1 PHE 34 HD1 PHE 34 -1.718 -1.498 7.679 197 HD2 PHE 34 HD2 PHE 34 0.590 1.745 9.155 198 HE1 PHE 34 HE1 PHE 34 -2.982 -1.584 9.846 199 HE2 PHE 34 HE2 PHE 34 -0.676 1.659 11.321 200 HZ PHE 34 HZ PHE 34 -2.447 -0.004 11.640 201 H LEU 35 H LEU 35 -0.815 1.967 5.110 202 HA LEU 35 HA LEU 35 -0.491 1.749 2.369 203 2HB LEU 35 2HB LEU 35 0.204 4.315 2.853 204 HG LEU 35 HG LEU 35 -2.484 2.994 2.809 205 1HD1 LEU 35 1HD1 LEU 35 -3.018 4.615 4.402 206 2HD1 LEU 35 2HD1 LEU 35 -1.944 5.831 3.668 207 3HD1 LEU 35 3HD1 LEU 35 -3.459 5.373 2.853 208 1HD2 LEU 35 1HD2 LEU 35 -2.674 3.864 0.703 209 2HD2 LEU 35 2HD2 LEU 35 -1.660 5.280 1.068 210 3HD2 LEU 35 3HD2 LEU 35 -0.906 3.688 0.805 211 H GLY 36 H GLY 36 1.869 1.937 5.002 212 1HA GLY 36 1HA GLY 36 4.071 2.535 3.206 213 2HA GLY 36 2HA GLY 36 4.138 2.270 4.937 214 H GLU 37 H GLU 37 2.378 0.017 2.817 215 HA GLU 37 HA GLU 37 2.595 -2.200 2.831 216 2HB GLU 37 2HB GLU 37 3.564 -1.400 0.700 217 2HG GLU 37 2HG GLU 37 5.962 -1.052 2.440 218 HE2 GLU 37 HE2 GLU 37 7.905 -1.630 1.877 219 H ASP 38 H ASP 38 3.092 -1.781 5.383 220 HA ASP 38 HA ASP 38 5.397 -3.462 5.871 221 2HB ASP 38 2HB ASP 38 6.237 -1.229 6.344 222 HD2 ASP 38 HD2 ASP 38 4.935 1.316 8.056 223 H LEU 39 H LEU 39 5.157 -4.691 7.927 224 HA LEU 39 HA LEU 39 2.372 -4.717 8.845 225 2HB LEU 39 2HB LEU 39 4.231 -6.974 9.382 226 HG LEU 39 HG LEU 39 1.483 -7.197 8.191 227 1HD1 LEU 39 1HD1 LEU 39 1.989 -9.138 10.177 228 2HD1 LEU 39 2HD1 LEU 39 1.940 -9.354 8.411 229 3HD1 LEU 39 3HD1 LEU 39 3.482 -8.986 9.220 230 1HD2 LEU 39 1HD2 LEU 39 2.102 -6.652 11.104 231 2HD2 LEU 39 2HD2 LEU 39 1.064 -5.706 10.009 232 3HD2 LEU 39 3HD2 LEU 39 0.566 -7.336 10.519 233 H PHE 40 H PHE 40 1.963 -3.901 10.824 234 HA PHE 40 HA PHE 40 4.261 -3.591 12.610 235 2HB PHE 40 2HB PHE 40 2.702 -1.655 11.736 236 HD1 PHE 40 HD1 PHE 40 0.506 -2.449 10.881 237 HD2 PHE 40 HD2 PHE 40 1.291 -2.109 15.037 238 HE1 PHE 40 HE1 PHE 40 -1.958 -2.523 11.352 239 HE2 PHE 40 HE2 PHE 40 -1.174 -2.182 15.508 240 HZ PHE 40 HZ PHE 40 -2.769 -2.389 13.660 241 H PHE 41 H PHE 41 1.227 -5.275 12.129 242 HA PHE 41 HA PHE 41 0.610 -5.730 14.837 243 2HB PHE 41 2HB PHE 41 -0.118 -7.870 12.936 244 HD1 PHE 41 HD1 PHE 41 -1.314 -4.622 14.341 245 HD2 PHE 41 HD2 PHE 41 -2.188 -8.695 13.534 246 HE1 PHE 41 HE1 PHE 41 -3.513 -4.386 15.529 247 HE2 PHE 41 HE2 PHE 41 -4.386 -8.459 14.722 248 HZ PHE 41 HZ PHE 41 -5.022 -6.307 15.706 249 H CYS 42 H CYS 42 3.355 -6.615 13.178 250 HA CYS 42 HA CYS 42 3.493 -9.239 14.449 251 2HB CYS 42 2HB CYS 42 4.056 -9.493 12.189 252 HG CYS 42 HG CYS 42 5.415 -8.080 10.624 253 H CYS 43 H CYS 43 5.355 -6.159 13.917 254 HA CYS 43 HA CYS 43 6.795 -6.761 16.394 255 2HB CYS 43 2HB CYS 43 8.415 -4.973 15.481 256 HG CYS 43 HG CYS 43 9.296 -6.771 13.387 257 H ASP 44 H ASP 44 5.561 -3.967 14.399 258 HA ASP 44 HA ASP 44 4.423 -2.196 14.942 259 2HB ASP 44 2HB ASP 44 3.307 -3.970 16.623 260 HD2 ASP 44 HD2 ASP 44 3.239 -4.476 18.883 261 H ILE 45 H ILE 45 7.397 -2.894 15.789 262 HA ILE 45 HA ILE 45 7.753 -0.741 17.744 263 HB ILE 45 HB ILE 45 9.456 -3.104 16.970 264 2HG1 ILE 45 2HG1 ILE 45 9.159 -3.789 19.265 265 1HG2 ILE 45 1HG2 ILE 45 11.017 -1.332 17.205 266 2HG2 ILE 45 2HG2 ILE 45 10.180 -0.687 18.637 267 3HG2 ILE 45 3HG2 ILE 45 11.041 -2.242 18.735 268 1HD1 ILE 45 1HD1 ILE 45 7.816 -2.557 20.854 269 2HD1 ILE 45 2HD1 ILE 45 9.013 -1.415 20.197 270 3HD1 ILE 45 3HD1 ILE 45 7.332 -1.374 19.615 271 H CYS 46 H CYS 46 9.446 -2.130 14.836 272 HA CYS 46 HA CYS 46 10.429 0.536 14.272 273 2HB CYS 46 2HB CYS 46 11.934 -1.493 14.214 274 HG CYS 46 HG CYS 46 10.974 -3.496 13.295 275 H ALA 47 H ALA 47 7.764 -1.507 13.583 276 HA ALA 47 HA ALA 47 7.359 -0.333 10.934 277 1HB ALA 47 1HB ALA 47 6.254 -2.726 12.417 278 2HB ALA 47 2HB ALA 47 5.405 -2.055 11.004 279 3HB ALA 47 3HB ALA 47 7.070 -2.665 10.836 280 H ALA 48 H ALA 48 4.922 0.222 10.501 281 HA ALA 48 HA ALA 48 3.109 1.409 10.981 282 1HB ALA 48 1HB ALA 48 3.746 0.132 13.522 283 2HB ALA 48 2HB ALA 48 3.020 1.738 13.774 284 3HB ALA 48 3HB ALA 48 2.158 0.513 12.814 285 H GLU 49 H GLU 49 4.866 2.933 9.968 286 HA GLU 49 HA GLU 49 5.805 4.882 11.858 287 2HB GLU 49 2HB GLU 49 7.438 5.166 10.327 288 2HG GLU 49 2HG GLU 49 5.861 3.383 8.421 289 HE2 GLU 49 HE2 GLU 49 8.868 4.665 6.905 290 H PHE 50 H PHE 50 5.128 7.078 11.946 291 HA PHE 50 HA PHE 50 2.422 7.479 11.151 292 2HB PHE 50 2HB PHE 50 3.723 8.313 13.254 293 HD1 PHE 50 HD1 PHE 50 3.668 11.387 11.299 294 HD2 PHE 50 HD2 PHE 50 6.164 8.442 13.064 295 HE1 PHE 50 HE1 PHE 50 5.645 12.915 11.055 296 HE2 PHE 50 HE2 PHE 50 8.139 9.970 12.821 297 HZ PHE 50 HZ PHE 50 7.857 12.188 11.819 298 H MET 51 H MET 51 5.181 7.496 9.329 299 HA MET 51 HA MET 51 5.121 9.957 8.068 300 2HB MET 51 2HB MET 51 6.406 8.751 6.279 301 2HG MET 51 2HG MET 51 7.404 7.254 8.642 302 1HE MET 51 1HE MET 51 10.322 7.494 8.755 303 2HE MET 51 2HE MET 51 9.226 6.360 7.929 304 3HE MET 51 3HE MET 51 10.607 7.059 7.052 305 H ASN 52 H ASN 52 2.856 7.347 7.995 306 HA ASN 52 HA ASN 52 1.853 8.231 5.416 307 2HB ASN 52 2HB ASN 52 0.264 6.073 6.294 308 1HD2 ASN 52 1HD2 ASN 52 0.369 7.065 3.981 309 2HD2 ASN 52 2HD2 ASN 52 1.287 6.166 2.820 310 H MET 53 H MET 53 -0.843 7.732 5.564 311 HA MET 53 HA MET 53 -1.683 9.675 7.498 312 2HB MET 53 2HB MET 53 -3.691 8.253 5.780 313 2HG MET 53 2HG MET 53 -3.710 10.621 7.120 314 1HE MET 53 1HE MET 53 -0.510 12.303 5.567 315 2HE MET 53 2HE MET 53 -1.298 11.737 7.059 316 3HE MET 53 3HE MET 53 -0.778 10.563 5.826 317 H MET 54 H MET 54 -3.811 9.271 8.733 318 HA MET 54 HA MET 54 -3.441 7.028 10.339 319 2HB MET 54 2HB MET 54 -5.608 7.792 11.375 320 2HG MET 54 2HG MET 54 -4.968 10.201 11.780 321 1HE MET 54 1HE MET 54 -4.655 9.341 14.192 322 2HE MET 54 2HE MET 54 -2.960 9.406 14.729 323 3HE MET 54 3HE MET 54 -3.633 10.729 13.748 324 H ASP 55 H ASP 55 -5.804 7.790 7.711 325 HA ASP 55 HA ASP 55 -7.530 5.782 7.943 326 2HB ASP 55 2HB ASP 55 -7.901 7.220 6.123 327 HD2 ASP 55 HD2 ASP 55 -4.271 6.838 4.507 328 H GLU 56 H GLU 56 -4.131 5.661 6.807 329 HA GLU 56 HA GLU 56 -4.009 3.322 5.516 330 2HB GLU 56 2HB GLU 56 -2.152 5.045 6.259 331 2HG GLU 56 2HG GLU 56 -1.901 2.835 8.354 332 HE2 GLU 56 HE2 GLU 56 -0.478 4.461 9.881 333 H ALA 57 H ALA 57 -4.294 3.836 9.058 334 HA ALA 57 HA ALA 57 -3.825 1.166 9.795 335 1HB ALA 57 1HB ALA 57 -5.320 3.464 11.115 336 2HB ALA 57 2HB ALA 57 -4.980 1.912 11.917 337 3HB ALA 57 3HB ALA 57 -3.637 2.960 11.400 338 H PHE 58 H PHE 58 -6.888 3.051 9.277 339 HA PHE 58 HA PHE 58 -8.656 1.032 9.807 340 2HB PHE 58 2HB PHE 58 -9.466 2.611 7.482 341 HD1 PHE 58 HD1 PHE 58 -10.174 5.083 9.370 342 HD2 PHE 58 HD2 PHE 58 -10.772 0.888 9.585 343 HE1 PHE 58 HE1 PHE 58 -12.187 5.444 10.825 344 HE2 PHE 58 HE2 PHE 58 -12.785 1.249 11.040 345 HZ PHE 58 HZ PHE 58 -13.468 3.523 11.643 346 H LYS 59 H LYS 59 -6.829 1.723 6.783 347 HA LYS 59 HA LYS 59 -8.134 0.138 5.014 348 2HB LYS 59 2HB LYS 59 -5.123 0.180 5.142 349 2HG LYS 59 2HG LYS 59 -7.218 -0.345 3.153 350 2HD LYS 59 2HD LYS 59 -5.972 2.190 2.879 351 2HE LYS 59 2HE LYS 59 -3.888 1.217 2.106 352 1HZ LYS 59 1HZ LYS 59 -4.380 -0.277 -0.062 353 2HZ LYS 59 2HZ LYS 59 -4.153 -0.922 1.417 354 H HIS 60 H HIS 60 -5.792 -0.864 7.566 355 HA HIS 60 HA HIS 60 -5.462 -3.469 6.867 356 2HB HIS 60 2HB HIS 60 -4.765 -1.872 8.984 357 HD1 HIS 60 HD1 HIS 60 -6.184 -5.289 9.963 358 HD2 HIS 60 HD2 HIS 60 -6.274 -1.283 11.202 359 HE1 HIS 60 HE1 HIS 60 -7.450 -5.255 12.178 360 H THR 61 H THR 61 -8.128 -2.033 8.862 361 HA THR 61 HA THR 61 -9.471 -4.439 9.324 362 HB THR 61 HB THR 61 -10.268 -1.493 9.237 363 HG1 THR 61 HG1 THR 61 -9.415 -1.801 11.253 364 1HG2 THR 61 1HG2 THR 61 -12.457 -2.221 9.209 365 2HG2 THR 61 2HG2 THR 61 -11.984 -3.915 9.488 366 3HG2 THR 61 3HG2 THR 61 -12.113 -2.789 10.861 367 H ALA 62 H ALA 62 -9.462 -2.231 6.522 368 HA ALA 62 HA ALA 62 -11.725 -3.473 5.314 369 1HB ALA 62 1HB ALA 62 -10.782 -1.089 4.985 370 2HB ALA 62 2HB ALA 62 -9.581 -1.850 3.916 371 3HB ALA 62 3HB ALA 62 -11.315 -1.969 3.533 372 H ARG 63 H ARG 63 -8.136 -3.578 4.761 373 HA ARG 63 HA ARG 63 -8.319 -5.487 2.760 374 2HB ARG 63 2HB ARG 63 -5.988 -4.957 4.673 375 2HG ARG 63 2HG ARG 63 -5.297 -5.529 1.904 376 2HD ARG 63 2HD ARG 63 -3.969 -5.762 4.176 377 HE ARG 63 HE ARG 63 -5.728 -7.552 4.974 378 1HH1 ARG 63 1HH1 ARG 63 -2.622 -8.284 3.432 379 2HH1 ARG 63 2HH1 ARG 63 -2.460 -9.825 4.205 380 2HH2 ARG 63 2HH2 ARG 63 -4.172 -10.570 5.708 381 H HIS 64 H HIS 64 -9.284 -5.800 5.907 382 HA HIS 64 HA HIS 64 -8.061 -8.291 6.555 383 2HB HIS 64 2HB HIS 64 -10.470 -6.919 7.780 384 HD1 HIS 64 HD1 HIS 64 -11.360 -9.449 8.250 385 HD2 HIS 64 HD2 HIS 64 -7.764 -8.349 10.109 386 HE1 HIS 64 HE1 HIS 64 -10.970 -11.148 10.113 387 H ASN 65 H ASN 65 -11.468 -7.294 5.748 388 HA ASN 65 HA ASN 65 -11.822 -10.024 4.790 389 2HB ASN 65 2HB ASN 65 -14.023 -8.063 5.607 390 1HD2 ASN 65 1HD2 ASN 65 -15.193 -8.880 3.830 391 2HD2 ASN 65 2HD2 ASN 65 -15.904 -10.460 3.847 392 H VAL 66 H VAL 66 -12.715 -6.530 4.329 393 HA VAL 66 HA VAL 66 -13.492 -7.108 1.580 394 HB VAL 66 HB VAL 66 -14.479 -4.934 1.594 395 1HG1 VAL 66 1HG1 VAL 66 -16.251 -5.702 2.713 396 2HG1 VAL 66 2HG1 VAL 66 -15.218 -6.999 3.362 397 3HG1 VAL 66 3HG1 VAL 66 -15.423 -5.485 4.274 398 1HG2 VAL 66 1HG2 VAL 66 -13.511 -3.264 2.713 399 2HG2 VAL 66 2HG2 VAL 66 -14.174 -3.949 4.216 400 3HG2 VAL 66 3HG2 VAL 66 -12.541 -4.404 3.676 401 H ASP 67 H ASP 67 -12.836 -4.305 0.757 402 HA ASP 67 HA ASP 67 -9.945 -4.404 0.881 403 2HB ASP 67 2HB ASP 67 -10.723 -5.576 -1.219 404 HD2 ASP 67 HD2 ASP 67 -11.952 -2.828 -3.618 405 H GLU 68 H GLU 68 -9.020 -2.270 0.789 406 HA GLU 68 HA GLU 68 -10.890 -0.121 0.220 407 2HB GLU 68 2HB GLU 68 -9.158 -0.395 2.710 408 2HG GLU 68 2HG GLU 68 -10.733 2.034 1.730 409 HE2 GLU 68 HE2 GLU 68 -11.724 1.725 3.732 410 H LEU 69 H LEU 69 -9.953 1.699 -0.797 411 HA LEU 69 HA LEU 69 -7.050 1.622 -1.129 412 2HB LEU 69 2HB LEU 69 -8.527 2.397 -3.539 413 HG LEU 69 HG LEU 69 -6.263 0.451 -3.019 414 1HD1 LEU 69 1HD1 LEU 69 -6.906 -0.531 -4.925 415 2HD1 LEU 69 2HD1 LEU 69 -7.986 0.811 -5.373 416 3HD1 LEU 69 3HD1 LEU 69 -6.243 0.918 -5.717 417 1HD2 LEU 69 1HD2 LEU 69 -6.375 3.305 -3.442 418 2HD2 LEU 69 2HD2 LEU 69 -4.984 2.263 -3.057 419 3HD2 LEU 69 3HD2 LEU 69 -5.466 2.514 -4.752 420 H HIS 70 H HIS 70 -6.109 3.592 -0.843 421 HA HIS 70 HA HIS 70 -7.743 5.945 -1.257 422 2HB HIS 70 2HB HIS 70 -6.284 5.611 1.363 423 HD1 HIS 70 HD1 HIS 70 -9.415 6.812 2.223 424 HD2 HIS 70 HD2 HIS 70 -6.241 8.547 0.098 425 HE1 HIS 70 HE1 HIS 70 -9.749 9.337 2.374 426 H ILE 71 H ILE 71 -6.530 7.748 -1.898 427 HA ILE 71 HA ILE 71 -3.625 7.426 -1.811 428 HB ILE 71 HB ILE 71 -3.302 7.619 -4.038 429 2HG1 ILE 71 2HG1 ILE 71 -4.592 9.791 -4.141 430 1HG2 ILE 71 1HG2 ILE 71 -6.060 6.363 -3.974 431 2HG2 ILE 71 2HG2 ILE 71 -4.851 6.188 -5.268 432 3HG2 ILE 71 3HG2 ILE 71 -4.520 5.531 -3.647 433 1HD1 ILE 71 1HD1 ILE 71 -4.535 7.737 -6.364 434 2HD1 ILE 71 2HD1 ILE 71 -5.295 9.323 -6.642 435 3HD1 ILE 71 3HD1 ILE 71 -3.576 9.228 -6.186 436 H ASP 72 H ASP 72 -2.587 9.253 -1.153 437 HA ASP 72 HA ASP 72 -3.994 11.754 -1.484 438 2HB ASP 72 2HB ASP 72 -2.715 11.727 1.120 439 HD2 ASP 72 HD2 ASP 72 -4.012 13.504 -0.245 440 H GLY 73 H GLY 73 -2.497 13.516 -1.748 441 1HA GLY 73 1HA GLY 73 0.359 12.882 -1.355 442 2HA GLY 73 2HA GLY 73 -0.222 13.512 -2.884 443 H ASN 74 H ASN 74 1.438 14.494 -0.297 444 HA ASN 74 HA ASN 74 0.380 17.171 -0.539 445 2HB ASN 74 2HB ASN 74 1.080 17.133 2.142 446 1HD2 ASN 74 1HD2 ASN 74 -0.420 18.281 3.108 447 2HD2 ASN 74 2HD2 ASN 74 -2.078 18.438 2.634 448 H TYR 75 H TYR 75 2.097 18.711 -0.530 449 HA TYR 75 HA TYR 75 4.721 17.716 -0.833 450 2HB TYR 75 2HB TYR 75 4.084 20.593 -0.111 451 HD1 TYR 75 HD1 TYR 75 5.274 18.259 -2.796 452 HD2 TYR 75 HD2 TYR 75 5.697 22.074 -0.907 453 HE1 TYR 75 HE1 TYR 75 7.312 18.753 -4.234 454 HE2 TYR 75 HE2 TYR 75 7.734 22.555 -2.351 455 HH TYR 75 HH TYR 75 8.398 21.270 -5.012 456 H GLN 76 H GLN 76 2.848 18.241 1.961 457 HA GLN 76 HA GLN 76 5.255 18.807 3.504 458 2HB GLN 76 2HB GLN 76 2.359 19.109 4.405 459 2HG GLN 76 2HG GLN 76 4.827 20.489 5.515 460 1HE2 GLN 76 1HE2 GLN 76 1.957 18.677 6.589 461 2HE2 GLN 76 2HE2 GLN 76 1.242 19.937 7.540 462 H LEU 77 H LEU 77 3.018 16.375 2.578 463 HA LEU 77 HA LEU 77 2.567 14.878 4.788 464 2HB LEU 77 2HB LEU 77 3.447 13.406 2.375 465 HG LEU 77 HG LEU 77 1.802 11.982 2.867 466 1HD1 LEU 77 1HD1 LEU 77 1.375 11.692 5.110 467 2HD1 LEU 77 2HD1 LEU 77 2.788 12.774 5.160 468 3HD1 LEU 77 3HD1 LEU 77 1.154 13.433 5.410 469 1HD2 LEU 77 1HD2 LEU 77 -0.513 12.582 3.240 470 2HD2 LEU 77 2HD2 LEU 77 -0.064 14.283 3.509 471 3HD2 LEU 77 3HD2 LEU 77 0.152 13.549 1.902 472 H GLY 78 H GLY 78 5.580 14.961 2.787 473 1HA GLY 78 1HA GLY 78 7.454 14.824 4.669 474 2HA GLY 78 2HA GLY 78 6.908 13.159 4.644 475 H ARG 79 H ARG 79 6.150 13.606 1.635 476 HA ARG 79 HA ARG 79 7.140 13.684 -0.337 477 2HB ARG 79 2HB ARG 79 9.910 13.600 0.941 478 2HG ARG 79 2HG ARG 79 9.663 13.248 -1.559 479 2HD ARG 79 2HD ARG 79 9.144 16.114 -2.054 480 HE ARG 79 HE ARG 79 8.431 13.519 -3.282 481 1HH1 ARG 79 1HH1 ARG 79 8.150 17.048 -3.437 482 2HH1 ARG 79 2HH1 ARG 79 7.708 17.063 -5.111 483 2HH2 ARG 79 2HH2 ARG 79 7.537 14.989 -6.299 484 H ASN 80 H ASN 80 6.137 11.386 0.630 485 HA ASN 80 HA ASN 80 8.224 9.429 0.066 486 2HB ASN 80 2HB ASN 80 5.849 9.283 1.985 487 1HD2 ASN 80 1HD2 ASN 80 8.239 7.240 2.840 488 2HD2 ASN 80 2HD2 ASN 80 7.672 5.741 2.183 489 H VAL 81 H VAL 81 7.783 8.333 -1.854 490 HA VAL 81 HA VAL 81 4.967 8.218 -2.690 491 HB VAL 81 HB VAL 81 5.893 9.528 -4.302 492 1HG1 VAL 81 1HG1 VAL 81 8.155 9.564 -3.318 493 2HG1 VAL 81 2HG1 VAL 81 8.511 8.001 -4.093 494 3HG1 VAL 81 3HG1 VAL 81 8.204 9.442 -5.093 495 1HG2 VAL 81 1HG2 VAL 81 6.032 8.302 -6.285 496 2HG2 VAL 81 2HG2 VAL 81 6.865 6.938 -5.502 497 3HG2 VAL 81 3HG2 VAL 81 5.132 7.213 -5.202 498 H LEU 82 H LEU 82 4.167 6.221 -2.282 499 HA LEU 82 HA LEU 82 5.966 3.963 -2.835 500 2HB LEU 82 2HB LEU 82 4.343 2.822 -1.122 501 HG LEU 82 HG LEU 82 6.157 4.729 0.284 502 1HD1 LEU 82 1HD1 LEU 82 5.807 1.724 0.472 503 2HD1 LEU 82 2HD1 LEU 82 6.729 2.767 1.582 504 3HD1 LEU 82 3HD1 LEU 82 4.959 2.926 1.475 505 1HD2 LEU 82 1HD2 LEU 82 7.111 2.656 -1.700 506 2HD2 LEU 82 2HD2 LEU 82 7.499 4.393 -1.641 507 3HD2 LEU 82 3HD2 LEU 82 8.126 3.297 -0.386 508 H LEU 83 H LEU 83 5.357 2.775 -4.556 509 HA LEU 83 HA LEU 83 2.510 2.877 -5.273 510 2HB LEU 83 2HB LEU 83 5.006 3.021 -6.898 511 HG LEU 83 HG LEU 83 3.403 2.725 -8.924 512 1HD1 LEU 83 1HD1 LEU 83 5.394 1.200 -7.850 513 2HD1 LEU 83 2HD1 LEU 83 4.050 0.034 -7.916 514 3HD1 LEU 83 3HD1 LEU 83 4.575 0.873 -9.397 515 1HD2 LEU 83 1HD2 LEU 83 2.063 0.484 -7.679 516 2HD2 LEU 83 2HD2 LEU 83 1.629 2.013 -6.875 517 3HD2 LEU 83 3HD2 LEU 83 1.392 1.831 -8.630 518 H LYS 84 H LYS 84 1.472 1.022 -4.807 519 HA LYS 84 HA LYS 84 3.021 -1.455 -5.114 520 2HB LYS 84 2HB LYS 84 1.076 -0.688 -2.924 521 2HG LYS 84 2HG LYS 84 1.251 -3.213 -4.112 522 2HD LYS 84 2HD LYS 84 3.169 -2.986 -1.758 523 2HE LYS 84 2HE LYS 84 2.700 -5.714 -2.673 524 1HZ LYS 84 1HZ LYS 84 3.598 -5.594 -0.582 525 2HZ LYS 84 2HZ LYS 84 2.815 -4.229 -0.161 526 H ASN 85 H ASN 85 2.238 -2.726 -6.700 527 HA ASN 85 HA ASN 85 -0.566 -2.314 -7.382 528 2HB ASN 85 2HB ASN 85 0.079 -3.165 -9.668 529 1HD2 ASN 85 1HD2 ASN 85 2.939 -1.820 -9.965 530 2HD2 ASN 85 2HD2 ASN 85 2.566 -0.135 -10.103 531 H GLY 86 H GLY 86 -1.842 -4.074 -6.794 532 1HA GLY 86 1HA GLY 86 -0.521 -6.714 -6.600 533 2HA GLY 86 2HA GLY 86 -1.832 -6.168 -5.573 534 H GLU 87 H GLU 87 -1.128 -8.132 -8.169 535 HA GLU 87 HA GLU 87 -3.799 -7.738 -9.279 536 2HB GLU 87 2HB GLU 87 -2.977 -8.594 -11.404 537 2HG GLU 87 2HG GLU 87 -1.497 -6.373 -10.045 538 HE2 GLU 87 HE2 GLU 87 0.496 -7.763 -10.368 539 H ASP 88 H ASP 88 -5.216 -9.315 -8.681 540 HA ASP 88 HA ASP 88 -4.101 -11.985 -8.361 541 2HB ASP 88 2HB ASP 88 -6.431 -11.069 -6.668 542 HD2 ASP 88 HD2 ASP 88 -6.238 -14.083 -5.393 543 H ARG 89 H ARG 89 -5.113 -13.252 -9.925 544 HA ARG 89 HA ARG 89 -7.961 -13.020 -10.165 545 2HB ARG 89 2HB ARG 89 -7.213 -11.448 -11.901 546 2HG ARG 89 2HG ARG 89 -5.221 -13.618 -12.415 547 2HD ARG 89 2HD ARG 89 -5.063 -12.416 -14.826 548 HE ARG 89 HE ARG 89 -7.052 -14.597 -14.705 549 1HH1 ARG 89 1HH1 ARG 89 -3.619 -13.722 -14.717 550 2HH1 ARG 89 2HH1 ARG 89 -3.091 -15.301 -15.195 551 2HH2 ARG 89 2HH2 ARG 89 -4.718 -17.024 -15.554 552 H LEU 90 H LEU 90 -8.924 -14.962 -11.158 553 HA LEU 90 HA LEU 90 -7.026 -17.108 -11.719 554 2HB LEU 90 2HB LEU 90 -8.315 -18.655 -10.316 555 HG LEU 90 HG LEU 90 -6.965 -16.313 -9.028 556 1HD1 LEU 90 1HD1 LEU 90 -7.778 -16.598 -6.971 557 2HD1 LEU 90 2HD1 LEU 90 -9.118 -17.478 -7.745 558 3HD1 LEU 90 3HD1 LEU 90 -7.722 -18.373 -7.097 559 1HD2 LEU 90 1HD2 LEU 90 -5.504 -17.967 -9.892 560 2HD2 LEU 90 2HD2 LEU 90 -5.536 -18.195 -8.126 561 3HD2 LEU 90 3HD2 LEU 90 -6.460 -19.291 -9.183 562 H ARG 91 H ARG 91 -7.814 -18.682 -13.192 563 HA ARG 91 HA ARG 91 -9.390 -17.777 -15.157 564 2HB ARG 91 2HB ARG 91 -9.050 -20.672 -14.225 565 2HG ARG 91 2HG ARG 91 -9.441 -19.985 -17.111 566 2HD ARG 91 2HD ARG 91 -9.466 -22.309 -15.430 567 HE ARG 91 HE ARG 91 -12.160 -21.466 -16.078 568 1HH1 ARG 91 1HH1 ARG 91 -10.089 -24.337 -15.925 569 2HH1 ARG 91 2HH1 ARG 91 -11.411 -25.430 -15.679 570 2HH2 ARG 91 2HH2 ARG 91 -13.645 -24.567 -15.583 571 H PHE 92 H PHE 92 -10.351 -19.341 -12.095 572 HA PHE 92 HA PHE 92 -12.936 -20.073 -12.734 573 2HB PHE 92 2HB PHE 92 -12.486 -18.836 -10.053 574 HD1 PHE 92 HD1 PHE 92 -14.878 -19.735 -10.094 575 HD2 PHE 92 HD2 PHE 92 -11.464 -22.249 -10.305 576 HE1 PHE 92 HE1 PHE 92 -16.273 -21.691 -9.370 577 HE2 PHE 92 HE2 PHE 92 -12.860 -24.204 -9.580 578 HZ PHE 92 HZ PHE 92 -15.249 -23.902 -9.121 579 H TYR 93 H TYR 93 -11.525 -16.880 -12.032 580 HA TYR 93 HA TYR 93 -14.147 -15.678 -11.753 581 2HB TYR 93 2HB TYR 93 -11.979 -13.794 -12.054 582 HD1 TYR 93 HD1 TYR 93 -11.939 -12.176 -10.312 583 HD2 TYR 93 HD2 TYR 93 -13.819 -15.963 -9.655 584 HE1 TYR 93 HE1 TYR 93 -12.932 -11.314 -8.136 585 HE2 TYR 93 HE2 TYR 93 -14.805 -15.089 -7.481 586 HH TYR 93 HH TYR 93 -14.923 -13.440 -6.096 587 H VAL 94 H VAL 94 -14.893 -13.922 -13.138 588 HA VAL 94 HA VAL 94 -13.824 -14.195 -15.861 589 HB VAL 94 HB VAL 94 -16.597 -13.752 -14.778 590 1HG1 VAL 94 1HG1 VAL 94 -15.779 -13.409 -17.680 591 2HG1 VAL 94 2HG1 VAL 94 -17.406 -13.220 -16.985 592 3HG1 VAL 94 3HG1 VAL 94 -16.118 -12.064 -16.565 593 1HG2 VAL 94 1HG2 VAL 94 -16.969 -15.595 -16.605 594 2HG2 VAL 94 2HG2 VAL 94 -15.214 -15.839 -16.443 595 3HG2 VAL 94 3HG2 VAL 94 -16.273 -16.033 -15.026 596 H LYS 95 H LYS 95 -14.318 -12.128 -13.112 597 HA LYS 95 HA LYS 95 -14.283 -9.699 -14.658 598 2HB LYS 95 2HB LYS 95 -14.457 -10.406 -11.745 599 2HG LYS 95 2HG LYS 95 -13.709 -7.715 -12.963 600 2HD LYS 95 2HD LYS 95 -14.082 -7.244 -10.270 601 2HE LYS 95 2HE LYS 95 -15.941 -6.844 -12.648 602 1HZ LYS 95 1HZ LYS 95 -16.253 -5.565 -9.991 603 2HZ LYS 95 2HZ LYS 95 -17.263 -5.451 -11.264 604 H PHE 96 H PHE 96 -12.018 -11.901 -13.065 605 HA PHE 96 HA PHE 96 -9.831 -11.751 -12.659 606 2HB PHE 96 2HB PHE 96 -9.782 -12.296 -15.024 607 HD1 PHE 96 HD1 PHE 96 -11.798 -11.997 -16.283 608 HD2 PHE 96 HD2 PHE 96 -9.196 -8.712 -15.613 609 HE1 PHE 96 HE1 PHE 96 -13.027 -10.669 -18.021 610 HE2 PHE 96 HE2 PHE 96 -10.426 -7.385 -17.352 611 HZ PHE 96 HZ PHE 96 -12.327 -8.378 -18.535 612 H GLY 97 H GLY 97 -11.067 -9.588 -11.379 613 1HA GLY 97 1HA GLY 97 -10.478 -7.037 -11.851 614 2HA GLY 97 2HA GLY 97 -10.293 -7.760 -10.266 615 HA PRO 98 HA PRO 98 -6.089 -7.228 -12.448 616 2HB PRO 98 2HB PRO 98 -6.177 -6.466 -14.619 617 2HG PRO 98 2HG PRO 98 -8.216 -5.589 -15.250 618 2HD PRO 98 2HD PRO 98 -9.599 -6.663 -13.760 619 H GLY 99 H GLY 99 -4.194 -5.671 -12.050 620 1HA GLY 99 1HA GLY 99 -4.975 -3.883 -9.831 621 2HA GLY 99 2HA GLY 99 -3.672 -5.042 -9.658 622 H ALA 100 H ALA 100 -4.788 -2.172 -11.522 623 HA ALA 100 HA ALA 100 -1.957 -1.581 -12.048 624 1HB ALA 100 1HB ALA 100 -3.140 -2.283 -14.107 625 2HB ALA 100 2HB ALA 100 -4.360 -1.017 -13.831 626 3HB ALA 100 3HB ALA 100 -2.673 -0.567 -14.175 627 H VAL 101 H VAL 101 -1.543 0.816 -12.287 628 HA VAL 101 HA VAL 101 -2.593 2.163 -10.071 629 HB VAL 101 HB VAL 101 -1.029 3.080 -12.487 630 1HG1 VAL 101 1HG1 VAL 101 -2.331 4.938 -11.398 631 2HG1 VAL 101 2HG1 VAL 101 -1.429 4.611 -9.899 632 3HG1 VAL 101 3HG1 VAL 101 -0.564 5.146 -11.359 633 1HG2 VAL 101 1HG2 VAL 101 0.850 3.129 -10.806 634 2HG2 VAL 101 2HG2 VAL 101 -0.240 2.306 -9.663 635 3HG2 VAL 101 3HG2 VAL 101 0.222 1.507 -11.184 636 H ILE 102 H ILE 102 -3.491 2.051 -13.528 637 HA ILE 102 HA ILE 102 -5.002 4.280 -13.793 638 HB ILE 102 HB ILE 102 -5.500 1.484 -14.811 639 2HG1 ILE 102 2HG1 ILE 102 -4.413 2.271 -16.838 640 1HG2 ILE 102 1HG2 ILE 102 -6.628 3.248 -16.624 641 2HG2 ILE 102 2HG2 ILE 102 -7.500 2.201 -15.480 642 3HG2 ILE 102 3HG2 ILE 102 -7.137 3.887 -15.043 643 1HD1 ILE 102 1HD1 ILE 102 -3.789 4.447 -17.238 644 2HD1 ILE 102 2HD1 ILE 102 -5.081 4.807 -16.068 645 3HD1 ILE 102 3HD1 ILE 102 -3.386 4.750 -15.531 646 H LYS 103 H LYS 103 -6.140 1.099 -12.455 647 HA LYS 103 HA LYS 103 -8.672 2.100 -11.761 648 2HB LYS 103 2HB LYS 103 -8.321 -0.256 -12.114 649 2HG LYS 103 2HG LYS 103 -6.234 0.117 -9.959 650 2HD LYS 103 2HD LYS 103 -6.490 -2.640 -10.204 651 2HE LYS 103 2HE LYS 103 -7.654 -2.405 -7.873 652 1HZ LYS 103 1HZ LYS 103 -5.182 -2.547 -8.305 653 2HZ LYS 103 2HZ LYS 103 -5.110 -0.922 -8.224 654 H GLU 104 H GLU 104 -5.523 1.883 -10.051 655 HA GLU 104 HA GLU 104 -6.318 2.383 -7.525 656 2HB GLU 104 2HB GLU 104 -4.063 3.605 -7.312 657 2HG GLU 104 2HG GLU 104 -4.050 0.932 -8.791 658 HE2 GLU 104 HE2 GLU 104 -1.079 0.137 -7.661 659 H PHE 105 H PHE 105 -6.004 4.698 -10.253 660 HA PHE 105 HA PHE 105 -6.327 7.024 -8.732 661 2HB PHE 105 2HB PHE 105 -7.417 7.501 -11.274 662 HD1 PHE 105 HD1 PHE 105 -4.067 6.130 -11.565 663 HD2 PHE 105 HD2 PHE 105 -6.311 9.585 -10.544 664 HE1 PHE 105 HE1 PHE 105 -1.998 7.535 -11.770 665 HE2 PHE 105 HE2 PHE 105 -4.241 10.990 -10.749 666 HZ PHE 105 HZ PHE 105 -2.109 9.949 -11.360 667 H LYS 106 H LYS 106 -8.658 4.774 -10.301 668 HA LYS 106 HA LYS 106 -10.941 6.156 -10.318 669 2HB LYS 106 2HB LYS 106 -10.520 3.314 -9.351 670 2HG LYS 106 2HG LYS 106 -12.967 3.352 -10.557 671 2HD LYS 106 2HD LYS 106 -13.934 3.508 -8.200 672 2HE LYS 106 2HE LYS 106 -12.333 1.597 -7.309 673 1HZ LYS 106 1HZ LYS 106 -13.889 0.329 -8.290 674 2HZ LYS 106 2HZ LYS 106 -14.430 1.625 -9.113 675 H ILE 107 H ILE 107 -9.131 5.103 -7.437 676 HA ILE 107 HA ILE 107 -10.933 5.251 -5.459 677 HB ILE 107 HB ILE 107 -8.446 4.853 -5.355 678 2HG1 ILE 107 2HG1 ILE 107 -8.350 5.291 -3.041 679 1HG2 ILE 107 1HG2 ILE 107 -7.750 7.505 -4.478 680 2HG2 ILE 107 2HG2 ILE 107 -6.987 6.483 -5.720 681 3HG2 ILE 107 3HG2 ILE 107 -8.340 7.553 -6.157 682 1HD1 ILE 107 1HD1 ILE 107 -10.555 7.019 -2.515 683 2HD1 ILE 107 2HD1 ILE 107 -8.828 7.355 -2.245 684 3HD1 ILE 107 3HD1 ILE 107 -9.592 7.804 -3.789 685 H THR 108 H THR 108 -9.831 7.903 -7.533 686 HA THR 108 HA THR 108 -11.881 9.586 -6.318 687 HB THR 108 HB THR 108 -10.021 11.472 -6.479 688 HG1 THR 108 HG1 THR 108 -7.930 10.242 -5.923 689 1HG2 THR 108 1HG2 THR 108 -10.785 9.666 -4.349 690 2HG2 THR 108 2HG2 THR 108 -9.025 9.919 -4.263 691 3HG2 THR 108 3HG2 THR 108 -10.129 11.315 -4.204 692 H ASP 109 H ASP 109 -9.218 9.755 -8.782 693 HA ASP 109 HA ASP 109 -10.465 11.403 -10.493 694 2HB ASP 109 2HB ASP 109 -9.223 9.658 -12.241 695 HD2 ASP 109 HD2 ASP 109 -8.452 12.616 -12.565 Start of MODEL 11 1 1H MET 1 1H MET 1 6.908 16.992 -5.250 2 HA MET 1 HA MET 1 4.278 16.110 -6.058 3 2HB MET 1 2HB MET 1 7.042 15.599 -7.292 4 2HG MET 1 2HG MET 1 4.648 14.323 -7.877 5 1HE MET 1 1HE MET 1 2.633 15.443 -7.812 6 2HE MET 1 2HE MET 1 1.897 16.334 -9.166 7 3HE MET 1 3HE MET 1 2.364 14.629 -9.372 8 H SER 2 H SER 2 4.115 14.830 -3.952 9 HA SER 2 HA SER 2 5.400 12.248 -4.381 10 2HB SER 2 2HB SER 2 6.523 13.026 -2.464 11 HG SER 2 HG SER 2 5.724 14.479 -1.076 12 H GLU 3 H GLU 3 3.964 10.538 -4.505 13 HA GLU 3 HA GLU 3 1.399 10.863 -3.220 14 2HB GLU 3 2HB GLU 3 0.211 10.083 -5.299 15 2HG GLU 3 2HG GLU 3 1.682 12.533 -6.195 16 HE2 GLU 3 HE2 GLU 3 -2.168 12.636 -5.502 17 H VAL 4 H VAL 4 0.785 8.978 -2.210 18 HA VAL 4 HA VAL 4 2.123 6.525 -3.119 19 HB VAL 4 HB VAL 4 3.223 6.792 -1.166 20 1HG1 VAL 4 1HG1 VAL 4 0.855 8.423 -0.228 21 2HG1 VAL 4 2HG1 VAL 4 2.158 7.922 0.877 22 3HG1 VAL 4 3HG1 VAL 4 2.528 8.953 -0.527 23 1HG2 VAL 4 1HG2 VAL 4 1.408 4.866 -1.031 24 2HG2 VAL 4 2HG2 VAL 4 2.446 5.258 0.362 25 3HG2 VAL 4 3HG2 VAL 4 0.776 5.869 0.297 26 H ASN 5 H ASN 5 0.750 4.920 -3.705 27 HA ASN 5 HA ASN 5 -1.875 4.936 -2.483 28 2HB ASN 5 2HB ASN 5 -2.801 5.709 -4.433 29 1HD2 ASN 5 1HD2 ASN 5 -0.705 3.892 -6.489 30 2HD2 ASN 5 2HD2 ASN 5 0.199 5.202 -7.173 31 H ILE 6 H ILE 6 -2.240 2.840 -1.739 32 HA ILE 6 HA ILE 6 -0.951 0.661 -3.227 33 HB ILE 6 HB ILE 6 -0.820 1.373 -0.359 34 2HG1 ILE 6 2HG1 ILE 6 0.982 1.018 -2.439 35 1HG2 ILE 6 1HG2 ILE 6 -2.209 -0.636 -0.254 36 2HG2 ILE 6 2HG2 ILE 6 -1.032 -1.514 -1.259 37 3HG2 ILE 6 3HG2 ILE 6 -0.571 -0.950 0.365 38 1HD1 ILE 6 1HD1 ILE 6 1.820 2.349 -0.757 39 2HD1 ILE 6 2HD1 ILE 6 1.070 1.375 0.529 40 3HD1 ILE 6 3HD1 ILE 6 2.578 0.823 -0.240 41 H VAL 7 H VAL 7 -2.421 -0.680 -4.107 42 HA VAL 7 HA VAL 7 -5.014 -0.865 -2.733 43 HB VAL 7 HB VAL 7 -5.024 0.347 -4.907 44 1HG1 VAL 7 1HG1 VAL 7 -4.046 -0.444 -6.754 45 2HG1 VAL 7 2HG1 VAL 7 -3.329 -1.720 -5.741 46 3HG1 VAL 7 3HG1 VAL 7 -4.864 -2.017 -6.593 47 1HG2 VAL 7 1HG2 VAL 7 -6.816 -1.295 -5.947 48 2HG2 VAL 7 2HG2 VAL 7 -6.596 -2.158 -4.407 49 3HG2 VAL 7 3HG2 VAL 7 -7.123 -0.458 -4.406 50 H VAL 8 H VAL 8 -5.858 -2.922 -2.361 51 HA VAL 8 HA VAL 8 -4.322 -5.170 -3.414 52 HB VAL 8 HB VAL 8 -4.969 -4.705 -0.496 53 1HG1 VAL 8 1HG1 VAL 8 -4.206 -6.852 0.001 54 2HG1 VAL 8 2HG1 VAL 8 -5.159 -7.105 -1.481 55 3HG1 VAL 8 3HG1 VAL 8 -3.383 -7.034 -1.566 56 1HG2 VAL 8 1HG2 VAL 8 -2.495 -4.791 -0.213 57 2HG2 VAL 8 2HG2 VAL 8 -2.325 -4.817 -1.984 58 3HG2 VAL 8 3HG2 VAL 8 -3.046 -3.402 -1.180 59 H ASN 9 H ASN 9 -5.814 -6.260 -4.591 60 HA ASN 9 HA ASN 9 -8.435 -6.542 -3.344 61 2HB ASN 9 2HB ASN 9 -8.744 -5.181 -5.323 62 1HD2 ASN 9 1HD2 ASN 9 -8.812 -5.433 -7.841 63 2HD2 ASN 9 2HD2 ASN 9 -7.285 -5.751 -8.597 64 H GLY 10 H GLY 10 -8.561 -8.683 -2.638 65 1HA GLY 10 1HA GLY 10 -8.891 -10.946 -3.280 66 2HA GLY 10 2HA GLY 10 -7.640 -10.781 -4.496 67 H ARG 11 H ARG 11 -7.368 -9.442 -1.181 68 HA ARG 11 HA ARG 11 -5.596 -9.641 0.141 69 2HB ARG 11 2HB ARG 11 -7.356 -11.053 1.153 70 2HG ARG 11 2HG ARG 11 -6.044 -13.510 -0.039 71 2HD ARG 11 2HD ARG 11 -8.973 -13.109 0.633 72 HE ARG 11 HE ARG 11 -8.606 -15.319 -0.161 73 1HH1 ARG 11 1HH1 ARG 11 -6.388 -14.559 2.495 74 2HH1 ARG 11 2HH1 ARG 11 -5.901 -16.205 2.725 75 2HH2 ARG 11 2HH2 ARG 11 -6.841 -17.913 1.330 76 H GLU 12 H GLU 12 -4.246 -9.616 -2.107 77 HA GLU 12 HA GLU 12 -2.682 -12.078 -2.145 78 2HB GLU 12 2HB GLU 12 -3.850 -11.569 -4.282 79 2HG GLU 12 2HG GLU 12 -3.164 -8.908 -3.708 80 HE2 GLU 12 HE2 GLU 12 -2.221 -8.622 -6.992 81 H ALA 13 H ALA 13 -0.605 -11.947 -1.398 82 HA ALA 13 HA ALA 13 0.825 -9.444 -1.695 83 1HB ALA 13 1HB ALA 13 -0.510 -10.115 0.727 84 2HB ALA 13 2HB ALA 13 1.227 -10.387 1.004 85 3HB ALA 13 3HB ALA 13 0.653 -8.796 0.449 86 H GLY 14 H GLY 14 3.111 -9.741 -1.667 87 1HA GLY 14 1HA GLY 14 4.280 -12.247 -0.949 88 2HA GLY 14 2HA GLY 14 4.084 -12.101 -2.684 89 H SER 15 H SER 15 5.240 -10.155 0.162 90 HA SER 15 HA SER 15 7.639 -9.601 -1.306 91 2HB SER 15 2HB SER 15 6.520 -7.699 -2.117 92 HG SER 15 HG SER 15 5.035 -6.470 -0.914 93 H LYS 16 H LYS 16 8.968 -7.879 0.288 94 HA LYS 16 HA LYS 16 9.025 -9.298 2.810 95 2HB LYS 16 2HB LYS 16 11.115 -7.816 3.099 96 2HG LYS 16 2HG LYS 16 10.653 -10.274 1.773 97 2HD LYS 16 2HD LYS 16 11.461 -8.462 -0.202 98 2HE LYS 16 2HE LYS 16 13.868 -10.184 0.041 99 1HZ LYS 16 1HZ LYS 16 13.118 -7.961 -1.358 100 2HZ LYS 16 2HZ LYS 16 14.168 -7.350 -0.275 101 H SER 17 H SER 17 6.893 -7.214 1.846 102 HA SER 17 HA SER 17 7.311 -5.108 3.726 103 2HB SER 17 2HB SER 17 6.143 -4.918 1.436 104 HG SER 17 HG SER 17 4.118 -5.676 1.207 105 H LYS 18 H LYS 18 6.695 -8.239 4.243 106 HA LYS 18 HA LYS 18 4.391 -7.909 5.983 107 2HB LYS 18 2HB LYS 18 5.380 -10.526 6.197 108 2HG LYS 18 2HG LYS 18 3.199 -9.250 4.486 109 2HD LYS 18 2HD LYS 18 2.887 -12.089 5.236 110 2HE LYS 18 2HE LYS 18 2.130 -10.223 3.118 111 1HZ LYS 18 1HZ LYS 18 3.284 -12.831 2.312 112 2HZ LYS 18 2HZ LYS 18 2.191 -12.053 1.389 113 H GLY 19 H GLY 19 7.697 -7.339 6.106 114 1HA GLY 19 1HA GLY 19 8.162 -8.380 8.771 115 2HA GLY 19 2HA GLY 19 9.267 -7.463 7.767 116 H CYS 20 H CYS 20 9.846 -5.624 8.846 117 HA CYS 20 HA CYS 20 7.660 -4.130 10.103 118 2HB CYS 20 2HB CYS 20 9.404 -3.216 11.662 119 HG CYS 20 HG CYS 20 7.812 -5.833 11.517 120 H ALA 21 H ALA 21 8.297 -1.665 10.231 121 HA ALA 21 HA ALA 21 8.783 -0.795 7.596 122 1HB ALA 21 1HB ALA 21 7.680 0.944 8.488 123 2HB ALA 21 2HB ALA 21 7.882 0.265 10.121 124 3HB ALA 21 3HB ALA 21 9.125 1.345 9.446 125 H LEU 22 H LEU 22 10.753 -0.817 10.631 126 HA LEU 22 HA LEU 22 12.956 0.493 9.470 127 2HB LEU 22 2HB LEU 22 13.341 -1.392 11.732 128 HG LEU 22 HG LEU 22 14.311 0.604 12.831 129 1HD1 LEU 22 1HD1 LEU 22 15.355 -0.723 10.438 130 2HD1 LEU 22 2HD1 LEU 22 16.117 0.851 10.766 131 3HD1 LEU 22 3HD1 LEU 22 16.122 -0.417 12.015 132 1HD2 LEU 22 1HD2 LEU 22 14.042 2.021 10.173 133 2HD2 LEU 22 2HD2 LEU 22 12.904 2.250 11.522 134 3HD2 LEU 22 3HD2 LEU 22 14.621 2.675 11.724 135 H CYS 23 H CYS 23 12.439 -3.012 10.299 136 HA CYS 23 HA CYS 23 14.250 -3.603 8.073 137 2HB CYS 23 2HB CYS 23 15.424 -4.040 10.163 138 HG CYS 23 HG CYS 23 12.995 -6.231 10.668 139 H GLY 24 H GLY 24 13.464 -5.154 6.617 140 1HA GLY 24 1HA GLY 24 10.823 -6.312 7.280 141 2HA GLY 24 2HA GLY 24 11.319 -5.798 5.680 142 H ALA 25 H ALA 25 12.682 -7.880 8.343 143 HA ALA 25 HA ALA 25 13.443 -9.798 6.255 144 1HB ALA 25 1HB ALA 25 14.518 -10.069 9.012 145 2HB ALA 25 2HB ALA 25 15.346 -10.198 7.441 146 3HB ALA 25 3HB ALA 25 15.009 -8.597 8.140 147 H THR 26 H THR 26 11.241 -9.127 8.838 148 HA THR 26 HA THR 26 10.742 -11.966 9.323 149 HB THR 26 HB THR 26 9.425 -11.118 11.214 150 HG1 THR 26 HG1 THR 26 9.262 -8.689 11.283 151 1HG2 THR 26 1HG2 THR 26 11.379 -10.686 12.318 152 2HG2 THR 26 2HG2 THR 26 12.186 -10.256 10.790 153 3HG2 THR 26 3HG2 THR 26 11.293 -9.018 11.705 154 H TRP 27 H TRP 27 8.388 -12.660 9.412 155 HA TRP 27 HA TRP 27 6.838 -11.300 7.333 156 2HB TRP 27 2HB TRP 27 7.888 -13.022 6.110 157 HD1 TRP 27 HD1 TRP 27 5.897 -15.561 8.254 158 HE1 TRP 27 HE1 TRP 27 7.441 -17.549 9.042 159 HE3 TRP 27 HE3 TRP 27 10.239 -13.571 6.510 160 HZ2 TRP 27 HZ2 TRP 27 10.244 -18.055 8.853 161 HZ3 TRP 27 HZ3 TRP 27 12.334 -14.877 6.854 162 HH2 TRP 27 HH2 TRP 27 12.383 -17.046 7.980 163 H GLY 28 H GLY 28 4.537 -11.546 7.633 164 1HA GLY 28 1HA GLY 28 3.662 -13.041 9.993 165 2HA GLY 28 2HA GLY 28 3.413 -11.307 9.988 166 H ASP 29 H ASP 29 2.488 -14.406 8.526 167 HA ASP 29 HA ASP 29 0.890 -13.354 6.508 168 2HB ASP 29 2HB ASP 29 1.332 -15.622 6.206 169 HD2 ASP 29 HD2 ASP 29 0.722 -18.021 7.496 170 H TYR 30 H TYR 30 0.158 -14.698 9.818 171 HA TYR 30 HA TYR 30 -2.580 -14.222 9.776 172 2HB TYR 30 2HB TYR 30 -2.268 -14.503 12.245 173 HD1 TYR 30 HD1 TYR 30 0.707 -15.879 12.727 174 HD2 TYR 30 HD2 TYR 30 -2.635 -16.476 10.123 175 HE1 TYR 30 HE1 TYR 30 1.347 -18.324 12.454 176 HE2 TYR 30 HE2 TYR 30 -1.983 -18.919 9.859 177 HH TYR 30 HH TYR 30 -0.249 -20.540 11.801 178 H HIS 31 H HIS 31 0.120 -12.011 10.062 179 HA HIS 31 HA HIS 31 -1.540 -9.993 11.311 180 2HB HIS 31 2HB HIS 31 0.473 -8.691 11.483 181 HD1 HIS 31 HD1 HIS 31 -0.052 -9.639 13.921 182 HD2 HIS 31 HD2 HIS 31 2.455 -12.030 11.558 183 HE1 HIS 31 HE1 HIS 31 1.054 -11.302 15.509 184 H ALA 32 H ALA 32 -1.371 -7.696 10.263 185 HA ALA 32 HA ALA 32 -1.677 -8.025 7.356 186 1HB ALA 32 1HB ALA 32 -3.168 -5.935 8.932 187 2HB ALA 32 2HB ALA 32 -3.602 -6.720 7.394 188 3HB ALA 32 3HB ALA 32 -3.763 -7.613 8.926 189 H ASP 33 H ASP 33 -1.138 -6.077 6.080 190 HA ASP 33 HA ASP 33 0.699 -4.355 7.549 191 2HB ASP 33 2HB ASP 33 2.075 -5.821 6.216 192 HD2 ASP 33 HD2 ASP 33 0.131 -7.424 4.812 193 H PHE 34 H PHE 34 0.486 -2.118 7.034 194 HA PHE 34 HA PHE 34 -1.781 -1.466 5.351 195 2HB PHE 34 2HB PHE 34 -1.466 0.759 6.444 196 HD1 PHE 34 HD1 PHE 34 -0.873 1.112 9.229 197 HD2 PHE 34 HD2 PHE 34 -2.256 -2.370 7.236 198 HE1 PHE 34 HE1 PHE 34 -1.898 0.293 11.369 199 HE2 PHE 34 HE2 PHE 34 -3.281 -3.189 9.376 200 HZ PHE 34 HZ PHE 34 -3.090 -1.847 11.417 201 H LEU 35 H LEU 35 -1.351 0.904 4.232 202 HA LEU 35 HA LEU 35 0.141 0.403 1.997 203 2HB LEU 35 2HB LEU 35 -0.216 2.645 1.409 204 HG LEU 35 HG LEU 35 -2.441 2.173 3.406 205 1HD1 LEU 35 1HD1 LEU 35 -3.203 3.328 0.869 206 2HD1 LEU 35 2HD1 LEU 35 -3.432 3.951 2.521 207 3HD1 LEU 35 3HD1 LEU 35 -1.922 4.291 1.643 208 1HD2 LEU 35 1HD2 LEU 35 -2.869 1.312 0.617 209 2HD2 LEU 35 2HD2 LEU 35 -1.723 0.319 1.549 210 3HD2 LEU 35 3HD2 LEU 35 -3.381 0.566 2.150 211 H GLY 36 H GLY 36 1.206 1.304 5.205 212 1HA GLY 36 1HA GLY 36 3.556 2.649 4.769 213 2HA GLY 36 2HA GLY 36 3.275 1.505 6.067 214 H GLU 37 H GLU 37 2.722 -0.680 3.925 215 HA GLU 37 HA GLU 37 3.807 -2.178 2.775 216 2HB GLU 37 2HB GLU 37 6.308 -0.481 2.578 217 2HG GLU 37 2HG GLU 37 6.404 -2.665 1.489 218 HE2 GLU 37 HE2 GLU 37 5.046 -4.053 -0.505 219 H ASP 38 H ASP 38 3.889 -2.000 5.691 220 HA ASP 38 HA ASP 38 6.143 -3.746 6.066 221 2HB ASP 38 2HB ASP 38 7.346 -2.064 7.046 222 HD2 ASP 38 HD2 ASP 38 6.450 -0.461 5.542 223 H LEU 39 H LEU 39 5.955 -4.602 8.548 224 HA LEU 39 HA LEU 39 3.103 -4.764 9.222 225 2HB LEU 39 2HB LEU 39 4.793 -7.123 9.775 226 HG LEU 39 HG LEU 39 2.040 -6.813 8.544 227 1HD1 LEU 39 1HD1 LEU 39 3.403 -8.837 7.821 228 2HD1 LEU 39 2HD1 LEU 39 3.299 -9.381 9.512 229 3HD1 LEU 39 3HD1 LEU 39 1.815 -9.158 8.556 230 1HD2 LEU 39 1HD2 LEU 39 2.355 -8.140 11.161 231 2HD2 LEU 39 2HD2 LEU 39 2.690 -6.392 11.147 232 3HD2 LEU 39 3HD2 LEU 39 1.115 -7.002 10.584 233 H PHE 40 H PHE 40 2.730 -3.914 11.190 234 HA PHE 40 HA PHE 40 4.997 -3.834 13.040 235 2HB PHE 40 2HB PHE 40 4.223 -1.670 13.297 236 HD1 PHE 40 HD1 PHE 40 0.860 -2.836 12.275 237 HD2 PHE 40 HD2 PHE 40 4.324 -0.647 11.176 238 HE1 PHE 40 HE1 PHE 40 -0.343 -1.947 10.260 239 HE2 PHE 40 HE2 PHE 40 3.122 0.243 9.160 240 HZ PHE 40 HZ PHE 40 0.803 -0.419 8.726 241 H PHE 41 H PHE 41 1.839 -5.236 12.449 242 HA PHE 41 HA PHE 41 1.020 -5.660 15.076 243 2HB PHE 41 2HB PHE 41 0.356 -7.872 13.291 244 HD1 PHE 41 HD1 PHE 41 -0.901 -4.356 13.500 245 HD2 PHE 41 HD2 PHE 41 -1.639 -8.463 14.274 246 HE1 PHE 41 HE1 PHE 41 -3.205 -3.789 14.316 247 HE2 PHE 41 HE2 PHE 41 -3.944 -7.895 15.090 248 HZ PHE 41 HZ PHE 41 -4.699 -5.564 15.101 249 H CYS 42 H CYS 42 3.807 -6.809 13.509 250 HA CYS 42 HA CYS 42 3.787 -9.388 14.797 251 2HB CYS 42 2HB CYS 42 4.760 -9.404 12.634 252 HG CYS 42 HG CYS 42 5.765 -7.621 11.452 253 H CYS 43 H CYS 43 5.674 -6.278 14.864 254 HA CYS 43 HA CYS 43 6.621 -7.066 17.519 255 2HB CYS 43 2HB CYS 43 8.489 -5.531 17.181 256 HG CYS 43 HG CYS 43 9.395 -6.545 14.606 257 H ASP 44 H ASP 44 5.755 -4.129 15.537 258 HA ASP 44 HA ASP 44 4.553 -2.377 15.986 259 2HB ASP 44 2HB ASP 44 3.617 -3.867 18.484 260 HD2 ASP 44 HD2 ASP 44 1.177 -1.578 19.135 261 H ILE 45 H ILE 45 7.285 -3.085 17.301 262 HA ILE 45 HA ILE 45 7.158 -1.253 19.584 263 HB ILE 45 HB ILE 45 8.002 -3.549 19.961 264 2HG1 ILE 45 2HG1 ILE 45 8.775 -1.311 21.135 265 1HG2 ILE 45 1HG2 ILE 45 10.406 -2.751 18.309 266 2HG2 ILE 45 2HG2 ILE 45 10.046 -4.329 19.051 267 3HG2 ILE 45 3HG2 ILE 45 9.072 -3.748 17.679 268 1HD1 ILE 45 1HD1 ILE 45 8.754 -3.349 22.385 269 2HD1 ILE 45 2HD1 ILE 45 10.026 -4.073 21.373 270 3HD1 ILE 45 3HD1 ILE 45 10.428 -2.756 22.499 271 H CYS 46 H CYS 46 9.303 -2.106 16.772 272 HA CYS 46 HA CYS 46 10.215 0.661 16.813 273 2HB CYS 46 2HB CYS 46 11.989 -0.998 16.865 274 HG CYS 46 HG CYS 46 10.805 -1.867 13.899 275 H ALA 47 H ALA 47 7.911 -1.409 15.378 276 HA ALA 47 HA ALA 47 7.966 0.030 12.831 277 1HB ALA 47 1HB ALA 47 6.042 -1.820 12.502 278 2HB ALA 47 2HB ALA 47 7.768 -2.192 12.277 279 3HB ALA 47 3HB ALA 47 6.959 -2.615 13.805 280 H ALA 48 H ALA 48 5.631 0.515 11.963 281 HA ALA 48 HA ALA 48 3.621 1.453 12.214 282 1HB ALA 48 1HB ALA 48 3.638 1.488 15.197 283 2HB ALA 48 2HB ALA 48 2.348 1.014 14.065 284 3HB ALA 48 3HB ALA 48 3.678 -0.114 14.424 285 H GLU 49 H GLU 49 5.398 3.118 11.461 286 HA GLU 49 HA GLU 49 5.921 5.106 13.460 287 2HB GLU 49 2HB GLU 49 7.645 4.485 11.772 288 2HG GLU 49 2HG GLU 49 5.894 5.940 9.748 289 HE2 GLU 49 HE2 GLU 49 8.657 6.239 10.264 290 H PHE 50 H PHE 50 5.020 7.206 13.536 291 HA PHE 50 HA PHE 50 2.433 7.414 12.345 292 2HB PHE 50 2HB PHE 50 2.412 9.512 13.698 293 HD1 PHE 50 HD1 PHE 50 4.596 9.244 16.107 294 HD2 PHE 50 HD2 PHE 50 1.671 6.739 14.325 295 HE1 PHE 50 HE1 PHE 50 4.391 7.958 18.252 296 HE2 PHE 50 HE2 PHE 50 1.466 5.453 16.470 297 HZ PHE 50 HZ PHE 50 2.829 6.077 18.408 298 H MET 51 H MET 51 5.427 7.787 11.001 299 HA MET 51 HA MET 51 5.325 10.320 9.883 300 2HB MET 51 2HB MET 51 6.710 8.806 8.024 301 2HG MET 51 2HG MET 51 7.666 10.630 9.453 302 1HE MET 51 1HE MET 51 6.939 11.649 11.174 303 2HE MET 51 2HE MET 51 5.717 10.628 11.969 304 3HE MET 51 3HE MET 51 7.095 11.258 12.903 305 H ASN 52 H ASN 52 3.788 7.235 8.981 306 HA ASN 52 HA ASN 52 3.018 8.281 6.427 307 2HB ASN 52 2HB ASN 52 1.545 5.913 6.949 308 1HD2 ASN 52 1HD2 ASN 52 1.861 7.050 4.723 309 2HD2 ASN 52 2HD2 ASN 52 3.038 6.331 3.674 310 H MET 53 H MET 53 0.411 7.462 6.045 311 HA MET 53 HA MET 53 -0.993 9.176 7.885 312 2HB MET 53 2HB MET 53 -2.756 8.053 5.917 313 2HG MET 53 2HG MET 53 -2.680 10.443 6.738 314 1HE MET 53 1HE MET 53 -1.416 11.723 7.839 315 2HE MET 53 2HE MET 53 0.155 10.894 7.954 316 3HE MET 53 3HE MET 53 0.077 12.579 7.387 317 H MET 54 H MET 54 -2.849 8.535 9.116 318 HA MET 54 HA MET 54 -2.677 5.968 10.158 319 2HB MET 54 2HB MET 54 -5.005 7.969 10.243 320 2HG MET 54 2HG MET 54 -4.892 5.364 11.280 321 1HE MET 54 1HE MET 54 -3.584 8.674 13.794 322 2HE MET 54 2HE MET 54 -5.199 8.533 13.060 323 3HE MET 54 3HE MET 54 -4.955 8.090 14.767 324 H ASP 55 H ASP 55 -4.784 7.432 7.645 325 HA ASP 55 HA ASP 55 -6.748 5.640 7.447 326 2HB ASP 55 2HB ASP 55 -6.818 6.164 5.022 327 HD2 ASP 55 HD2 ASP 55 -8.188 7.269 6.487 328 H GLU 56 H GLU 56 -3.316 5.315 6.457 329 HA GLU 56 HA GLU 56 -3.391 3.219 4.781 330 2HB GLU 56 2HB GLU 56 -1.371 4.543 5.653 331 2HG GLU 56 2HG GLU 56 -1.110 2.278 7.653 332 HE2 GLU 56 HE2 GLU 56 0.978 2.824 6.531 333 H ALA 57 H ALA 57 -3.895 3.222 8.317 334 HA ALA 57 HA ALA 57 -3.654 0.447 8.692 335 1HB ALA 57 1HB ALA 57 -4.853 2.774 10.183 336 2HB ALA 57 2HB ALA 57 -5.193 1.116 10.734 337 3HB ALA 57 3HB ALA 57 -3.513 1.698 10.648 338 H PHE 58 H PHE 58 -6.477 2.623 8.037 339 HA PHE 58 HA PHE 58 -8.515 0.878 8.254 340 2HB PHE 58 2HB PHE 58 -8.620 2.442 5.743 341 HD1 PHE 58 HD1 PHE 58 -9.541 4.960 7.535 342 HD2 PHE 58 HD2 PHE 58 -10.605 0.859 7.299 343 HE1 PHE 58 HE1 PHE 58 -11.824 5.501 8.427 344 HE2 PHE 58 HE2 PHE 58 -12.888 1.400 8.191 345 HZ PHE 58 HZ PHE 58 -13.471 3.714 8.745 346 H LYS 59 H LYS 59 -6.200 1.170 5.505 347 HA LYS 59 HA LYS 59 -7.418 -0.372 3.641 348 2HB LYS 59 2HB LYS 59 -4.681 0.421 4.297 349 2HG LYS 59 2HG LYS 59 -4.428 -2.104 4.204 350 2HD LYS 59 2HD LYS 59 -6.302 -1.913 2.131 351 2HE LYS 59 2HE LYS 59 -4.064 -3.133 0.663 352 1HZ LYS 59 1HZ LYS 59 -6.259 -2.554 -0.268 353 2HZ LYS 59 2HZ LYS 59 -5.973 -0.968 -0.042 354 H HIS 60 H HIS 60 -5.302 -1.558 6.344 355 HA HIS 60 HA HIS 60 -5.457 -4.219 5.790 356 2HB HIS 60 2HB HIS 60 -4.678 -2.545 7.983 357 HD1 HIS 60 HD1 HIS 60 -6.219 -6.061 8.273 358 HD2 HIS 60 HD2 HIS 60 -5.566 -2.599 10.550 359 HE1 HIS 60 HE1 HIS 60 -7.212 -6.523 10.578 360 H THR 61 H THR 61 -7.701 -2.277 7.888 361 HA THR 61 HA THR 61 -9.441 -4.406 8.428 362 HB THR 61 HB THR 61 -9.602 -1.364 8.479 363 HG1 THR 61 HG1 THR 61 -9.845 -3.519 10.453 364 1HG2 THR 61 1HG2 THR 61 -11.707 -1.763 9.888 365 2HG2 THR 61 2HG2 THR 61 -11.933 -2.016 8.140 366 3HG2 THR 61 3HG2 THR 61 -11.748 -3.415 9.226 367 H ALA 62 H ALA 62 -9.192 -2.164 5.665 368 HA ALA 62 HA ALA 62 -11.709 -2.638 4.582 369 1HB ALA 62 1HB ALA 62 -10.774 -1.700 2.571 370 2HB ALA 62 2HB ALA 62 -10.011 -0.866 3.946 371 3HB ALA 62 3HB ALA 62 -9.121 -2.132 3.068 372 H ARG 63 H ARG 63 -8.521 -4.225 3.832 373 HA ARG 63 HA ARG 63 -9.747 -6.124 2.185 374 2HB ARG 63 2HB ARG 63 -7.042 -6.366 3.589 375 2HG ARG 63 2HG ARG 63 -7.149 -7.178 0.800 376 2HD ARG 63 2HD ARG 63 -5.426 -8.069 2.210 377 HE ARG 63 HE ARG 63 -7.591 -8.474 4.186 378 1HH1 ARG 63 1HH1 ARG 63 -4.190 -9.016 3.356 379 2HH1 ARG 63 2HH1 ARG 63 -3.712 -9.335 4.989 380 2HH2 ARG 63 2HH2 ARG 63 -5.358 -9.257 6.730 381 H HIS 64 H HIS 64 -10.394 -5.725 5.298 382 HA HIS 64 HA HIS 64 -9.776 -8.279 6.387 383 2HB HIS 64 2HB HIS 64 -11.837 -6.337 7.433 384 HD1 HIS 64 HD1 HIS 64 -10.705 -6.190 10.250 385 HD2 HIS 64 HD2 HIS 64 -10.947 -9.767 8.072 386 HE1 HIS 64 HE1 HIS 64 -10.689 -8.076 11.969 387 H ASN 65 H ASN 65 -12.927 -6.660 5.544 388 HA ASN 65 HA ASN 65 -13.939 -9.349 5.053 389 2HB ASN 65 2HB ASN 65 -15.505 -8.658 6.597 390 1HD2 ASN 65 1HD2 ASN 65 -16.445 -5.678 5.440 391 2HD2 ASN 65 2HD2 ASN 65 -15.667 -4.633 6.582 392 H VAL 66 H VAL 66 -14.491 -5.849 4.162 393 HA VAL 66 HA VAL 66 -15.286 -6.706 1.493 394 HB VAL 66 HB VAL 66 -16.124 -4.458 1.247 395 1HG1 VAL 66 1HG1 VAL 66 -17.560 -4.466 3.525 396 2HG1 VAL 66 2HG1 VAL 66 -17.848 -5.608 2.189 397 3HG1 VAL 66 3HG1 VAL 66 -16.890 -6.113 3.602 398 1HG2 VAL 66 1HG2 VAL 66 -15.444 -2.686 2.438 399 2HG2 VAL 66 2HG2 VAL 66 -15.696 -3.528 3.986 400 3HG2 VAL 66 3HG2 VAL 66 -14.171 -3.745 3.093 401 H ASP 67 H ASP 67 -14.507 -4.036 0.370 402 HA ASP 67 HA ASP 67 -11.619 -4.324 0.468 403 2HB ASP 67 2HB ASP 67 -12.710 -5.489 -1.567 404 HD2 ASP 67 HD2 ASP 67 -12.718 -1.887 -2.536 405 H GLU 68 H GLU 68 -10.609 -2.283 0.573 406 HA GLU 68 HA GLU 68 -12.108 -0.010 -0.395 407 2HB GLU 68 2HB GLU 68 -10.819 0.289 2.307 408 2HG GLU 68 2HG GLU 68 -11.730 2.307 1.392 409 HE2 GLU 68 HE2 GLU 68 -13.415 1.414 -1.350 410 H LEU 69 H LEU 69 -10.776 1.679 -1.167 411 HA LEU 69 HA LEU 69 -7.906 1.342 -0.727 412 2HB LEU 69 2HB LEU 69 -7.652 0.534 -2.764 413 HG LEU 69 HG LEU 69 -9.356 0.667 -4.607 414 1HD1 LEU 69 1HD1 LEU 69 -9.074 -1.179 -2.751 415 2HD1 LEU 69 2HD1 LEU 69 -10.682 -0.607 -2.245 416 3HD1 LEU 69 3HD1 LEU 69 -10.437 -1.226 -3.896 417 1HD2 LEU 69 1HD2 LEU 69 -10.561 2.551 -2.848 418 2HD2 LEU 69 2HD2 LEU 69 -11.095 2.032 -4.465 419 3HD2 LEU 69 3HD2 LEU 69 -11.672 1.170 -3.019 420 H HIS 70 H HIS 70 -6.758 3.276 -0.573 421 HA HIS 70 HA HIS 70 -8.262 5.704 -1.132 422 2HB HIS 70 2HB HIS 70 -7.828 6.668 1.001 423 HD1 HIS 70 HD1 HIS 70 -7.913 3.103 2.233 424 HD2 HIS 70 HD2 HIS 70 -10.595 6.192 1.303 425 HE1 HIS 70 HE1 HIS 70 -10.183 2.375 3.140 426 H ILE 71 H ILE 71 -6.976 7.425 -1.854 427 HA ILE 71 HA ILE 71 -4.089 6.963 -1.814 428 HB ILE 71 HB ILE 71 -4.674 6.120 -3.925 429 2HG1 ILE 71 2HG1 ILE 71 -3.379 7.433 -5.336 430 1HG2 ILE 71 1HG2 ILE 71 -5.997 8.202 -5.301 431 2HG2 ILE 71 2HG2 ILE 71 -6.628 6.598 -4.856 432 3HG2 ILE 71 3HG2 ILE 71 -6.857 7.980 -3.758 433 1HD1 ILE 71 1HD1 ILE 71 -3.256 10.044 -4.348 434 2HD1 ILE 71 2HD1 ILE 71 -4.164 9.520 -5.787 435 3HD1 ILE 71 3HD1 ILE 71 -4.983 9.634 -4.210 436 H ASP 72 H ASP 72 -2.949 8.757 -1.236 437 HA ASP 72 HA ASP 72 -4.242 11.312 -1.620 438 2HB ASP 72 2HB ASP 72 -3.039 11.582 0.895 439 HD2 ASP 72 HD2 ASP 72 -7.036 11.250 0.751 440 H GLY 73 H GLY 73 -2.666 12.990 -1.969 441 1HA GLY 73 1HA GLY 73 0.164 12.228 -1.614 442 2HA GLY 73 2HA GLY 73 -0.419 12.839 -3.149 443 H ASN 74 H ASN 74 1.344 13.817 -0.632 444 HA ASN 74 HA ASN 74 0.411 16.534 -0.935 445 2HB ASN 74 2HB ASN 74 1.306 15.792 1.831 446 1HD2 ASN 74 1HD2 ASN 74 -1.593 16.383 2.516 447 2HD2 ASN 74 2HD2 ASN 74 -1.747 18.104 2.404 448 H TYR 75 H TYR 75 2.192 18.030 -0.886 449 HA TYR 75 HA TYR 75 4.746 16.947 -1.350 450 2HB TYR 75 2HB TYR 75 3.507 19.216 -2.003 451 HD1 TYR 75 HD1 TYR 75 5.760 21.327 -0.769 452 HD2 TYR 75 HD2 TYR 75 2.324 19.210 0.651 453 HE1 TYR 75 HE1 TYR 75 5.401 23.095 1.023 454 HE2 TYR 75 HE2 TYR 75 1.977 20.985 2.439 455 HH TYR 75 HH TYR 75 2.576 23.450 2.664 456 H GLN 76 H GLN 76 3.032 17.311 1.559 457 HA GLN 76 HA GLN 76 5.537 17.634 3.020 458 2HB GLN 76 2HB GLN 76 3.635 19.337 3.374 459 2HG GLN 76 2HG GLN 76 2.466 17.194 5.174 460 1HE2 GLN 76 1HE2 GLN 76 2.722 19.493 6.227 461 2HE2 GLN 76 2HE2 GLN 76 1.329 20.516 6.107 462 H LEU 77 H LEU 77 3.355 15.348 1.898 463 HA LEU 77 HA LEU 77 2.687 13.742 3.978 464 2HB LEU 77 2HB LEU 77 3.755 12.393 1.568 465 HG LEU 77 HG LEU 77 2.102 11.408 3.308 466 1HD1 LEU 77 1HD1 LEU 77 -0.232 12.206 1.851 467 2HD1 LEU 77 2HD1 LEU 77 0.121 12.360 3.589 468 3HD1 LEU 77 3HD1 LEU 77 0.599 13.655 2.466 469 1HD2 LEU 77 1HD2 LEU 77 2.565 10.944 0.580 470 2HD2 LEU 77 2HD2 LEU 77 1.866 9.823 1.772 471 3HD2 LEU 77 3HD2 LEU 77 0.800 10.857 0.790 472 H GLY 78 H GLY 78 5.726 13.331 2.019 473 1HA GLY 78 1HA GLY 78 7.601 13.313 3.944 474 2HA GLY 78 2HA GLY 78 6.882 11.726 4.136 475 H ARG 79 H ARG 79 6.950 13.358 0.968 476 HA ARG 79 HA ARG 79 7.771 12.717 -0.936 477 2HB ARG 79 2HB ARG 79 10.439 11.888 0.085 478 2HG ARG 79 2HG ARG 79 9.444 14.209 -1.636 479 2HD ARG 79 2HD ARG 79 11.832 14.389 -2.340 480 HE ARG 79 HE ARG 79 12.175 14.723 0.524 481 1HH1 ARG 79 1HH1 ARG 79 10.372 15.966 -2.261 482 2HH1 ARG 79 2HH1 ARG 79 10.108 17.525 -1.552 483 2HH2 ARG 79 2HH2 ARG 79 10.971 17.980 0.636 484 H ASN 80 H ASN 80 6.264 10.661 -0.061 485 HA ASN 80 HA ASN 80 7.962 8.317 -0.417 486 2HB ASN 80 2HB ASN 80 6.902 7.472 1.420 487 1HD2 ASN 80 1HD2 ASN 80 4.157 9.506 0.534 488 2HD2 ASN 80 2HD2 ASN 80 4.179 10.546 1.919 489 H VAL 81 H VAL 81 7.666 7.367 -2.439 490 HA VAL 81 HA VAL 81 5.048 7.768 -3.717 491 HB VAL 81 HB VAL 81 6.195 7.738 -5.842 492 1HG1 VAL 81 1HG1 VAL 81 7.764 9.696 -4.170 493 2HG1 VAL 81 2HG1 VAL 81 7.050 9.909 -5.787 494 3HG1 VAL 81 3HG1 VAL 81 6.000 9.858 -4.351 495 1HG2 VAL 81 1HG2 VAL 81 8.577 7.046 -4.157 496 2HG2 VAL 81 2HG2 VAL 81 8.055 6.387 -5.727 497 3HG2 VAL 81 3HG2 VAL 81 8.823 7.991 -5.645 498 H LEU 82 H LEU 82 3.890 5.917 -3.548 499 HA LEU 82 HA LEU 82 5.356 3.421 -4.048 500 2HB LEU 82 2HB LEU 82 3.397 2.526 -2.493 501 HG LEU 82 HG LEU 82 6.005 3.721 -1.552 502 1HD1 LEU 82 1HD1 LEU 82 4.302 3.837 0.266 503 2HD1 LEU 82 2HD1 LEU 82 4.114 2.071 0.142 504 3HD1 LEU 82 3HD1 LEU 82 5.679 2.769 0.624 505 1HD2 LEU 82 1HD2 LEU 82 5.230 0.812 -1.572 506 2HD2 LEU 82 2HD2 LEU 82 5.845 1.617 -3.036 507 3HD2 LEU 82 3HD2 LEU 82 6.850 1.552 -1.568 508 H LEU 83 H LEU 83 4.674 2.435 -5.865 509 HA LEU 83 HA LEU 83 1.927 3.032 -6.724 510 2HB LEU 83 2HB LEU 83 4.255 2.314 -8.501 511 HG LEU 83 HG LEU 83 1.466 3.311 -9.013 512 1HD1 LEU 83 1HD1 LEU 83 3.927 4.246 -10.337 513 2HD1 LEU 83 2HD1 LEU 83 2.656 3.660 -11.438 514 3HD1 LEU 83 3HD1 LEU 83 2.300 4.964 -10.280 515 1HD2 LEU 83 1HD2 LEU 83 2.408 0.855 -9.244 516 2HD2 LEU 83 2HD2 LEU 83 1.260 1.525 -10.428 517 3HD2 LEU 83 3HD2 LEU 83 2.998 1.473 -10.805 518 H LYS 84 H LYS 84 0.626 1.343 -6.249 519 HA LYS 84 HA LYS 84 1.723 -1.327 -6.790 520 2HB LYS 84 2HB LYS 84 -0.085 -1.858 -4.856 521 2HG LYS 84 2HG LYS 84 2.386 -1.055 -3.563 522 2HD LYS 84 2HD LYS 84 1.511 -3.796 -4.584 523 2HE LYS 84 2HE LYS 84 3.777 -3.888 -3.748 524 1HZ LYS 84 1HZ LYS 84 2.964 -2.547 -1.246 525 2HZ LYS 84 2HZ LYS 84 4.470 -2.762 -1.831 526 H ASN 85 H ASN 85 0.653 -2.327 -8.403 527 HA ASN 85 HA ASN 85 -2.072 -1.407 -8.875 528 2HB ASN 85 2HB ASN 85 -0.209 -2.774 -10.882 529 1HD2 ASN 85 1HD2 ASN 85 -0.837 -1.482 -13.057 530 2HD2 ASN 85 2HD2 ASN 85 -2.516 -1.586 -13.467 531 H GLY 86 H GLY 86 -3.582 -2.970 -8.282 532 1HA GLY 86 1HA GLY 86 -2.728 -5.801 -8.381 533 2HA GLY 86 2HA GLY 86 -3.848 -5.129 -7.213 534 H GLU 87 H GLU 87 -3.682 -6.963 -9.986 535 HA GLU 87 HA GLU 87 -6.377 -6.136 -10.732 536 2HB GLU 87 2HB GLU 87 -4.770 -7.494 -12.832 537 2HG GLU 87 2HG GLU 87 -6.804 -5.296 -12.564 538 HE2 GLU 87 HE2 GLU 87 -7.188 -4.049 -14.250 539 H ASP 88 H ASP 88 -7.868 -7.712 -10.342 540 HA ASP 88 HA ASP 88 -7.036 -10.447 -10.744 541 2HB ASP 88 2HB ASP 88 -8.591 -10.715 -8.480 542 HD2 ASP 88 HD2 ASP 88 -6.380 -12.259 -6.926 543 H ARG 89 H ARG 89 -8.667 -11.408 -11.971 544 HA ARG 89 HA ARG 89 -11.370 -10.485 -11.486 545 2HB ARG 89 2HB ARG 89 -11.595 -9.608 -13.576 546 2HG ARG 89 2HG ARG 89 -9.174 -10.046 -14.956 547 2HD ARG 89 2HD ARG 89 -10.480 -7.876 -14.569 548 HE ARG 89 HE ARG 89 -8.892 -7.569 -12.060 549 1HH1 ARG 89 1HH1 ARG 89 -12.052 -7.730 -13.655 550 2HH1 ARG 89 2HH1 ARG 89 -12.914 -7.124 -12.281 551 2HH2 ARG 89 2HH2 ARG 89 -11.706 -6.567 -10.288 552 H LEU 90 H LEU 90 -12.800 -12.206 -11.288 553 HA LEU 90 HA LEU 90 -11.937 -14.768 -12.429 554 2HB LEU 90 2HB LEU 90 -12.994 -15.810 -10.378 555 HG LEU 90 HG LEU 90 -11.079 -15.789 -9.048 556 1HD1 LEU 90 1HD1 LEU 90 -9.704 -14.939 -11.561 557 2HD1 LEU 90 2HD1 LEU 90 -9.416 -16.349 -10.514 558 3HD1 LEU 90 3HD1 LEU 90 -10.810 -16.334 -11.621 559 1HD2 LEU 90 1HD2 LEU 90 -10.710 -13.654 -8.306 560 2HD2 LEU 90 2HD2 LEU 90 -9.342 -13.842 -9.428 561 3HD2 LEU 90 3HD2 LEU 90 -10.794 -12.947 -9.937 562 H ARG 91 H ARG 91 -14.028 -16.352 -12.178 563 HA ARG 91 HA ARG 91 -15.967 -15.010 -13.769 564 2HB ARG 91 2HB ARG 91 -15.348 -17.282 -14.395 565 2HG ARG 91 2HG ARG 91 -15.563 -17.729 -11.496 566 2HD ARG 91 2HD ARG 91 -17.693 -18.867 -12.233 567 HE ARG 91 HE ARG 91 -15.974 -19.917 -14.326 568 1HH1 ARG 91 1HH1 ARG 91 -18.787 -20.710 -12.323 569 2HH1 ARG 91 2HH1 ARG 91 -19.436 -21.839 -13.464 570 2HH2 ARG 91 2HH2 ARG 91 -18.270 -22.233 -15.520 571 H PHE 92 H PHE 92 -15.506 -15.889 -10.407 572 HA PHE 92 HA PHE 92 -18.272 -15.995 -9.729 573 2HB PHE 92 2HB PHE 92 -16.057 -16.954 -8.591 574 HD1 PHE 92 HD1 PHE 92 -13.937 -15.911 -8.526 575 HD2 PHE 92 HD2 PHE 92 -17.221 -14.109 -6.532 576 HE1 PHE 92 HE1 PHE 92 -12.370 -14.308 -7.395 577 HE2 PHE 92 HE2 PHE 92 -15.655 -12.506 -5.400 578 HZ PHE 92 HZ PHE 92 -13.248 -12.626 -5.845 579 H TYR 93 H TYR 93 -16.356 -13.459 -10.779 580 HA TYR 93 HA TYR 93 -17.362 -11.507 -8.882 581 2HB TYR 93 2HB TYR 93 -16.071 -10.457 -11.281 582 HD1 TYR 93 HD1 TYR 93 -14.604 -12.021 -8.198 583 HD2 TYR 93 HD2 TYR 93 -15.430 -8.423 -10.360 584 HE1 TYR 93 HE1 TYR 93 -13.347 -10.673 -6.447 585 HE2 TYR 93 HE2 TYR 93 -14.170 -7.087 -8.602 586 HH TYR 93 HH TYR 93 -13.347 -7.162 -6.535 587 H VAL 94 H VAL 94 -19.273 -10.472 -9.144 588 HA VAL 94 HA VAL 94 -20.454 -10.540 -11.825 589 HB VAL 94 HB VAL 94 -21.898 -9.818 -9.295 590 1HG1 VAL 94 1HG1 VAL 94 -22.590 -10.648 -12.069 591 2HG1 VAL 94 2HG1 VAL 94 -23.630 -11.264 -10.763 592 3HG1 VAL 94 3HG1 VAL 94 -23.407 -9.511 -10.970 593 1HG2 VAL 94 1HG2 VAL 94 -22.484 -12.203 -8.988 594 2HG2 VAL 94 2HG2 VAL 94 -21.320 -12.638 -10.263 595 3HG2 VAL 94 3HG2 VAL 94 -20.747 -11.894 -8.751 596 H LYS 95 H LYS 95 -18.931 -8.515 -9.440 597 HA LYS 95 HA LYS 95 -20.182 -6.102 -10.401 598 2HB LYS 95 2HB LYS 95 -17.811 -5.752 -8.746 599 2HG LYS 95 2HG LYS 95 -20.691 -4.962 -8.858 600 2HD LYS 95 2HD LYS 95 -19.456 -5.800 -6.355 601 2HE LYS 95 2HE LYS 95 -20.001 -3.701 -5.073 602 1HZ LYS 95 1HZ LYS 95 -18.006 -2.839 -7.016 603 2HZ LYS 95 2HZ LYS 95 -17.896 -2.905 -5.392 604 H PHE 96 H PHE 96 -17.262 -8.045 -10.951 605 HA PHE 96 HA PHE 96 -15.500 -7.749 -12.263 606 2HB PHE 96 2HB PHE 96 -16.237 -6.756 -14.573 607 HD1 PHE 96 HD1 PHE 96 -15.437 -9.112 -14.831 608 HD2 PHE 96 HD2 PHE 96 -19.380 -8.205 -13.552 609 HE1 PHE 96 HE1 PHE 96 -16.161 -11.445 -15.408 610 HE2 PHE 96 HE2 PHE 96 -20.104 -10.539 -14.130 611 HZ PHE 96 HZ PHE 96 -18.485 -12.130 -15.050 612 H GLY 97 H GLY 97 -14.663 -6.144 -10.580 613 1HA GLY 97 1HA GLY 97 -14.459 -3.448 -11.786 614 2HA GLY 97 2HA GLY 97 -14.497 -3.758 -10.061 615 HA PRO 98 HA PRO 98 -10.266 -4.942 -11.918 616 2HB PRO 98 2HB PRO 98 -10.139 -4.989 -14.217 617 2HG PRO 98 2HG PRO 98 -11.883 -3.935 -15.299 618 2HD PRO 98 2HD PRO 98 -13.507 -4.061 -13.677 619 H GLY 99 H GLY 99 -9.397 -4.298 -10.014 620 1HA GLY 99 1HA GLY 99 -9.289 -1.582 -9.276 621 2HA GLY 99 2HA GLY 99 -8.384 -2.905 -8.569 622 H ALA 100 H ALA 100 -8.427 -0.462 -11.194 623 HA ALA 100 HA ALA 100 -5.587 -1.003 -11.668 624 1HB ALA 100 1HB ALA 100 -6.440 -0.967 -13.779 625 2HB ALA 100 2HB ALA 100 -7.880 -0.041 -13.292 626 3HB ALA 100 3HB ALA 100 -6.337 0.799 -13.578 627 H VAL 101 H VAL 101 -4.219 1.024 -12.048 628 HA VAL 101 HA VAL 101 -4.319 2.609 -9.753 629 HB VAL 101 HB VAL 101 -2.531 3.876 -10.847 630 1HG1 VAL 101 1HG1 VAL 101 -2.399 1.353 -9.929 631 2HG1 VAL 101 2HG1 VAL 101 -1.864 1.072 -11.604 632 3HG1 VAL 101 3HG1 VAL 101 -0.985 2.225 -10.570 633 1HG2 VAL 101 1HG2 VAL 101 -3.514 3.866 -13.138 634 2HG2 VAL 101 2HG2 VAL 101 -1.798 3.397 -13.103 635 3HG2 VAL 101 3HG2 VAL 101 -3.057 2.153 -13.291 636 H ILE 102 H ILE 102 -5.537 3.080 -13.098 637 HA ILE 102 HA ILE 102 -6.176 5.797 -12.772 638 HB ILE 102 HB ILE 102 -5.904 4.887 -14.944 639 2HG1 ILE 102 2HG1 ILE 102 -7.725 6.658 -14.450 640 1HG2 ILE 102 1HG2 ILE 102 -7.994 2.890 -14.098 641 2HG2 ILE 102 2HG2 ILE 102 -7.681 3.237 -15.816 642 3HG2 ILE 102 3HG2 ILE 102 -6.374 2.611 -14.782 643 1HD1 ILE 102 1HD1 ILE 102 -7.091 5.119 -16.894 644 2HD1 ILE 102 2HD1 ILE 102 -8.682 5.918 -16.953 645 3HD1 ILE 102 3HD1 ILE 102 -7.212 6.880 -16.660 646 H LYS 103 H LYS 103 -7.967 2.730 -12.186 647 HA LYS 103 HA LYS 103 -10.418 3.980 -11.612 648 2HB LYS 103 2HB LYS 103 -10.489 1.604 -10.245 649 2HG LYS 103 2HG LYS 103 -12.075 2.256 -11.999 650 2HD LYS 103 2HD LYS 103 -10.088 1.487 -14.142 651 2HE LYS 103 2HE LYS 103 -12.564 1.834 -14.605 652 1HZ LYS 103 1HZ LYS 103 -12.259 4.038 -13.019 653 2HZ LYS 103 2HZ LYS 103 -12.329 4.690 -14.511 654 H GLU 104 H GLU 104 -7.485 3.263 -9.707 655 HA GLU 104 HA GLU 104 -8.399 3.423 -7.198 656 2HB GLU 104 2HB GLU 104 -6.016 5.066 -7.388 657 2HG GLU 104 2HG GLU 104 -6.075 2.087 -6.834 658 HE2 GLU 104 HE2 GLU 104 -3.602 1.943 -6.280 659 H PHE 105 H PHE 105 -8.003 6.102 -9.540 660 HA PHE 105 HA PHE 105 -8.275 8.217 -7.763 661 2HB PHE 105 2HB PHE 105 -9.400 9.143 -10.072 662 HD1 PHE 105 HD1 PHE 105 -6.823 7.797 -11.832 663 HD2 PHE 105 HD2 PHE 105 -7.451 10.291 -8.456 664 HE1 PHE 105 HE1 PHE 105 -4.552 8.813 -12.159 665 HE2 PHE 105 HE2 PHE 105 -5.179 11.307 -8.784 666 HZ PHE 105 HZ PHE 105 -3.757 10.555 -10.631 667 H LYS 106 H LYS 106 -10.708 6.128 -9.379 668 HA LYS 106 HA LYS 106 -12.971 7.580 -9.037 669 2HB LYS 106 2HB LYS 106 -13.322 4.760 -8.319 670 2HG LYS 106 2HG LYS 106 -14.223 6.724 -10.436 671 2HD LYS 106 2HD LYS 106 -13.808 4.773 -11.801 672 2HE LYS 106 2HE LYS 106 -14.326 3.354 -9.308 673 1HZ LYS 106 1HZ LYS 106 -15.822 1.754 -10.013 674 2HZ LYS 106 2HZ LYS 106 -16.488 3.053 -10.734 675 H ILE 107 H ILE 107 -10.920 6.104 -6.567 676 HA ILE 107 HA ILE 107 -12.517 5.738 -4.458 677 HB ILE 107 HB ILE 107 -10.641 6.517 -3.054 678 2HG1 ILE 107 2HG1 ILE 107 -9.851 7.839 -5.584 679 1HG2 ILE 107 1HG2 ILE 107 -10.217 4.354 -3.511 680 2HG2 ILE 107 2HG2 ILE 107 -10.432 4.566 -5.266 681 3HG2 ILE 107 3HG2 ILE 107 -8.896 5.030 -4.494 682 1HD1 ILE 107 1HD1 ILE 107 -10.465 8.748 -3.129 683 2HD1 ILE 107 2HD1 ILE 107 -8.733 8.439 -2.858 684 3HD1 ILE 107 3HD1 ILE 107 -9.247 9.557 -4.144 685 H THR 108 H THR 108 -11.526 8.912 -5.830 686 HA THR 108 HA THR 108 -13.789 10.104 -4.433 687 HB THR 108 HB THR 108 -10.852 10.822 -4.073 688 HG1 THR 108 HG1 THR 108 -12.263 9.433 -2.610 689 1HG2 THR 108 1HG2 THR 108 -12.962 12.728 -4.501 690 2HG2 THR 108 2HG2 THR 108 -12.662 12.666 -2.748 691 3HG2 THR 108 3HG2 THR 108 -11.329 13.045 -3.866 692 H ASP 109 H ASP 109 -11.074 10.491 -6.776 693 HA ASP 109 HA ASP 109 -11.729 12.702 -8.034 694 2HB ASP 109 2HB ASP 109 -11.053 10.004 -9.289 695 HD2 ASP 109 HD2 ASP 109 -10.532 10.028 -11.457 Start of MODEL 12 1 1H MET 1 1H MET 1 8.410 16.475 -5.831 2 HA MET 1 HA MET 1 6.123 16.121 -4.698 3 2HB MET 1 2HB MET 1 6.247 16.062 -7.107 4 2HG MET 1 2HG MET 1 8.542 14.759 -6.966 5 1HE MET 1 1HE MET 1 8.974 12.720 -8.831 6 2HE MET 1 2HE MET 1 9.728 11.994 -7.392 7 3HE MET 1 3HE MET 1 8.587 11.043 -8.373 8 H SER 2 H SER 2 4.730 14.471 -3.838 9 HA SER 2 HA SER 2 6.102 11.980 -3.225 10 2HB SER 2 2HB SER 2 4.246 12.813 -1.109 11 HG SER 2 HG SER 2 7.086 12.489 -0.835 12 H GLU 3 H GLU 3 4.866 10.188 -3.725 13 HA GLU 3 HA GLU 3 1.998 10.496 -3.702 14 2HB GLU 3 2HB GLU 3 1.724 9.582 -5.967 15 2HG GLU 3 2HG GLU 3 3.764 11.850 -6.072 16 HE2 GLU 3 HE2 GLU 3 0.940 10.617 -8.508 17 H VAL 4 H VAL 4 1.137 8.764 -2.639 18 HA VAL 4 HA VAL 4 2.736 6.297 -2.649 19 HB VAL 4 HB VAL 4 2.007 7.917 -0.515 20 1HG1 VAL 4 1HG1 VAL 4 0.503 6.432 0.833 21 2HG1 VAL 4 2HG1 VAL 4 -0.293 7.205 -0.558 22 3HG1 VAL 4 3HG1 VAL 4 0.185 5.493 -0.645 23 1HG2 VAL 4 1HG2 VAL 4 3.899 6.496 -0.396 24 2HG2 VAL 4 2HG2 VAL 4 2.778 5.906 0.854 25 3HG2 VAL 4 3HG2 VAL 4 2.925 5.038 -0.693 26 H ASN 5 H ASN 5 1.799 4.556 -3.592 27 HA ASN 5 HA ASN 5 -1.102 4.672 -3.860 28 2HB ASN 5 2HB ASN 5 -0.969 3.846 -6.092 29 1HD2 ASN 5 1HD2 ASN 5 -1.088 5.553 -7.315 30 2HD2 ASN 5 2HD2 ASN 5 0.101 6.798 -7.512 31 H ILE 6 H ILE 6 -1.967 2.991 -2.635 32 HA ILE 6 HA ILE 6 -0.653 0.399 -2.780 33 HB ILE 6 HB ILE 6 -1.469 0.710 -0.097 34 2HG1 ILE 6 2HG1 ILE 6 0.356 2.965 -0.981 35 1HG2 ILE 6 1HG2 ILE 6 0.199 -0.848 -0.667 36 2HG2 ILE 6 2HG2 ILE 6 1.186 0.378 -1.497 37 3HG2 ILE 6 3HG2 ILE 6 1.037 0.407 0.276 38 1HD1 ILE 6 1HD1 ILE 6 -1.524 4.215 -1.089 39 2HD1 ILE 6 2HD1 ILE 6 -2.517 2.792 -0.692 40 3HD1 ILE 6 3HD1 ILE 6 -1.862 3.812 0.611 41 H VAL 7 H VAL 7 -2.215 -0.850 -3.658 42 HA VAL 7 HA VAL 7 -4.882 -0.627 -2.464 43 HB VAL 7 HB VAL 7 -5.950 -0.491 -4.477 44 1HG1 VAL 7 1HG1 VAL 7 -5.206 1.442 -5.439 45 2HG1 VAL 7 2HG1 VAL 7 -4.153 1.433 -4.003 46 3HG1 VAL 7 3HG1 VAL 7 -3.527 0.865 -5.570 47 1HG2 VAL 7 1HG2 VAL 7 -3.461 -1.640 -5.775 48 2HG2 VAL 7 2HG2 VAL 7 -5.046 -2.424 -5.570 49 3HG2 VAL 7 3HG2 VAL 7 -4.872 -1.045 -6.683 50 H VAL 8 H VAL 8 -5.576 -2.552 -1.681 51 HA VAL 8 HA VAL 8 -4.340 -4.956 -2.835 52 HB VAL 8 HB VAL 8 -5.052 -4.430 0.057 53 1HG1 VAL 8 1HG1 VAL 8 -4.206 -6.867 -1.452 54 2HG1 VAL 8 2HG1 VAL 8 -3.530 -6.621 0.177 55 3HG1 VAL 8 3HG1 VAL 8 -5.293 -6.703 -0.052 56 1HG2 VAL 8 1HG2 VAL 8 -3.111 -3.176 -0.292 57 2HG2 VAL 8 2HG2 VAL 8 -2.489 -4.739 0.291 58 3HG2 VAL 8 3HG2 VAL 8 -2.438 -4.353 -1.445 59 H ASN 9 H ASN 9 -5.882 -5.963 -4.020 60 HA ASN 9 HA ASN 9 -8.483 -6.210 -2.747 61 2HB ASN 9 2HB ASN 9 -9.322 -4.863 -4.410 62 1HD2 ASN 9 1HD2 ASN 9 -6.758 -6.516 -6.247 63 2HD2 ASN 9 2HD2 ASN 9 -5.972 -5.096 -6.855 64 H GLY 10 H GLY 10 -8.629 -8.430 -2.364 65 1HA GLY 10 1HA GLY 10 -9.118 -10.520 -3.527 66 2HA GLY 10 2HA GLY 10 -7.698 -10.238 -4.516 67 H ARG 11 H ARG 11 -7.168 -9.101 -1.320 68 HA ARG 11 HA ARG 11 -5.773 -9.738 0.213 69 2HB ARG 11 2HB ARG 11 -6.204 -12.103 1.171 70 2HG ARG 11 2HG ARG 11 -8.939 -11.200 0.998 71 2HD ARG 11 2HD ARG 11 -7.699 -10.101 3.307 72 HE ARG 11 HE ARG 11 -9.771 -11.781 2.893 73 1HH1 ARG 11 1HH1 ARG 11 -6.799 -12.309 4.749 74 2HH1 ARG 11 2HH1 ARG 11 -7.538 -13.422 5.851 75 2HH2 ARG 11 2HH2 ARG 11 -9.860 -13.960 5.596 76 H GLU 12 H GLU 12 -4.222 -9.603 -1.880 77 HA GLU 12 HA GLU 12 -2.933 -12.204 -2.148 78 2HB GLU 12 2HB GLU 12 -3.572 -11.528 -4.322 79 2HG GLU 12 2HG GLU 12 -2.793 -9.112 -5.084 80 HE2 GLU 12 HE2 GLU 12 -5.475 -7.715 -3.299 81 H ALA 13 H ALA 13 -0.525 -12.218 -2.211 82 HA ALA 13 HA ALA 13 0.792 -9.837 -1.246 83 1HB ALA 13 1HB ALA 13 1.091 -10.452 0.909 84 2HB ALA 13 2HB ALA 13 -0.258 -11.581 0.640 85 3HB ALA 13 3HB ALA 13 1.422 -12.144 0.469 86 H GLY 14 H GLY 14 3.263 -10.540 -0.817 87 1HA GLY 14 1HA GLY 14 4.617 -12.601 -1.693 88 2HA GLY 14 2HA GLY 14 4.027 -12.011 -3.233 89 H SER 15 H SER 15 5.236 -10.380 -0.209 90 HA SER 15 HA SER 15 7.502 -9.423 -1.653 91 2HB SER 15 2HB SER 15 6.298 -7.586 -2.380 92 HG SER 15 HG SER 15 4.529 -6.652 -1.169 93 H LYS 16 H LYS 16 8.865 -7.931 -0.086 94 HA LYS 16 HA LYS 16 8.887 -9.290 2.457 95 2HB LYS 16 2HB LYS 16 10.964 -8.979 1.197 96 2HG LYS 16 2HG LYS 16 11.345 -6.152 1.832 97 2HD LYS 16 2HD LYS 16 11.640 -6.249 -0.823 98 2HE LYS 16 2HE LYS 16 13.355 -7.270 1.411 99 1HZ LYS 16 1HZ LYS 16 14.742 -8.465 0.107 100 2HZ LYS 16 2HZ LYS 16 13.504 -8.614 -0.942 101 H SER 17 H SER 17 6.934 -6.974 1.323 102 HA SER 17 HA SER 17 7.308 -4.872 3.112 103 2HB SER 17 2HB SER 17 5.934 -4.861 0.967 104 HG SER 17 HG SER 17 4.469 -6.476 1.014 105 H LYS 18 H LYS 18 6.317 -8.111 3.599 106 HA LYS 18 HA LYS 18 4.355 -7.705 5.595 107 2HB LYS 18 2HB LYS 18 5.215 -10.177 6.126 108 2HG LYS 18 2HG LYS 18 3.596 -9.130 3.778 109 2HD LYS 18 2HD LYS 18 2.789 -11.696 3.876 110 2HE LYS 18 2HE LYS 18 5.333 -11.364 2.330 111 1HZ LYS 18 1HZ LYS 18 3.319 -11.772 0.628 112 2HZ LYS 18 2HZ LYS 18 4.075 -12.997 1.390 113 H GLY 19 H GLY 19 7.685 -7.024 5.490 114 1HA GLY 19 1HA GLY 19 8.302 -7.699 8.225 115 2HA GLY 19 2HA GLY 19 9.296 -6.813 7.084 116 H CYS 20 H CYS 20 9.837 -4.964 8.223 117 HA CYS 20 HA CYS 20 7.604 -3.490 9.406 118 2HB CYS 20 2HB CYS 20 9.625 -2.211 10.500 119 HG CYS 20 HG CYS 20 9.895 -4.031 12.500 120 H ALA 21 H ALA 21 8.150 -0.946 9.311 121 HA ALA 21 HA ALA 21 8.195 -0.284 6.562 122 1HB ALA 21 1HB ALA 21 8.575 1.704 8.802 123 2HB ALA 21 2HB ALA 21 7.632 1.862 7.300 124 3HB ALA 21 3HB ALA 21 7.027 0.842 8.628 125 H LEU 22 H LEU 22 10.526 0.103 9.305 126 HA LEU 22 HA LEU 22 12.464 1.389 7.685 127 2HB LEU 22 2HB LEU 22 13.932 0.670 9.716 128 HG LEU 22 HG LEU 22 13.314 2.514 10.997 129 1HD1 LEU 22 1HD1 LEU 22 12.193 3.267 8.291 130 2HD1 LEU 22 2HD1 LEU 22 13.022 4.310 9.470 131 3HD1 LEU 22 3HD1 LEU 22 13.929 3.040 8.612 132 1HD2 LEU 22 1HD2 LEU 22 11.249 2.853 11.729 133 2HD2 LEU 22 2HD2 LEU 22 10.689 3.232 10.081 134 3HD2 LEU 22 3HD2 LEU 22 10.679 1.549 10.660 135 H CYS 23 H CYS 23 12.323 -1.937 9.153 136 HA CYS 23 HA CYS 23 14.064 -2.774 6.949 137 2HB CYS 23 2HB CYS 23 14.434 -4.766 8.696 138 HG CYS 23 HG CYS 23 15.675 -1.768 8.285 139 H GLY 24 H GLY 24 13.332 -4.497 5.661 140 1HA GLY 24 1HA GLY 24 10.691 -5.614 6.398 141 2HA GLY 24 2HA GLY 24 11.170 -5.212 4.761 142 H ALA 25 H ALA 25 12.504 -7.097 7.578 143 HA ALA 25 HA ALA 25 13.318 -9.141 5.631 144 1HB ALA 25 1HB ALA 25 15.199 -8.152 6.814 145 2HB ALA 25 2HB ALA 25 14.399 -8.412 8.382 146 3HB ALA 25 3HB ALA 25 14.946 -9.806 7.419 147 H THR 26 H THR 26 11.158 -8.309 8.217 148 HA THR 26 HA THR 26 10.712 -11.099 8.936 149 HB THR 26 HB THR 26 9.498 -8.478 9.960 150 HG1 THR 26 HG1 THR 26 11.578 -8.466 10.754 151 1HG2 THR 26 1HG2 THR 26 8.311 -10.802 10.417 152 2HG2 THR 26 2HG2 THR 26 9.722 -11.115 11.455 153 3HG2 THR 26 3HG2 THR 26 8.656 -9.731 11.796 154 H TRP 27 H TRP 27 8.620 -12.107 8.811 155 HA TRP 27 HA TRP 27 6.943 -10.905 6.716 156 2HB TRP 27 2HB TRP 27 8.471 -12.976 6.156 157 HD1 TRP 27 HD1 TRP 27 7.568 -14.065 9.120 158 HE1 TRP 27 HE1 TRP 27 6.701 -16.536 9.444 159 HE3 TRP 27 HE3 TRP 27 6.256 -14.802 4.263 160 HZ2 TRP 27 HZ2 TRP 27 5.591 -18.479 7.673 161 HZ3 TRP 27 HZ3 TRP 27 5.288 -17.014 3.643 162 HH2 TRP 27 HH2 TRP 27 4.949 -18.818 5.258 163 H GLY 28 H GLY 28 4.657 -12.069 6.812 164 1HA GLY 28 1HA GLY 28 3.744 -13.294 9.139 165 2HA GLY 28 2HA GLY 28 3.578 -11.565 9.375 166 H ASP 29 H ASP 29 1.562 -13.850 8.904 167 HA ASP 29 HA ASP 29 0.342 -12.756 6.499 168 2HB ASP 29 2HB ASP 29 -0.940 -14.828 6.372 169 HD2 ASP 29 HD2 ASP 29 0.505 -15.055 4.752 170 H TYR 30 H TYR 30 -0.207 -13.821 9.923 171 HA TYR 30 HA TYR 30 -2.894 -12.890 10.009 172 2HB TYR 30 2HB TYR 30 -2.545 -13.446 12.436 173 HD1 TYR 30 HD1 TYR 30 0.170 -15.500 12.320 174 HD2 TYR 30 HD2 TYR 30 -3.673 -15.118 10.478 175 HE1 TYR 30 HE1 TYR 30 0.154 -17.993 11.818 176 HE2 TYR 30 HE2 TYR 30 -3.675 -17.612 9.982 177 HH TYR 30 HH TYR 30 -2.695 -19.530 10.410 178 H HIS 31 H HIS 31 -0.063 -11.173 9.674 179 HA HIS 31 HA HIS 31 -0.737 -9.131 11.610 180 2HB HIS 31 2HB HIS 31 1.350 -8.080 10.904 181 HD1 HIS 31 HD1 HIS 31 3.131 -8.641 12.564 182 HD2 HIS 31 HD2 HIS 31 1.183 -12.065 11.123 183 HE1 HIS 31 HE1 HIS 31 4.096 -10.614 13.864 184 H ALA 32 H ALA 32 -1.282 -6.948 11.031 185 HA ALA 32 HA ALA 32 -2.726 -6.842 8.513 186 1HB ALA 32 1HB ALA 32 -2.655 -5.201 11.057 187 2HB ALA 32 2HB ALA 32 -3.449 -4.589 9.586 188 3HB ALA 32 3HB ALA 32 -4.016 -6.096 10.342 189 H ASP 33 H ASP 33 -2.019 -5.758 6.729 190 HA ASP 33 HA ASP 33 0.559 -4.521 6.951 191 2HB ASP 33 2HB ASP 33 0.426 -4.409 4.465 192 HD2 ASP 33 HD2 ASP 33 0.964 -7.747 3.780 193 H PHE 34 H PHE 34 0.937 -2.286 6.095 194 HA PHE 34 HA PHE 34 -1.498 -0.653 6.260 195 2HB PHE 34 2HB PHE 34 0.307 1.124 6.922 196 HD1 PHE 34 HD1 PHE 34 1.600 0.929 9.365 197 HD2 PHE 34 HD2 PHE 34 -1.646 -1.446 8.012 198 HE1 PHE 34 HE1 PHE 34 0.953 0.458 11.743 199 HE2 PHE 34 HE2 PHE 34 -2.293 -1.917 10.390 200 HZ PHE 34 HZ PHE 34 -0.985 -0.960 12.228 201 H LEU 35 H LEU 35 -0.874 1.688 5.202 202 HA LEU 35 HA LEU 35 -0.642 1.137 2.448 203 2HB LEU 35 2HB LEU 35 -0.743 3.586 2.216 204 HG LEU 35 HG LEU 35 -2.720 3.162 4.390 205 1HD1 LEU 35 1HD1 LEU 35 -2.446 4.970 2.380 206 2HD1 LEU 35 2HD1 LEU 35 -3.569 3.806 1.639 207 3HD1 LEU 35 3HD1 LEU 35 -3.983 4.579 3.188 208 1HD2 LEU 35 1HD2 LEU 35 -4.077 1.599 3.158 209 2HD2 LEU 35 2HD2 LEU 35 -2.889 1.547 1.833 210 3HD2 LEU 35 3HD2 LEU 35 -2.469 0.887 3.431 211 H GLY 36 H GLY 36 1.640 2.030 5.011 212 1HA GLY 36 1HA GLY 36 3.726 2.952 3.328 213 2HA GLY 36 2HA GLY 36 3.860 2.413 4.990 214 H GLU 37 H GLU 37 2.306 -0.151 3.686 215 HA GLU 37 HA GLU 37 2.851 -2.101 2.886 216 2HB GLU 37 2HB GLU 37 5.539 -1.649 1.827 217 2HG GLU 37 2HG GLU 37 2.892 -1.944 0.343 218 HE2 GLU 37 HE2 GLU 37 6.336 -2.798 0.400 219 H ASP 38 H ASP 38 3.233 -1.749 5.548 220 HA ASP 38 HA ASP 38 5.489 -3.473 6.002 221 2HB ASP 38 2HB ASP 38 6.336 -1.133 6.365 222 HD2 ASP 38 HD2 ASP 38 4.360 1.019 7.063 223 H LEU 39 H LEU 39 5.326 -4.449 8.282 224 HA LEU 39 HA LEU 39 2.529 -4.402 9.173 225 2HB LEU 39 2HB LEU 39 3.127 -6.687 10.109 226 HG LEU 39 HG LEU 39 3.165 -7.843 7.816 227 1HD1 LEU 39 1HD1 LEU 39 0.994 -7.978 8.238 228 2HD1 LEU 39 2HD1 LEU 39 1.099 -6.542 9.285 229 3HD1 LEU 39 3HD1 LEU 39 0.749 -6.354 7.550 230 1HD2 LEU 39 1HD2 LEU 39 2.777 -6.581 5.859 231 2HD2 LEU 39 2HD2 LEU 39 2.532 -5.076 6.778 232 3HD2 LEU 39 3HD2 LEU 39 4.155 -5.803 6.674 233 H PHE 40 H PHE 40 2.114 -3.589 11.161 234 HA PHE 40 HA PHE 40 4.443 -3.055 12.845 235 2HB PHE 40 2HB PHE 40 2.383 -1.458 11.923 236 HD1 PHE 40 HD1 PHE 40 2.014 -0.739 15.304 237 HD2 PHE 40 HD2 PHE 40 0.363 -3.189 12.258 238 HE1 PHE 40 HE1 PHE 40 -0.124 -0.917 16.607 239 HE2 PHE 40 HE2 PHE 40 -1.776 -3.368 13.561 240 HZ PHE 40 HZ PHE 40 -1.993 -2.230 15.720 241 H PHE 41 H PHE 41 2.780 -5.680 12.503 242 HA PHE 41 HA PHE 41 1.938 -5.900 15.304 243 2HB PHE 41 2HB PHE 41 1.360 -7.688 12.870 244 HD1 PHE 41 HD1 PHE 41 0.201 -9.635 13.304 245 HD2 PHE 41 HD2 PHE 41 0.066 -6.507 16.169 246 HE1 PHE 41 HE1 PHE 41 -1.108 -11.112 14.855 247 HE2 PHE 41 HE2 PHE 41 -1.244 -7.985 17.719 248 HZ PHE 41 HZ PHE 41 -1.814 -10.269 17.044 249 H CYS 42 H CYS 42 4.586 -6.444 13.372 250 HA CYS 42 HA CYS 42 5.153 -9.071 14.485 251 2HB CYS 42 2HB CYS 42 5.665 -9.068 12.202 252 HG CYS 42 HG CYS 42 7.785 -6.988 11.638 253 H CYS 43 H CYS 43 6.592 -5.743 14.150 254 HA CYS 43 HA CYS 43 8.163 -6.331 16.550 255 2HB CYS 43 2HB CYS 43 9.618 -4.428 15.788 256 HG CYS 43 HG CYS 43 9.724 -6.125 13.131 257 H ASP 44 H ASP 44 6.343 -3.724 14.778 258 HA ASP 44 HA ASP 44 5.159 -2.042 15.461 259 2HB ASP 44 2HB ASP 44 4.023 -4.017 16.742 260 HD2 ASP 44 HD2 ASP 44 4.058 -2.300 19.970 261 H ILE 45 H ILE 45 8.144 -2.539 16.402 262 HA ILE 45 HA ILE 45 8.174 -0.621 18.616 263 HB ILE 45 HB ILE 45 9.586 -3.045 18.068 264 2HG1 ILE 45 2HG1 ILE 45 10.255 -2.825 20.390 265 1HG2 ILE 45 1HG2 ILE 45 11.287 -0.553 18.174 266 2HG2 ILE 45 2HG2 ILE 45 11.887 -2.148 18.686 267 3HG2 ILE 45 3HG2 ILE 45 11.346 -1.898 17.008 268 1HD1 ILE 45 1HD1 ILE 45 9.541 0.063 19.896 269 2HD1 ILE 45 2HD1 ILE 45 9.245 -0.624 21.511 270 3HD1 ILE 45 3HD1 ILE 45 10.890 -0.623 20.832 271 H CYS 46 H CYS 46 10.044 -1.455 15.608 272 HA CYS 46 HA CYS 46 10.783 1.350 15.441 273 2HB CYS 46 2HB CYS 46 11.778 -0.960 13.745 274 HG CYS 46 HG CYS 46 12.396 0.903 12.312 275 H ALA 47 H ALA 47 8.376 -0.833 14.406 276 HA ALA 47 HA ALA 47 7.989 0.549 11.856 277 1HB ALA 47 1HB ALA 47 6.159 -1.354 11.744 278 2HB ALA 47 2HB ALA 47 7.873 -1.741 11.457 279 3HB ALA 47 3HB ALA 47 7.135 -2.086 13.039 280 H ALA 48 H ALA 48 5.532 0.926 11.343 281 HA ALA 48 HA ALA 48 3.551 1.803 11.874 282 1HB ALA 48 1HB ALA 48 2.620 1.043 13.774 283 2HB ALA 48 2HB ALA 48 4.216 0.404 14.238 284 3HB ALA 48 3HB ALA 48 3.721 2.030 14.765 285 H GLU 49 H GLU 49 5.120 3.527 10.858 286 HA GLU 49 HA GLU 49 5.857 5.555 12.749 287 2HB GLU 49 2HB GLU 49 6.030 5.766 9.723 288 2HG GLU 49 2HG GLU 49 7.216 7.135 12.104 289 HE2 GLU 49 HE2 GLU 49 8.522 7.266 8.811 290 H PHE 50 H PHE 50 5.011 7.733 12.754 291 HA PHE 50 HA PHE 50 2.224 7.813 12.180 292 2HB PHE 50 2HB PHE 50 2.680 10.260 12.999 293 HD1 PHE 50 HD1 PHE 50 5.156 8.550 14.985 294 HD2 PHE 50 HD2 PHE 50 0.985 9.119 14.449 295 HE1 PHE 50 HE1 PHE 50 4.740 7.672 17.299 296 HE2 PHE 50 HE2 PHE 50 0.569 8.240 16.764 297 HZ PHE 50 HZ PHE 50 2.451 7.527 18.160 298 H MET 51 H MET 51 4.836 8.036 10.139 299 HA MET 51 HA MET 51 4.239 10.387 8.741 300 2HB MET 51 2HB MET 51 5.467 8.577 6.940 301 2HG MET 51 2HG MET 51 6.364 10.799 7.304 302 1HE MET 51 1HE MET 51 8.919 10.584 10.458 303 2HE MET 51 2HE MET 51 7.843 9.441 11.298 304 3HE MET 51 3HE MET 51 8.401 9.088 9.645 305 H ASN 52 H ASN 52 2.813 7.184 8.808 306 HA ASN 52 HA ASN 52 1.659 7.482 6.204 307 2HB ASN 52 2HB ASN 52 0.334 5.364 7.483 308 1HD2 ASN 52 1HD2 ASN 52 0.133 4.294 5.674 309 2HD2 ASN 52 2HD2 ASN 52 1.395 3.831 4.581 310 H MET 53 H MET 53 -0.887 7.031 6.122 311 HA MET 53 HA MET 53 -2.060 8.913 7.972 312 2HB MET 53 2HB MET 53 -3.280 7.515 5.528 313 2HG MET 53 2HG MET 53 -4.368 9.309 7.502 314 1HE MET 53 1HE MET 53 -2.639 12.309 6.641 315 2HE MET 53 2HE MET 53 -2.163 10.605 6.847 316 3HE MET 53 3HE MET 53 -1.940 11.408 5.274 317 H MET 54 H MET 54 -3.915 8.442 9.278 318 HA MET 54 HA MET 54 -3.916 6.047 10.527 319 2HB MET 54 2HB MET 54 -6.524 6.849 10.880 320 2HG MET 54 2HG MET 54 -5.592 8.545 12.569 321 1HE MET 54 1HE MET 54 -5.144 7.625 15.109 322 2HE MET 54 2HE MET 54 -6.693 7.439 14.251 323 3HE MET 54 3HE MET 54 -6.040 6.090 15.211 324 H ASP 55 H ASP 55 -5.656 7.004 7.554 325 HA ASP 55 HA ASP 55 -7.582 5.183 7.364 326 2HB ASP 55 2HB ASP 55 -5.953 5.279 4.894 327 HD2 ASP 55 HD2 ASP 55 -8.387 6.239 3.086 328 H GLU 56 H GLU 56 -4.042 4.707 7.035 329 HA GLU 56 HA GLU 56 -3.866 2.348 5.784 330 2HB GLU 56 2HB GLU 56 -1.916 3.621 6.559 331 2HG GLU 56 2HG GLU 56 -3.243 3.612 9.052 332 HE2 GLU 56 HE2 GLU 56 -3.299 1.465 9.804 333 H ALA 57 H ALA 57 -5.012 2.963 9.112 334 HA ALA 57 HA ALA 57 -4.929 0.295 9.991 335 1HB ALA 57 1HB ALA 57 -6.283 2.852 10.818 336 2HB ALA 57 2HB ALA 57 -6.813 1.320 11.554 337 3HB ALA 57 3HB ALA 57 -5.118 1.843 11.709 338 H PHE 58 H PHE 58 -7.639 2.335 8.680 339 HA PHE 58 HA PHE 58 -9.513 0.280 8.673 340 2HB PHE 58 2HB PHE 58 -10.135 2.008 6.542 341 HD1 PHE 58 HD1 PHE 58 -12.366 1.654 7.242 342 HD2 PHE 58 HD2 PHE 58 -9.597 3.464 9.899 343 HE1 PHE 58 HE1 PHE 58 -14.247 2.262 8.789 344 HE2 PHE 58 HE2 PHE 58 -11.478 4.072 11.446 345 HZ PHE 58 HZ PHE 58 -13.781 3.464 10.872 346 H LYS 59 H LYS 59 -6.995 1.238 6.315 347 HA LYS 59 HA LYS 59 -7.852 0.032 4.050 348 2HB LYS 59 2HB LYS 59 -5.391 1.000 5.112 349 2HG LYS 59 2HG LYS 59 -4.736 -1.437 5.211 350 2HD LYS 59 2HD LYS 59 -6.142 -1.519 2.719 351 2HE LYS 59 2HE LYS 59 -4.207 -2.808 1.482 352 1HZ LYS 59 1HZ LYS 59 -3.391 -0.306 0.888 353 2HZ LYS 59 2HZ LYS 59 -4.729 -0.989 0.258 354 H HIS 60 H HIS 60 -6.241 -1.541 6.881 355 HA HIS 60 HA HIS 60 -6.209 -4.089 5.721 356 2HB HIS 60 2HB HIS 60 -5.823 -2.934 8.444 357 HD1 HIS 60 HD1 HIS 60 -4.577 -6.357 7.977 358 HD2 HIS 60 HD2 HIS 60 -7.943 -4.552 9.711 359 HE1 HIS 60 HE1 HIS 60 -5.632 -8.119 9.493 360 H THR 61 H THR 61 -8.449 -2.574 8.150 361 HA THR 61 HA THR 61 -10.193 -4.718 8.358 362 HB THR 61 HB THR 61 -10.694 -1.701 8.563 363 HG1 THR 61 HG1 THR 61 -9.773 -3.890 10.277 364 1HG2 THR 61 1HG2 THR 61 -12.507 -3.911 8.858 365 2HG2 THR 61 2HG2 THR 61 -12.075 -3.370 10.497 366 3HG2 THR 61 3HG2 THR 61 -12.779 -2.219 9.337 367 H ALA 62 H ALA 62 -9.923 -2.200 5.846 368 HA ALA 62 HA ALA 62 -12.417 -2.702 4.660 369 1HB ALA 62 1HB ALA 62 -11.011 -1.726 2.615 370 2HB ALA 62 2HB ALA 62 -11.480 -0.698 3.990 371 3HB ALA 62 3HB ALA 62 -9.834 -1.370 3.902 372 H ARG 63 H ARG 63 -9.070 -3.825 3.777 373 HA ARG 63 HA ARG 63 -10.100 -5.597 1.856 374 2HB ARG 63 2HB ARG 63 -7.708 -4.509 2.075 375 2HG ARG 63 2HG ARG 63 -7.237 -7.143 3.541 376 2HD ARG 63 2HD ARG 63 -5.501 -4.823 2.633 377 HE ARG 63 HE ARG 63 -4.656 -4.991 4.845 378 1HH1 ARG 63 1HH1 ARG 63 -4.958 -8.204 3.384 379 2HH1 ARG 63 2HH1 ARG 63 -4.022 -8.988 4.612 380 2HH2 ARG 63 2HH2 ARG 63 -3.127 -7.686 6.415 381 H HIS 64 H HIS 64 -10.645 -5.704 5.034 382 HA HIS 64 HA HIS 64 -9.719 -8.308 5.708 383 2HB HIS 64 2HB HIS 64 -11.875 -6.691 7.083 384 HD1 HIS 64 HD1 HIS 64 -11.456 -7.062 9.831 385 HD2 HIS 64 HD2 HIS 64 -10.138 -10.053 7.202 386 HE1 HIS 64 HE1 HIS 64 -11.167 -9.172 11.236 387 H ASN 65 H ASN 65 -13.071 -6.947 5.294 388 HA ASN 65 HA ASN 65 -13.818 -9.617 4.393 389 2HB ASN 65 2HB ASN 65 -14.997 -8.956 6.460 390 1HD2 ASN 65 1HD2 ASN 65 -13.999 -6.862 6.966 391 2HD2 ASN 65 2HD2 ASN 65 -14.945 -5.417 6.826 392 H VAL 66 H VAL 66 -14.325 -6.043 4.030 393 HA VAL 66 HA VAL 66 -15.593 -6.491 1.443 394 HB VAL 66 HB VAL 66 -16.400 -4.923 3.362 395 1HG1 VAL 66 1HG1 VAL 66 -13.904 -3.758 2.885 396 2HG1 VAL 66 2HG1 VAL 66 -15.067 -2.656 2.110 397 3HG1 VAL 66 3HG1 VAL 66 -15.243 -3.067 3.833 398 1HG2 VAL 66 1HG2 VAL 66 -16.870 -5.064 0.642 399 2HG2 VAL 66 2HG2 VAL 66 -17.810 -4.110 1.815 400 3HG2 VAL 66 3HG2 VAL 66 -16.495 -3.342 0.892 401 H ASP 67 H ASP 67 -14.756 -3.920 0.333 402 HA ASP 67 HA ASP 67 -11.894 -4.337 0.087 403 2HB ASP 67 2HB ASP 67 -13.342 -3.586 -2.415 404 HD2 ASP 67 HD2 ASP 67 -12.029 -3.885 -4.018 405 H GLU 68 H GLU 68 -10.783 -2.339 0.016 406 HA GLU 68 HA GLU 68 -12.306 -0.001 -0.731 407 2HB GLU 68 2HB GLU 68 -10.691 0.065 1.835 408 2HG GLU 68 2HG GLU 68 -11.525 2.169 0.541 409 HE2 GLU 68 HE2 GLU 68 -14.309 2.451 2.589 410 H LEU 69 H LEU 69 -11.020 1.636 -1.673 411 HA LEU 69 HA LEU 69 -8.132 1.182 -1.616 412 2HB LEU 69 2HB LEU 69 -8.495 0.169 -3.619 413 HG LEU 69 HG LEU 69 -10.050 0.958 -5.394 414 1HD1 LEU 69 1HD1 LEU 69 -10.650 -0.512 -3.024 415 2HD1 LEU 69 2HD1 LEU 69 -12.097 0.414 -3.494 416 3HD1 LEU 69 3HD1 LEU 69 -11.331 -0.693 -4.659 417 1HD2 LEU 69 1HD2 LEU 69 -11.660 2.604 -5.083 418 2HD2 LEU 69 2HD2 LEU 69 -11.501 2.572 -3.310 419 3HD2 LEU 69 3HD2 LEU 69 -10.218 3.300 -4.307 420 H HIS 70 H HIS 70 -6.983 3.031 -1.281 421 HA HIS 70 HA HIS 70 -8.243 5.547 -1.968 422 2HB HIS 70 2HB HIS 70 -7.697 4.611 0.817 423 HD1 HIS 70 HD1 HIS 70 -6.027 5.918 2.139 424 HD2 HIS 70 HD2 HIS 70 -8.148 8.335 -0.555 425 HE1 HIS 70 HE1 HIS 70 -5.254 8.313 2.564 426 H ILE 71 H ILE 71 -6.742 7.155 -2.513 427 HA ILE 71 HA ILE 71 -3.932 6.481 -2.071 428 HB ILE 71 HB ILE 71 -5.163 7.230 -4.725 429 2HG1 ILE 71 2HG1 ILE 71 -4.384 5.042 -5.473 430 1HG2 ILE 71 1HG2 ILE 71 -3.180 8.286 -4.983 431 2HG2 ILE 71 2HG2 ILE 71 -2.377 7.339 -3.708 432 3HG2 ILE 71 3HG2 ILE 71 -2.612 6.634 -5.326 433 1HD1 ILE 71 1HD1 ILE 71 -2.859 5.128 -3.041 434 2HD1 ILE 71 2HD1 ILE 71 -3.993 3.761 -2.922 435 3HD1 ILE 71 3HD1 ILE 71 -2.860 3.862 -4.292 436 H ASP 72 H ASP 72 -2.750 8.194 -1.351 437 HA ASP 72 HA ASP 72 -3.779 10.832 -1.924 438 2HB ASP 72 2HB ASP 72 -4.582 9.885 0.389 439 HD2 ASP 72 HD2 ASP 72 -1.836 8.698 0.379 440 H GLY 73 H GLY 73 -2.048 12.382 -2.060 441 1HA GLY 73 1HA GLY 73 0.639 11.417 -1.312 442 2HA GLY 73 2HA GLY 73 0.323 12.045 -2.917 443 H ASN 74 H ASN 74 1.789 12.929 -0.182 444 HA ASN 74 HA ASN 74 1.118 15.703 -0.628 445 2HB ASN 74 2HB ASN 74 1.223 14.398 2.144 446 1HD2 ASN 74 1HD2 ASN 74 0.349 15.912 3.788 447 2HD2 ASN 74 2HD2 ASN 74 0.855 17.569 3.744 448 H TYR 75 H TYR 75 2.985 17.060 -0.341 449 HA TYR 75 HA TYR 75 5.488 15.779 -0.428 450 2HB TYR 75 2HB TYR 75 4.255 18.539 -0.276 451 HD1 TYR 75 HD1 TYR 75 5.025 19.931 1.464 452 HD2 TYR 75 HD2 TYR 75 7.840 17.629 -0.790 453 HE1 TYR 75 HE1 TYR 75 6.944 21.165 2.587 454 HE2 TYR 75 HE2 TYR 75 9.749 18.870 0.340 455 HH TYR 75 HH TYR 75 10.037 21.132 1.416 456 H GLN 76 H GLN 76 3.417 16.308 2.203 457 HA GLN 76 HA GLN 76 5.686 16.575 4.009 458 2HB GLN 76 2HB GLN 76 2.923 16.793 5.104 459 2HG GLN 76 2HG GLN 76 4.113 18.981 5.966 460 1HE2 GLN 76 1HE2 GLN 76 6.525 17.928 7.312 461 2HE2 GLN 76 2HE2 GLN 76 5.976 16.794 8.502 462 H LEU 77 H LEU 77 3.752 14.265 2.557 463 HA LEU 77 HA LEU 77 2.786 12.625 4.479 464 2HB LEU 77 2HB LEU 77 4.322 11.533 2.142 465 HG LEU 77 HG LEU 77 2.053 10.627 3.789 466 1HD1 LEU 77 1HD1 LEU 77 1.500 11.289 1.083 467 2HD1 LEU 77 2HD1 LEU 77 1.570 9.515 1.201 468 3HD1 LEU 77 3HD1 LEU 77 0.468 10.433 2.253 469 1HD2 LEU 77 1HD2 LEU 77 3.532 8.903 1.847 470 2HD2 LEU 77 2HD2 LEU 77 4.419 9.579 3.234 471 3HD2 LEU 77 3HD2 LEU 77 2.984 8.560 3.505 472 H GLY 78 H GLY 78 6.128 12.288 3.078 473 1HA GLY 78 1HA GLY 78 7.660 12.317 5.273 474 2HA GLY 78 2HA GLY 78 6.931 10.727 5.390 475 H ARG 79 H ARG 79 7.616 12.390 2.285 476 HA ARG 79 HA ARG 79 8.753 11.744 0.556 477 2HB ARG 79 2HB ARG 79 10.574 12.672 2.078 478 2HG ARG 79 2HG ARG 79 10.628 9.786 2.866 479 2HD ARG 79 2HD ARG 79 12.773 9.703 1.846 480 HE ARG 79 HE ARG 79 12.740 12.576 2.095 481 1HH1 ARG 79 1HH1 ARG 79 14.986 9.839 1.974 482 2HH1 ARG 79 2HH1 ARG 79 16.296 10.782 1.345 483 2HH2 ARG 79 2HH2 ARG 79 15.968 13.120 0.935 484 H ASN 80 H ASN 80 7.023 9.691 1.534 485 HA ASN 80 HA ASN 80 8.650 7.316 1.079 486 2HB ASN 80 2HB ASN 80 5.880 6.947 2.119 487 1HD2 ASN 80 1HD2 ASN 80 6.382 5.845 4.459 488 2HD2 ASN 80 2HD2 ASN 80 7.485 4.513 4.358 489 H VAL 81 H VAL 81 8.290 6.378 -0.939 490 HA VAL 81 HA VAL 81 5.684 6.907 -2.194 491 HB VAL 81 HB VAL 81 8.472 6.800 -3.325 492 1HG1 VAL 81 1HG1 VAL 81 5.918 6.775 -4.962 493 2HG1 VAL 81 2HG1 VAL 81 7.593 6.737 -5.562 494 3HG1 VAL 81 3HG1 VAL 81 6.935 5.343 -4.672 495 1HG2 VAL 81 1HG2 VAL 81 7.839 8.968 -4.302 496 2HG2 VAL 81 2HG2 VAL 81 6.229 8.835 -3.554 497 3HG2 VAL 81 3HG2 VAL 81 7.677 8.978 -2.530 498 H LEU 82 H LEU 82 4.461 5.096 -2.048 499 HA LEU 82 HA LEU 82 5.832 2.560 -2.603 500 2HB LEU 82 2HB LEU 82 4.278 1.487 -1.019 501 HG LEU 82 HG LEU 82 5.218 2.221 1.092 502 1HD1 LEU 82 1HD1 LEU 82 7.460 1.681 0.696 503 2HD1 LEU 82 2HD1 LEU 82 6.579 0.920 -0.650 504 3HD1 LEU 82 3HD1 LEU 82 7.460 2.444 -0.912 505 1HD2 LEU 82 1HD2 LEU 82 6.880 4.394 0.019 506 2HD2 LEU 82 2HD2 LEU 82 5.138 4.758 0.066 507 3HD2 LEU 82 3HD2 LEU 82 5.987 4.272 1.554 508 H LEU 83 H LEU 83 5.104 1.632 -4.434 509 HA LEU 83 HA LEU 83 2.374 2.339 -5.259 510 2HB LEU 83 2HB LEU 83 4.770 2.816 -6.578 511 HG LEU 83 HG LEU 83 3.487 0.333 -7.646 512 1HD1 LEU 83 1HD1 LEU 83 3.396 0.932 -9.794 513 2HD1 LEU 83 2HD1 LEU 83 3.421 2.611 -9.201 514 3HD1 LEU 83 3HD1 LEU 83 4.935 1.824 -9.706 515 1HD2 LEU 83 1HD2 LEU 83 6.007 0.302 -8.551 516 2HD2 LEU 83 2HD2 LEU 83 6.223 1.389 -7.157 517 3HD2 LEU 83 3HD2 LEU 83 5.554 -0.244 -6.918 518 H LYS 84 H LYS 84 0.988 0.691 -4.928 519 HA LYS 84 HA LYS 84 2.025 -2.010 -5.426 520 2HB LYS 84 2HB LYS 84 -0.058 -2.258 -3.568 521 2HG LYS 84 2HG LYS 84 2.130 -2.585 -2.028 522 2HD LYS 84 2HD LYS 84 1.787 -4.444 -4.405 523 2HE LYS 84 2HE LYS 84 3.424 -4.824 -2.392 524 1HZ LYS 84 1HZ LYS 84 2.463 -5.465 -0.397 525 2HZ LYS 84 2HZ LYS 84 1.427 -4.283 -0.820 526 H ASN 85 H ASN 85 1.021 -2.969 -7.104 527 HA ASN 85 HA ASN 85 -1.642 -1.960 -7.727 528 2HB ASN 85 2HB ASN 85 0.691 -2.845 -9.427 529 1HD2 ASN 85 1HD2 ASN 85 0.351 -4.672 -10.483 530 2HD2 ASN 85 2HD2 ASN 85 -1.039 -5.064 -11.439 531 H GLY 86 H GLY 86 -3.259 -3.478 -7.329 532 1HA GLY 86 1HA GLY 86 -2.475 -6.330 -7.314 533 2HA GLY 86 2HA GLY 86 -3.691 -5.617 -6.274 534 H GLU 87 H GLU 87 -3.289 -7.486 -9.000 535 HA GLU 87 HA GLU 87 -5.862 -6.588 -10.037 536 2HB GLU 87 2HB GLU 87 -3.891 -7.999 -11.829 537 2HG GLU 87 2HG GLU 87 -5.096 -5.854 -13.153 538 HE2 GLU 87 HE2 GLU 87 -5.073 -9.443 -14.268 539 H ASP 88 H ASP 88 -7.444 -8.102 -9.780 540 HA ASP 88 HA ASP 88 -6.593 -10.881 -9.860 541 2HB ASP 88 2HB ASP 88 -8.588 -9.669 -7.888 542 HD2 ASP 88 HD2 ASP 88 -8.123 -13.440 -8.671 543 H ARG 89 H ARG 89 -7.793 -11.893 -11.476 544 HA ARG 89 HA ARG 89 -10.522 -10.967 -11.824 545 2HB ARG 89 2HB ARG 89 -9.037 -9.983 -13.615 546 2HG ARG 89 2HG ARG 89 -8.597 -12.935 -14.257 547 2HD ARG 89 2HD ARG 89 -7.500 -10.647 -15.911 548 HE ARG 89 HE ARG 89 -6.681 -12.580 -16.927 549 1HH1 ARG 89 1HH1 ARG 89 -9.997 -13.215 -15.850 550 2HH1 ARG 89 2HH1 ARG 89 -10.058 -14.793 -16.560 551 2HH2 ARG 89 2HH2 ARG 89 -8.143 -15.625 -17.738 552 H LEU 90 H LEU 90 -12.027 -12.641 -12.362 553 HA LEU 90 HA LEU 90 -10.904 -15.298 -12.797 554 2HB LEU 90 2HB LEU 90 -13.064 -15.683 -11.063 555 HG LEU 90 HG LEU 90 -11.253 -16.258 -9.350 556 1HD1 LEU 90 1HD1 LEU 90 -10.580 -17.893 -11.690 557 2HD1 LEU 90 2HD1 LEU 90 -11.332 -18.347 -10.141 558 3HD1 LEU 90 3HD1 LEU 90 -12.329 -17.665 -11.448 559 1HD2 LEU 90 1HD2 LEU 90 -9.546 -14.727 -10.395 560 2HD2 LEU 90 2HD2 LEU 90 -8.982 -16.375 -10.031 561 3HD2 LEU 90 3HD2 LEU 90 -9.385 -15.922 -11.704 562 H ARG 91 H ARG 91 -12.223 -16.655 -14.061 563 HA ARG 91 HA ARG 91 -13.880 -15.332 -15.816 564 2HB ARG 91 2HB ARG 91 -14.173 -18.309 -15.328 565 2HG ARG 91 2HG ARG 91 -14.552 -16.401 -17.528 566 2HD ARG 91 2HD ARG 91 -13.733 -18.341 -19.177 567 HE ARG 91 HE ARG 91 -12.239 -16.031 -18.094 568 1HH1 ARG 91 1HH1 ARG 91 -12.429 -18.523 -20.605 569 2HH1 ARG 91 2HH1 ARG 91 -11.386 -17.677 -21.699 570 2HH2 ARG 91 2HH2 ARG 91 -10.476 -15.557 -21.049 571 H PHE 92 H PHE 92 -14.444 -16.385 -12.593 572 HA PHE 92 HA PHE 92 -17.169 -17.116 -12.842 573 2HB PHE 92 2HB PHE 92 -16.713 -16.210 -10.225 574 HD1 PHE 92 HD1 PHE 92 -17.904 -17.928 -9.248 575 HD2 PHE 92 HD2 PHE 92 -14.783 -18.901 -11.955 576 HE1 PHE 92 HE1 PHE 92 -18.233 -20.366 -8.751 577 HE2 PHE 92 HE2 PHE 92 -15.112 -21.339 -11.457 578 HZ PHE 92 HZ PHE 92 -16.834 -22.042 -9.862 579 H TYR 93 H TYR 93 -15.582 -14.133 -13.214 580 HA TYR 93 HA TYR 93 -17.880 -12.635 -12.177 581 2HB TYR 93 2HB TYR 93 -16.009 -10.788 -12.921 582 HD1 TYR 93 HD1 TYR 93 -14.951 -13.537 -10.611 583 HD2 TYR 93 HD2 TYR 93 -16.484 -9.560 -10.982 584 HE1 TYR 93 HE1 TYR 93 -14.720 -13.205 -8.101 585 HE2 TYR 93 HE2 TYR 93 -16.248 -9.242 -8.471 586 HH TYR 93 HH TYR 93 -14.386 -10.932 -6.609 587 H VAL 94 H VAL 94 -19.210 -11.447 -13.517 588 HA VAL 94 HA VAL 94 -18.688 -11.785 -16.379 589 HB VAL 94 HB VAL 94 -20.778 -12.695 -15.359 590 1HG1 VAL 94 1HG1 VAL 94 -21.411 -9.755 -14.936 591 2HG1 VAL 94 2HG1 VAL 94 -22.592 -11.082 -14.814 592 3HG1 VAL 94 3HG1 VAL 94 -21.222 -11.003 -13.680 593 1HG2 VAL 94 1HG2 VAL 94 -21.579 -12.517 -17.430 594 2HG2 VAL 94 2HG2 VAL 94 -22.044 -10.825 -17.130 595 3HG2 VAL 94 3HG2 VAL 94 -20.422 -11.204 -17.755 596 H LYS 95 H LYS 95 -18.299 -9.575 -13.846 597 HA LYS 95 HA LYS 95 -18.923 -7.255 -15.480 598 2HB LYS 95 2HB LYS 95 -18.079 -7.604 -12.594 599 2HG LYS 95 2HG LYS 95 -18.855 -4.997 -13.962 600 2HD LYS 95 2HD LYS 95 -17.393 -5.578 -11.344 601 2HE LYS 95 2HE LYS 95 -16.963 -3.336 -12.454 602 1HZ LYS 95 1HZ LYS 95 -19.588 -2.367 -11.785 603 2HZ LYS 95 2HZ LYS 95 -18.696 -2.069 -13.114 604 H PHE 96 H PHE 96 -16.116 -8.906 -13.912 605 HA PHE 96 HA PHE 96 -13.956 -8.834 -14.339 606 2HB PHE 96 2HB PHE 96 -13.310 -8.413 -16.698 607 HD1 PHE 96 HD1 PHE 96 -16.899 -8.537 -17.347 608 HD2 PHE 96 HD2 PHE 96 -13.417 -10.852 -16.619 609 HE1 PHE 96 HE1 PHE 96 -18.093 -10.588 -18.163 610 HE2 PHE 96 HE2 PHE 96 -14.611 -12.903 -17.436 611 HZ PHE 96 HZ PHE 96 -16.934 -12.746 -18.198 612 H GLY 97 H GLY 97 -13.918 -7.143 -12.596 613 1HA GLY 97 1HA GLY 97 -13.471 -4.420 -13.603 614 2HA GLY 97 2HA GLY 97 -13.781 -4.895 -11.944 615 HA PRO 98 HA PRO 98 -9.192 -5.441 -13.113 616 2HB PRO 98 2HB PRO 98 -8.661 -4.949 -15.299 617 2HG PRO 98 2HG PRO 98 -10.296 -3.806 -16.454 618 2HD PRO 98 2HD PRO 98 -12.154 -4.421 -15.248 619 H GLY 99 H GLY 99 -7.522 -4.822 -11.760 620 1HA GLY 99 1HA GLY 99 -8.203 -2.381 -10.235 621 2HA GLY 99 2HA GLY 99 -7.425 -3.805 -9.574 622 H ALA 100 H ALA 100 -6.994 -1.275 -12.138 623 HA ALA 100 HA ALA 100 -4.102 -1.634 -11.884 624 1HB ALA 100 1HB ALA 100 -4.544 -1.667 -14.143 625 2HB ALA 100 2HB ALA 100 -5.987 -0.637 -13.987 626 3HB ALA 100 3HB ALA 100 -4.365 0.091 -13.924 627 H VAL 101 H VAL 101 -2.854 0.574 -12.106 628 HA VAL 101 HA VAL 101 -3.498 2.075 -9.824 629 HB VAL 101 HB VAL 101 -1.236 1.753 -10.596 630 1HG1 VAL 101 1HG1 VAL 101 -1.376 1.603 -12.943 631 2HG1 VAL 101 2HG1 VAL 101 -2.196 3.176 -13.084 632 3HG1 VAL 101 3HG1 VAL 101 -0.473 3.108 -12.644 633 1HG2 VAL 101 1HG2 VAL 101 -0.591 3.714 -9.728 634 2HG2 VAL 101 2HG2 VAL 101 -1.283 4.634 -11.085 635 3HG2 VAL 101 3HG2 VAL 101 -2.315 4.158 -9.715 636 H ILE 102 H ILE 102 -4.048 2.546 -13.346 637 HA ILE 102 HA ILE 102 -4.967 5.191 -13.118 638 HB ILE 102 HB ILE 102 -4.216 3.652 -15.148 639 2HG1 ILE 102 2HG1 ILE 102 -5.568 6.207 -14.849 640 1HG2 ILE 102 1HG2 ILE 102 -7.238 3.464 -15.159 641 2HG2 ILE 102 2HG2 ILE 102 -6.205 3.158 -16.576 642 3HG2 ILE 102 3HG2 ILE 102 -6.062 2.127 -15.132 643 1HD1 ILE 102 1HD1 ILE 102 -3.539 6.786 -15.657 644 2HD1 ILE 102 2HD1 ILE 102 -3.147 5.068 -15.909 645 3HD1 ILE 102 3HD1 ILE 102 -3.934 6.000 -17.205 646 H LYS 103 H LYS 103 -6.543 1.976 -12.871 647 HA LYS 103 HA LYS 103 -9.172 2.969 -12.860 648 2HB LYS 103 2HB LYS 103 -8.934 0.534 -11.355 649 2HG LYS 103 2HG LYS 103 -10.844 1.053 -12.790 650 2HD LYS 103 2HD LYS 103 -8.859 2.023 -14.579 651 2HE LYS 103 2HE LYS 103 -9.685 0.849 -16.704 652 1HZ LYS 103 1HZ LYS 103 -7.644 -0.022 -16.383 653 2HZ LYS 103 2HZ LYS 103 -7.811 -0.131 -14.766 654 H GLU 104 H GLU 104 -6.954 1.962 -10.165 655 HA GLU 104 HA GLU 104 -8.681 2.644 -8.144 656 2HB GLU 104 2HB GLU 104 -6.252 1.469 -8.243 657 2HG GLU 104 2HG GLU 104 -5.641 4.117 -6.879 658 HE2 GLU 104 HE2 GLU 104 -2.763 2.673 -5.934 659 H PHE 105 H PHE 105 -6.430 4.634 -10.084 660 HA PHE 105 HA PHE 105 -6.250 6.871 -8.530 661 2HB PHE 105 2HB PHE 105 -6.086 6.039 -11.371 662 HD1 PHE 105 HD1 PHE 105 -8.349 6.948 -12.189 663 HD2 PHE 105 HD2 PHE 105 -5.164 9.445 -10.912 664 HE1 PHE 105 HE1 PHE 105 -9.362 8.877 -13.435 665 HE2 PHE 105 HE2 PHE 105 -6.177 11.374 -12.158 666 HZ PHE 105 HZ PHE 105 -8.264 11.068 -13.404 667 H LYS 106 H LYS 106 -8.983 5.730 -10.544 668 HA LYS 106 HA LYS 106 -10.430 8.069 -10.693 669 2HB LYS 106 2HB LYS 106 -10.805 5.307 -11.258 670 2HG LYS 106 2HG LYS 106 -13.502 5.941 -10.687 671 2HD LYS 106 2HD LYS 106 -12.205 4.145 -8.733 672 2HE LYS 106 2HE LYS 106 -13.704 2.665 -10.598 673 1HZ LYS 106 1HZ LYS 106 -15.483 3.093 -8.797 674 2HZ LYS 106 2HZ LYS 106 -14.108 2.354 -8.328 675 H ILE 107 H ILE 107 -9.651 6.071 -7.930 676 HA ILE 107 HA ILE 107 -11.643 6.263 -6.205 677 HB ILE 107 HB ILE 107 -9.405 5.385 -5.737 678 2HG1 ILE 107 2HG1 ILE 107 -9.565 5.618 -3.448 679 1HG2 ILE 107 1HG2 ILE 107 -7.908 6.992 -6.558 680 2HG2 ILE 107 2HG2 ILE 107 -8.664 8.307 -5.628 681 3HG2 ILE 107 3HG2 ILE 107 -7.717 7.054 -4.789 682 1HD1 ILE 107 1HD1 ILE 107 -9.930 8.506 -4.098 683 2HD1 ILE 107 2HD1 ILE 107 -10.833 7.919 -2.681 684 3HD1 ILE 107 3HD1 ILE 107 -9.063 7.745 -2.742 685 H THR 108 H THR 108 -9.659 9.021 -7.359 686 HA THR 108 HA THR 108 -11.769 10.835 -6.765 687 HB THR 108 HB THR 108 -10.773 10.469 -4.470 688 HG1 THR 108 HG1 THR 108 -10.543 12.810 -4.216 689 1HG2 THR 108 1HG2 THR 108 -8.332 10.269 -5.562 690 2HG2 THR 108 2HG2 THR 108 -8.366 12.043 -5.419 691 3HG2 THR 108 3HG2 THR 108 -8.540 11.030 -3.966 692 H ASP 109 H ASP 109 -8.283 10.326 -7.497 693 HA ASP 109 HA ASP 109 -7.798 12.746 -8.639 694 2HB ASP 109 2HB ASP 109 -6.131 11.398 -10.096 695 HD2 ASP 109 HD2 ASP 109 -4.611 9.709 -7.437 Start of MODEL 13 1 1H MET 1 1H MET 1 6.134 18.114 -4.864 2 HA MET 1 HA MET 1 4.160 16.545 -5.449 3 2HB MET 1 2HB MET 1 5.986 15.642 -7.352 4 2HG MET 1 2HG MET 1 4.649 18.373 -7.080 5 1HE MET 1 1HE MET 1 6.206 20.372 -9.352 6 2HE MET 1 2HE MET 1 5.908 19.901 -7.661 7 3HE MET 1 3HE MET 1 7.487 19.568 -8.414 8 H SER 2 H SER 2 3.892 14.932 -3.732 9 HA SER 2 HA SER 2 5.542 12.585 -4.256 10 2HB SER 2 2HB SER 2 6.177 12.709 -2.087 11 HG SER 2 HG SER 2 4.219 14.171 -0.842 12 H GLU 3 H GLU 3 4.430 10.585 -4.453 13 HA GLU 3 HA GLU 3 1.577 10.667 -3.971 14 2HB GLU 3 2HB GLU 3 2.845 9.867 -6.626 15 2HG GLU 3 2HG GLU 3 0.188 9.274 -5.382 16 HE2 GLU 3 HE2 GLU 3 -1.789 10.684 -7.813 17 H VAL 4 H VAL 4 0.790 8.736 -3.133 18 HA VAL 4 HA VAL 4 2.721 6.519 -3.086 19 HB VAL 4 HB VAL 4 2.444 7.535 -0.913 20 1HG1 VAL 4 1HG1 VAL 4 0.297 8.620 -1.167 21 2HG1 VAL 4 2HG1 VAL 4 -0.526 7.047 -1.311 22 3HG1 VAL 4 3HG1 VAL 4 0.228 7.521 0.231 23 1HG2 VAL 4 1HG2 VAL 4 2.154 5.586 0.300 24 2HG2 VAL 4 2HG2 VAL 4 0.793 5.033 -0.705 25 3HG2 VAL 4 3HG2 VAL 4 2.456 4.942 -1.332 26 H ASN 5 H ASN 5 1.993 4.457 -3.636 27 HA ASN 5 HA ASN 5 -0.807 4.355 -4.437 28 2HB ASN 5 2HB ASN 5 0.102 2.657 -6.228 29 1HD2 ASN 5 1HD2 ASN 5 2.042 5.584 -6.217 30 2HD2 ASN 5 2HD2 ASN 5 1.128 6.484 -7.381 31 H ILE 6 H ILE 6 -1.812 2.816 -3.135 32 HA ILE 6 HA ILE 6 -0.329 0.362 -2.577 33 HB ILE 6 HB ILE 6 0.054 1.646 -0.626 34 2HG1 ILE 6 2HG1 ILE 6 -1.478 -0.755 -0.611 35 1HG2 ILE 6 1HG2 ILE 6 -2.338 2.940 -1.254 36 2HG2 ILE 6 2HG2 ILE 6 -2.656 2.120 0.294 37 3HG2 ILE 6 3HG2 ILE 6 -1.283 3.243 0.148 38 1HD1 ILE 6 1HD1 ILE 6 0.424 0.622 1.327 39 2HD1 ILE 6 2HD1 ILE 6 -0.242 -1.001 1.631 40 3HD1 ILE 6 3HD1 ILE 6 0.782 -0.712 0.204 41 H VAL 7 H VAL 7 -1.496 -1.289 -3.384 42 HA VAL 7 HA VAL 7 -4.370 -1.250 -2.950 43 HB VAL 7 HB VAL 7 -4.246 -0.240 -5.086 44 1HG1 VAL 7 1HG1 VAL 7 -3.016 -1.777 -6.930 45 2HG1 VAL 7 2HG1 VAL 7 -2.202 -0.456 -6.057 46 3HG1 VAL 7 3HG1 VAL 7 -1.998 -2.140 -5.516 47 1HG2 VAL 7 1HG2 VAL 7 -4.994 -3.140 -5.032 48 2HG2 VAL 7 2HG2 VAL 7 -6.015 -1.698 -5.249 49 3HG2 VAL 7 3HG2 VAL 7 -5.008 -2.285 -6.594 50 H VAL 8 H VAL 8 -4.988 -3.194 -2.152 51 HA VAL 8 HA VAL 8 -3.340 -5.508 -2.883 52 HB VAL 8 HB VAL 8 -4.218 -4.576 -0.159 53 1HG1 VAL 8 1HG1 VAL 8 -4.281 -7.274 -1.107 54 2HG1 VAL 8 2HG1 VAL 8 -2.921 -7.112 0.030 55 3HG1 VAL 8 3HG1 VAL 8 -4.566 -6.664 0.541 56 1HG2 VAL 8 1HG2 VAL 8 -1.529 -5.618 -1.093 57 2HG2 VAL 8 2HG2 VAL 8 -1.984 -3.898 -1.128 58 3HG2 VAL 8 3HG2 VAL 8 -1.909 -4.767 0.424 59 H ASN 9 H ASN 9 -4.569 -6.990 -3.911 60 HA ASN 9 HA ASN 9 -7.396 -7.015 -3.189 61 2HB ASN 9 2HB ASN 9 -7.193 -8.270 -5.694 62 1HD2 ASN 9 1HD2 ASN 9 -6.784 -4.844 -4.799 63 2HD2 ASN 9 2HD2 ASN 9 -8.354 -4.300 -5.290 64 H GLY 10 H GLY 10 -7.773 -8.877 -1.971 65 1HA GLY 10 1HA GLY 10 -7.918 -11.102 -1.550 66 2HA GLY 10 2HA GLY 10 -6.999 -11.446 -3.001 67 H ARG 11 H ARG 11 -6.413 -9.703 0.145 68 HA ARG 11 HA ARG 11 -4.524 -9.530 1.272 69 2HB ARG 11 2HB ARG 11 -4.841 -12.576 1.251 70 2HG ARG 11 2HG ARG 11 -3.727 -10.692 3.383 71 2HD ARG 11 2HD ARG 11 -4.982 -12.990 3.946 72 HE ARG 11 HE ARG 11 -3.814 -14.694 2.821 73 1HH1 ARG 11 1HH1 ARG 11 -1.498 -12.525 4.395 74 2HH1 ARG 11 2HH1 ARG 11 -0.139 -13.556 4.097 75 2HH2 ARG 11 2HH2 ARG 11 -0.471 -15.628 2.938 76 H GLU 12 H GLU 12 -3.494 -9.009 -1.065 77 HA GLU 12 HA GLU 12 -1.399 -10.986 -1.520 78 2HB GLU 12 2HB GLU 12 -2.717 -10.732 -3.518 79 2HG GLU 12 2HG GLU 12 -2.346 -7.733 -3.076 80 HE2 GLU 12 HE2 GLU 12 -1.959 -9.441 -6.117 81 H ALA 13 H ALA 13 0.789 -10.311 -1.556 82 HA ALA 13 HA ALA 13 1.244 -7.472 -0.987 83 1HB ALA 13 1HB ALA 13 1.876 -7.955 1.113 84 2HB ALA 13 2HB ALA 13 1.535 -9.681 0.841 85 3HB ALA 13 3HB ALA 13 3.146 -9.022 0.467 86 H GLY 14 H GLY 14 3.122 -6.623 -1.929 87 1HA GLY 14 1HA GLY 14 4.533 -8.491 -3.734 88 2HA GLY 14 2HA GLY 14 4.234 -6.795 -4.061 89 H SER 15 H SER 15 4.812 -6.782 -0.806 90 HA SER 15 HA SER 15 7.700 -6.708 -1.169 91 2HB SER 15 2HB SER 15 6.332 -4.410 -1.056 92 HG SER 15 HG SER 15 5.366 -4.304 0.880 93 H LYS 16 H LYS 16 8.638 -6.300 1.326 94 HA LYS 16 HA LYS 16 7.641 -8.616 2.742 95 2HB LYS 16 2HB LYS 16 9.673 -8.054 4.219 96 2HG LYS 16 2HG LYS 16 9.972 -8.709 1.251 97 2HD LYS 16 2HD LYS 16 11.895 -9.230 3.569 98 2HE LYS 16 2HE LYS 16 13.132 -10.551 2.145 99 1HZ LYS 16 1HZ LYS 16 10.696 -10.683 0.475 100 2HZ LYS 16 2HZ LYS 16 11.729 -11.890 0.837 101 H SER 17 H SER 17 6.392 -5.685 2.473 102 HA SER 17 HA SER 17 6.402 -4.394 4.806 103 2HB SER 17 2HB SER 17 5.113 -3.558 2.950 104 HG SER 17 HG SER 17 3.542 -5.960 3.301 105 H LYS 18 H LYS 18 5.059 -7.592 4.133 106 HA LYS 18 HA LYS 18 3.191 -7.853 6.122 107 2HB LYS 18 2HB LYS 18 4.564 -10.311 5.966 108 2HG LYS 18 2HG LYS 18 2.077 -9.037 4.939 109 2HD LYS 18 2HD LYS 18 3.474 -11.298 3.486 110 2HE LYS 18 2HE LYS 18 0.562 -11.083 4.185 111 1HZ LYS 18 1HZ LYS 18 0.570 -12.483 1.855 112 2HZ LYS 18 2HZ LYS 18 0.008 -10.963 2.010 113 H GLY 19 H GLY 19 6.751 -7.801 6.314 114 1HA GLY 19 1HA GLY 19 6.720 -8.596 9.115 115 2HA GLY 19 2HA GLY 19 8.116 -8.255 8.112 116 H CYS 20 H CYS 20 9.003 -6.169 8.039 117 HA CYS 20 HA CYS 20 7.566 -4.180 9.642 118 2HB CYS 20 2HB CYS 20 9.508 -3.511 10.736 119 HG CYS 20 HG CYS 20 8.478 -6.240 10.938 120 H ALA 21 H ALA 21 8.474 -1.862 9.055 121 HA ALA 21 HA ALA 21 8.083 -1.500 6.294 122 1HB ALA 21 1HB ALA 21 9.257 0.443 8.319 123 2HB ALA 21 2HB ALA 21 8.414 0.840 6.802 124 3HB ALA 21 3HB ALA 21 7.517 0.108 8.154 125 H LEU 22 H LEU 22 11.011 -1.253 8.426 126 HA LEU 22 HA LEU 22 12.751 -0.648 6.302 127 2HB LEU 22 2HB LEU 22 13.144 -1.683 9.102 128 HG LEU 22 HG LEU 22 15.515 -0.848 8.851 129 1HD1 LEU 22 1HD1 LEU 22 16.174 -2.979 8.759 130 2HD1 LEU 22 2HD1 LEU 22 14.448 -3.366 8.556 131 3HD1 LEU 22 3HD1 LEU 22 15.500 -3.218 7.129 132 1HD2 LEU 22 1HD2 LEU 22 15.755 0.312 6.905 133 2HD2 LEU 22 2HD2 LEU 22 16.307 -1.288 6.354 134 3HD2 LEU 22 3HD2 LEU 22 14.649 -0.748 5.999 135 H CYS 23 H CYS 23 12.146 -3.741 8.115 136 HA CYS 23 HA CYS 23 12.892 -5.125 5.655 137 2HB CYS 23 2HB CYS 23 13.760 -6.234 8.317 138 HG CYS 23 HG CYS 23 15.894 -6.627 6.186 139 H GLY 24 H GLY 24 12.181 -7.595 5.970 140 1HA GLY 24 1HA GLY 24 10.058 -8.091 7.821 141 2HA GLY 24 2HA GLY 24 9.452 -7.727 6.217 142 H ALA 25 H ALA 25 11.386 -9.985 8.181 143 HA ALA 25 HA ALA 25 11.757 -11.747 5.900 144 1HB ALA 25 1HB ALA 25 12.584 -12.084 8.810 145 2HB ALA 25 2HB ALA 25 13.176 -13.010 7.410 146 3HB ALA 25 3HB ALA 25 13.579 -11.284 7.570 147 H THR 26 H THR 26 9.569 -11.149 8.557 148 HA THR 26 HA THR 26 8.536 -13.877 8.470 149 HB THR 26 HB THR 26 8.062 -11.412 10.213 150 HG1 THR 26 HG1 THR 26 9.951 -12.823 10.543 151 1HG2 THR 26 1HG2 THR 26 6.949 -13.907 11.241 152 2HG2 THR 26 2HG2 THR 26 6.143 -12.332 11.046 153 3HG2 THR 26 3HG2 THR 26 6.167 -13.491 9.697 154 H TRP 27 H TRP 27 6.454 -14.445 7.809 155 HA TRP 27 HA TRP 27 4.888 -12.332 6.548 156 2HB TRP 27 2HB TRP 27 6.433 -13.339 4.839 157 HD1 TRP 27 HD1 TRP 27 7.667 -15.715 5.105 158 HE1 TRP 27 HE1 TRP 27 7.037 -18.236 4.642 159 HE3 TRP 27 HE3 TRP 27 2.669 -14.923 4.602 160 HZ2 TRP 27 HZ2 TRP 27 4.575 -19.585 4.128 161 HZ3 TRP 27 HZ3 TRP 27 1.223 -16.895 4.119 162 HH2 TRP 27 HH2 TRP 27 2.100 -19.164 3.883 163 H GLY 28 H GLY 28 2.732 -12.609 7.036 164 1HA GLY 28 1HA GLY 28 1.716 -15.277 7.609 165 2HA GLY 28 2HA GLY 28 1.736 -14.157 8.957 166 H ASP 29 H ASP 29 -0.725 -15.039 8.251 167 HA ASP 29 HA ASP 29 -1.788 -12.938 6.541 168 2HB ASP 29 2HB ASP 29 -2.693 -14.831 5.590 169 HD2 ASP 29 HD2 ASP 29 -4.274 -16.781 7.742 170 H TYR 30 H TYR 30 -1.695 -14.402 9.759 171 HA TYR 30 HA TYR 30 -4.087 -13.483 10.827 172 2HB TYR 30 2HB TYR 30 -2.853 -13.888 12.948 173 HD1 TYR 30 HD1 TYR 30 -0.089 -15.448 11.337 174 HD2 TYR 30 HD2 TYR 30 -4.268 -15.924 12.118 175 HE1 TYR 30 HE1 TYR 30 0.107 -17.945 10.903 176 HE2 TYR 30 HE2 TYR 30 -4.058 -18.420 11.681 177 HH TYR 30 HH TYR 30 -2.768 -20.021 10.990 178 H HIS 31 H HIS 31 -1.180 -11.752 9.891 179 HA HIS 31 HA HIS 31 -2.060 -9.451 11.461 180 2HB HIS 31 2HB HIS 31 0.187 -9.906 11.946 181 HD1 HIS 31 HD1 HIS 31 2.527 -10.785 11.346 182 HD2 HIS 31 HD2 HIS 31 -0.051 -10.496 8.050 183 HE1 HIS 31 HE1 HIS 31 3.688 -11.993 9.422 184 H ALA 32 H ALA 32 -1.996 -7.292 10.358 185 HA ALA 32 HA ALA 32 -2.503 -7.560 7.477 186 1HB ALA 32 1HB ALA 32 -4.317 -5.836 7.813 187 2HB ALA 32 2HB ALA 32 -4.665 -7.417 8.551 188 3HB ALA 32 3HB ALA 32 -4.126 -6.059 9.568 189 H ASP 33 H ASP 33 -1.597 -5.952 6.199 190 HA ASP 33 HA ASP 33 0.208 -4.217 7.630 191 2HB ASP 33 2HB ASP 33 1.076 -5.522 5.719 192 HD2 ASP 33 HD2 ASP 33 -2.122 -4.878 4.453 193 H PHE 34 H PHE 34 0.397 -1.867 6.719 194 HA PHE 34 HA PHE 34 -2.310 -0.880 6.184 195 2HB PHE 34 2HB PHE 34 -1.476 1.167 7.279 196 HD1 PHE 34 HD1 PHE 34 1.102 0.142 9.198 197 HD2 PHE 34 HD2 PHE 34 -2.962 -0.871 8.516 198 HE1 PHE 34 HE1 PHE 34 0.959 -0.841 11.503 199 HE2 PHE 34 HE2 PHE 34 -3.105 -1.854 10.821 200 HZ PHE 34 HZ PHE 34 -1.142 -1.827 12.287 201 H LEU 35 H LEU 35 -2.023 1.530 5.111 202 HA LEU 35 HA LEU 35 -1.162 0.989 2.489 203 2HB LEU 35 2HB LEU 35 -2.991 2.562 3.353 204 HG LEU 35 HG LEU 35 -1.213 3.989 4.669 205 1HD1 LEU 35 1HD1 LEU 35 -0.894 4.958 1.829 206 2HD1 LEU 35 2HD1 LEU 35 -0.575 6.004 3.233 207 3HD1 LEU 35 3HD1 LEU 35 0.361 4.507 3.008 208 1HD2 LEU 35 1HD2 LEU 35 -2.783 5.639 4.836 209 2HD2 LEU 35 2HD2 LEU 35 -3.107 5.672 3.086 210 3HD2 LEU 35 3HD2 LEU 35 -3.769 4.359 4.089 211 H GLY 36 H GLY 36 0.565 1.762 5.335 212 1HA GLY 36 1HA GLY 36 2.631 3.349 4.105 213 2HA GLY 36 2HA GLY 36 2.610 2.675 5.723 214 H GLU 37 H GLU 37 1.751 0.205 3.553 215 HA GLU 37 HA GLU 37 2.756 -1.605 2.894 216 2HB GLU 37 2HB GLU 37 5.373 -0.824 2.119 217 2HG GLU 37 2HG GLU 37 2.928 -0.530 0.345 218 HE2 GLU 37 HE2 GLU 37 5.161 0.374 -1.400 219 H ASP 38 H ASP 38 2.816 -1.315 5.649 220 HA ASP 38 HA ASP 38 5.296 -2.680 6.227 221 2HB ASP 38 2HB ASP 38 5.993 -0.641 7.112 222 HD2 ASP 38 HD2 ASP 38 4.812 1.975 8.054 223 H LEU 39 H LEU 39 5.052 -3.501 8.731 224 HA LEU 39 HA LEU 39 2.265 -3.982 9.391 225 2HB LEU 39 2HB LEU 39 4.205 -6.267 9.029 226 HG LEU 39 HG LEU 39 1.525 -6.093 10.161 227 1HD1 LEU 39 1HD1 LEU 39 1.912 -7.674 7.639 228 2HD1 LEU 39 2HD1 LEU 39 0.845 -8.287 8.925 229 3HD1 LEU 39 3HD1 LEU 39 0.518 -6.706 8.177 230 1HD2 LEU 39 1HD2 LEU 39 2.787 -8.723 10.041 231 2HD2 LEU 39 2HD2 LEU 39 3.883 -7.455 10.639 232 3HD2 LEU 39 3HD2 LEU 39 2.320 -7.732 11.443 233 H PHE 40 H PHE 40 2.055 -3.448 11.491 234 HA PHE 40 HA PHE 40 4.456 -3.665 13.152 235 2HB PHE 40 2HB PHE 40 2.791 -1.545 12.649 236 HD1 PHE 40 HD1 PHE 40 0.553 -3.274 12.705 237 HD2 PHE 40 HD2 PHE 40 2.270 -1.130 15.940 238 HE1 PHE 40 HE1 PHE 40 -1.655 -3.306 13.898 239 HE2 PHE 40 HE2 PHE 40 0.062 -1.162 17.134 240 HZ PHE 40 HZ PHE 40 -1.874 -2.250 16.099 241 H PHE 41 H PHE 41 2.642 -5.954 12.421 242 HA PHE 41 HA PHE 41 1.486 -6.475 15.063 243 2HB PHE 41 2HB PHE 41 0.846 -8.456 13.042 244 HD1 PHE 41 HD1 PHE 41 -1.243 -9.240 13.593 245 HD2 PHE 41 HD2 PHE 41 -0.409 -5.121 14.180 246 HE1 PHE 41 HE1 PHE 41 -3.526 -8.919 14.586 247 HE2 PHE 41 HE2 PHE 41 -2.692 -4.800 15.173 248 HZ PHE 41 HZ PHE 41 -4.223 -6.703 15.363 249 H CYS 42 H CYS 42 4.235 -7.068 13.168 250 HA CYS 42 HA CYS 42 4.598 -9.703 14.392 251 2HB CYS 42 2HB CYS 42 4.713 -9.634 11.903 252 HG CYS 42 HG CYS 42 5.521 -7.106 11.714 253 H CYS 43 H CYS 43 6.142 -6.514 13.622 254 HA CYS 43 HA CYS 43 8.053 -7.057 15.772 255 2HB CYS 43 2HB CYS 43 9.121 -4.907 14.517 256 HG CYS 43 HG CYS 43 9.330 -8.087 14.600 257 H ASP 44 H ASP 44 6.265 -4.324 14.145 258 HA ASP 44 HA ASP 44 5.266 -2.566 14.922 259 2HB ASP 44 2HB ASP 44 3.671 -3.074 16.456 260 HD2 ASP 44 HD2 ASP 44 4.835 -5.104 18.626 261 H ILE 45 H ILE 45 8.276 -3.306 15.588 262 HA ILE 45 HA ILE 45 8.670 -1.384 17.764 263 HB ILE 45 HB ILE 45 10.204 -3.742 16.753 264 2HG1 ILE 45 2HG1 ILE 45 10.333 -4.250 19.161 265 1HG2 ILE 45 1HG2 ILE 45 11.722 -1.716 16.741 266 2HG2 ILE 45 2HG2 ILE 45 11.472 -1.627 18.501 267 3HG2 ILE 45 3HG2 ILE 45 12.226 -3.070 17.782 268 1HD1 ILE 45 1HD1 ILE 45 9.792 -2.744 20.768 269 2HD1 ILE 45 2HD1 ILE 45 9.731 -1.515 19.483 270 3HD1 ILE 45 3HD1 ILE 45 8.246 -2.364 19.973 271 H CYS 46 H CYS 46 10.257 -2.402 14.651 272 HA CYS 46 HA CYS 46 11.166 0.340 14.363 273 2HB CYS 46 2HB CYS 46 12.890 -1.291 14.046 274 HG CYS 46 HG CYS 46 10.938 -2.455 11.637 275 H ALA 47 H ALA 47 8.531 -1.670 13.560 276 HA ALA 47 HA ALA 47 8.053 -0.308 11.015 277 1HB ALA 47 1HB ALA 47 7.191 -2.284 10.388 278 2HB ALA 47 2HB ALA 47 7.662 -2.958 11.966 279 3HB ALA 47 3HB ALA 47 6.043 -2.251 11.748 280 H ALA 48 H ALA 48 5.600 0.252 10.682 281 HA ALA 48 HA ALA 48 3.750 1.311 11.329 282 1HB ALA 48 1HB ALA 48 4.515 -0.077 13.708 283 2HB ALA 48 2HB ALA 48 4.040 1.573 14.179 284 3HB ALA 48 3HB ALA 48 2.908 0.547 13.265 285 H GLU 49 H GLU 49 5.374 2.897 10.196 286 HA GLU 49 HA GLU 49 6.455 4.843 11.993 287 2HB GLU 49 2HB GLU 49 7.728 4.266 9.990 288 2HG GLU 49 2HG GLU 49 5.254 5.241 8.485 289 HE2 GLU 49 HE2 GLU 49 6.754 3.613 6.128 290 H PHE 50 H PHE 50 5.593 6.863 12.475 291 HA PHE 50 HA PHE 50 2.837 7.233 11.875 292 2HB PHE 50 2HB PHE 50 5.034 8.971 13.153 293 HD1 PHE 50 HD1 PHE 50 4.530 11.131 13.774 294 HD2 PHE 50 HD2 PHE 50 1.337 8.435 13.038 295 HE1 PHE 50 HE1 PHE 50 2.880 12.991 14.123 296 HE2 PHE 50 HE2 PHE 50 -0.312 10.294 13.386 297 HZ PHE 50 HZ PHE 50 0.478 12.550 13.926 298 H MET 51 H MET 51 5.823 8.080 10.311 299 HA MET 51 HA MET 51 5.382 10.517 9.277 300 2HB MET 51 2HB MET 51 6.538 7.977 8.020 301 2HG MET 51 2HG MET 51 6.048 10.620 6.784 302 1HE MET 51 1HE MET 51 10.043 8.925 7.669 303 2HE MET 51 2HE MET 51 8.573 8.024 7.230 304 3HE MET 51 3HE MET 51 9.750 8.472 5.973 305 H ASN 52 H ASN 52 3.581 7.571 8.620 306 HA ASN 52 HA ASN 52 2.450 8.699 6.224 307 2HB ASN 52 2HB ASN 52 1.031 6.424 6.544 308 1HD2 ASN 52 1HD2 ASN 52 1.486 6.938 4.350 309 2HD2 ASN 52 2HD2 ASN 52 2.887 6.308 3.548 310 H MET 53 H MET 53 -0.198 7.971 6.259 311 HA MET 53 HA MET 53 -1.221 9.625 8.378 312 2HB MET 53 2HB MET 53 -1.970 9.973 6.022 313 2HG MET 53 2HG MET 53 -3.727 7.899 5.458 314 1HE MET 53 1HE MET 53 -3.188 9.997 4.212 315 2HE MET 53 2HE MET 53 -1.559 10.434 3.642 316 3HE MET 53 3HE MET 53 -2.682 9.576 2.558 317 H MET 54 H MET 54 -3.107 8.971 9.701 318 HA MET 54 HA MET 54 -2.715 6.479 10.839 319 2HB MET 54 2HB MET 54 -5.393 7.392 11.390 320 2HG MET 54 2HG MET 54 -2.788 7.160 12.755 321 1HE MET 54 1HE MET 54 -4.580 9.575 15.856 322 2HE MET 54 2HE MET 54 -5.527 8.332 15.005 323 3HE MET 54 3HE MET 54 -3.941 7.922 15.699 324 H ASP 55 H ASP 55 -4.929 7.623 8.274 325 HA ASP 55 HA ASP 55 -6.823 5.759 8.232 326 2HB ASP 55 2HB ASP 55 -7.085 6.219 5.909 327 HD2 ASP 55 HD2 ASP 55 -7.952 8.837 7.053 328 H GLU 56 H GLU 56 -3.374 5.436 7.302 329 HA GLU 56 HA GLU 56 -3.362 3.192 5.839 330 2HB GLU 56 2HB GLU 56 -1.401 4.655 6.674 331 2HG GLU 56 2HG GLU 56 -1.216 2.494 8.810 332 HE2 GLU 56 HE2 GLU 56 1.168 4.243 7.151 333 H ALA 57 H ALA 57 -3.800 3.477 9.393 334 HA ALA 57 HA ALA 57 -3.594 0.728 9.945 335 1HB ALA 57 1HB ALA 57 -3.897 1.442 12.073 336 2HB ALA 57 2HB ALA 57 -3.804 3.079 11.381 337 3HB ALA 57 3HB ALA 57 -5.389 2.322 11.663 338 H PHE 58 H PHE 58 -6.474 2.903 9.494 339 HA PHE 58 HA PHE 58 -8.358 0.869 9.687 340 2HB PHE 58 2HB PHE 58 -9.783 2.613 8.513 341 HD1 PHE 58 HD1 PHE 58 -8.845 1.926 11.360 342 HD2 PHE 58 HD2 PHE 58 -8.826 5.533 9.125 343 HE1 PHE 58 HE1 PHE 58 -8.947 3.248 13.491 344 HE2 PHE 58 HE2 PHE 58 -8.928 6.855 11.256 345 HZ PHE 58 HZ PHE 58 -8.987 5.696 13.414 346 H LYS 59 H LYS 59 -6.389 2.055 6.941 347 HA LYS 59 HA LYS 59 -7.763 1.078 4.816 348 2HB LYS 59 2HB LYS 59 -5.239 2.127 5.288 349 2HG LYS 59 2HG LYS 59 -4.605 -0.451 5.377 350 2HD LYS 59 2HD LYS 59 -5.906 -0.507 2.961 351 2HE LYS 59 2HE LYS 59 -3.687 -0.917 1.453 352 1HZ LYS 59 1HZ LYS 59 -5.700 0.724 1.231 353 2HZ LYS 59 2HZ LYS 59 -4.620 1.859 1.679 354 H HIS 60 H HIS 60 -5.913 -0.725 7.282 355 HA HIS 60 HA HIS 60 -5.851 -3.151 5.890 356 2HB HIS 60 2HB HIS 60 -4.720 -2.201 8.158 357 HD1 HIS 60 HD1 HIS 60 -7.178 -5.128 8.610 358 HD2 HIS 60 HD2 HIS 60 -5.552 -1.892 10.726 359 HE1 HIS 60 HE1 HIS 60 -8.159 -5.247 10.962 360 H THR 61 H THR 61 -8.297 -1.539 7.930 361 HA THR 61 HA THR 61 -9.932 -3.738 8.429 362 HB THR 61 HB THR 61 -10.637 -0.784 8.006 363 HG1 THR 61 HG1 THR 61 -10.401 -1.179 10.520 364 1HG2 THR 61 1HG2 THR 61 -12.721 -1.959 8.265 365 2HG2 THR 61 2HG2 THR 61 -12.010 -3.118 9.413 366 3HG2 THR 61 3HG2 THR 61 -12.296 -1.434 9.912 367 H ALA 62 H ALA 62 -9.552 -1.710 5.519 368 HA ALA 62 HA ALA 62 -11.890 -2.483 4.229 369 1HB ALA 62 1HB ALA 62 -9.152 -1.574 3.295 370 2HB ALA 62 2HB ALA 62 -10.470 -1.922 2.150 371 3HB ALA 62 3HB ALA 62 -10.666 -0.641 3.371 372 H ARG 63 H ARG 63 -8.525 -3.836 3.929 373 HA ARG 63 HA ARG 63 -9.480 -5.994 2.394 374 2HB ARG 63 2HB ARG 63 -7.179 -5.190 2.107 375 2HG ARG 63 2HG ARG 63 -6.506 -6.239 4.878 376 2HD ARG 63 2HD ARG 63 -4.470 -5.906 3.817 377 HE ARG 63 HE ARG 63 -4.613 -5.080 1.648 378 1HH1 ARG 63 1HH1 ARG 63 -6.580 -3.000 3.736 379 2HH1 ARG 63 2HH1 ARG 63 -7.035 -1.929 2.452 380 2HH2 ARG 63 2HH2 ARG 63 -6.218 -2.341 0.237 381 H HIS 64 H HIS 64 -10.268 -5.363 5.436 382 HA HIS 64 HA HIS 64 -9.409 -7.710 6.795 383 2HB HIS 64 2HB HIS 64 -11.767 -6.129 7.721 384 HD1 HIS 64 HD1 HIS 64 -8.498 -7.887 8.509 385 HD2 HIS 64 HD2 HIS 64 -11.808 -6.268 10.512 386 HE1 HIS 64 HE1 HIS 64 -8.298 -8.635 10.940 387 H ASN 65 H ASN 65 -12.692 -6.549 5.730 388 HA ASN 65 HA ASN 65 -13.383 -9.371 5.488 389 2HB ASN 65 2HB ASN 65 -14.913 -8.523 7.075 390 1HD2 ASN 65 1HD2 ASN 65 -16.919 -6.519 5.702 391 2HD2 ASN 65 2HD2 ASN 65 -16.342 -4.965 6.203 392 H VAL 66 H VAL 66 -14.192 -6.041 4.226 393 HA VAL 66 HA VAL 66 -14.889 -7.231 1.659 394 HB VAL 66 HB VAL 66 -15.910 -5.128 1.169 395 1HG1 VAL 66 1HG1 VAL 66 -16.893 -5.137 3.908 396 2HG1 VAL 66 2HG1 VAL 66 -17.707 -5.627 2.402 397 3HG1 VAL 66 3HG1 VAL 66 -16.687 -6.791 3.282 398 1HG2 VAL 66 1HG2 VAL 66 -14.040 -4.112 3.126 399 2HG2 VAL 66 2HG2 VAL 66 -15.011 -3.230 1.922 400 3HG2 VAL 66 3HG2 VAL 66 -15.695 -3.592 3.525 401 H ASP 67 H ASP 67 -14.262 -4.654 0.259 402 HA ASP 67 HA ASP 67 -11.361 -4.761 0.403 403 2HB ASP 67 2HB ASP 67 -11.207 -4.802 -2.045 404 HD2 ASP 67 HD2 ASP 67 -13.312 -8.082 -2.193 405 H GLU 68 H GLU 68 -10.474 -2.664 0.347 406 HA GLU 68 HA GLU 68 -12.047 -0.577 -0.873 407 2HB GLU 68 2HB GLU 68 -10.947 0.317 1.707 408 2HG GLU 68 2HG GLU 68 -13.873 0.375 1.235 409 HE2 GLU 68 HE2 GLU 68 -11.318 2.541 0.622 410 H LEU 69 H LEU 69 -10.766 1.109 -1.732 411 HA LEU 69 HA LEU 69 -7.909 0.980 -1.123 412 2HB LEU 69 2HB LEU 69 -7.440 1.253 -3.554 413 HG LEU 69 HG LEU 69 -7.571 -1.007 -4.210 414 1HD1 LEU 69 1HD1 LEU 69 -6.244 -1.814 -2.608 415 2HD1 LEU 69 2HD1 LEU 69 -6.553 -0.286 -1.751 416 3HD1 LEU 69 3HD1 LEU 69 -7.525 -1.728 -1.375 417 1HD2 LEU 69 1HD2 LEU 69 -9.524 -2.060 -4.115 418 2HD2 LEU 69 2HD2 LEU 69 -9.201 -2.372 -2.392 419 3HD2 LEU 69 3HD2 LEU 69 -10.141 -0.939 -2.877 420 H HIS 70 H HIS 70 -6.982 2.969 -0.848 421 HA HIS 70 HA HIS 70 -8.370 5.263 -1.948 422 2HB HIS 70 2HB HIS 70 -7.974 6.329 0.439 423 HD1 HIS 70 HD1 HIS 70 -10.177 6.251 -1.804 424 HD2 HIS 70 HD2 HIS 70 -10.621 4.696 2.067 425 HE1 HIS 70 HE1 HIS 70 -12.686 6.192 -1.341 426 H ILE 71 H ILE 71 -6.972 6.975 -2.447 427 HA ILE 71 HA ILE 71 -4.201 6.659 -1.567 428 HB ILE 71 HB ILE 71 -5.256 6.516 -4.330 429 2HG1 ILE 71 2HG1 ILE 71 -3.132 5.173 -4.584 430 1HG2 ILE 71 1HG2 ILE 71 -4.137 8.721 -4.308 431 2HG2 ILE 71 2HG2 ILE 71 -2.647 7.936 -3.731 432 3HG2 ILE 71 3HG2 ILE 71 -3.303 7.529 -5.335 433 1HD1 ILE 71 1HD1 ILE 71 -1.746 4.725 -2.777 434 2HD1 ILE 71 2HD1 ILE 71 -2.219 6.391 -2.366 435 3HD1 ILE 71 3HD1 ILE 71 -3.035 5.015 -1.582 436 H ASP 72 H ASP 72 -3.141 8.595 -1.149 437 HA ASP 72 HA ASP 72 -4.533 11.006 -1.927 438 2HB ASP 72 2HB ASP 72 -4.674 11.895 0.265 439 HD2 ASP 72 HD2 ASP 72 -4.088 8.812 1.348 440 H GLY 73 H GLY 73 -3.036 12.758 -2.259 441 1HA GLY 73 1HA GLY 73 -0.226 12.241 -1.521 442 2HA GLY 73 2HA GLY 73 -0.662 12.669 -3.163 443 H ASN 74 H ASN 74 0.740 13.998 -0.588 444 HA ASN 74 HA ASN 74 -0.337 16.598 -1.240 445 2HB ASN 74 2HB ASN 74 0.096 16.956 1.445 446 1HD2 ASN 74 1HD2 ASN 74 -2.134 16.330 2.753 447 2HD2 ASN 74 2HD2 ASN 74 -3.559 16.868 1.928 448 H TYR 75 H TYR 75 1.324 18.226 -1.161 449 HA TYR 75 HA TYR 75 3.981 17.301 -1.256 450 2HB TYR 75 2HB TYR 75 3.220 19.280 -2.495 451 HD1 TYR 75 HD1 TYR 75 3.372 20.861 0.876 452 HD2 TYR 75 HD2 TYR 75 0.976 20.039 -2.572 453 HE1 TYR 75 HE1 TYR 75 1.574 22.436 1.741 454 HE2 TYR 75 HE2 TYR 75 -0.814 21.617 -1.695 455 HH TYR 75 HH TYR 75 -0.251 23.828 0.699 456 H GLN 76 H GLN 76 1.943 17.813 1.410 457 HA GLN 76 HA GLN 76 4.241 18.494 3.072 458 2HB GLN 76 2HB GLN 76 2.637 20.173 3.468 459 2HG GLN 76 2HG GLN 76 0.526 17.964 3.461 460 1HE2 GLN 76 1HE2 GLN 76 -0.447 20.869 2.228 461 2HE2 GLN 76 2HE2 GLN 76 -1.260 21.555 3.595 462 H LEU 77 H LEU 77 2.406 15.914 1.978 463 HA LEU 77 HA LEU 77 1.711 14.468 4.198 464 2HB LEU 77 2HB LEU 77 2.903 13.307 1.684 465 HG LEU 77 HG LEU 77 0.920 12.313 3.713 466 1HD1 LEU 77 1HD1 LEU 77 -0.482 12.005 1.928 467 2HD1 LEU 77 2HD1 LEU 77 0.852 11.854 0.758 468 3HD1 LEU 77 3HD1 LEU 77 0.470 10.502 1.851 469 1HD2 LEU 77 1HD2 LEU 77 3.446 11.702 3.565 470 2HD2 LEU 77 2HD2 LEU 77 2.241 10.419 3.828 471 3HD2 LEU 77 3HD2 LEU 77 2.935 10.670 2.208 472 H GLY 78 H GLY 78 4.923 14.734 2.567 473 1HA GLY 78 1HA GLY 78 6.598 14.750 4.600 474 2HA GLY 78 2HA GLY 78 6.126 13.063 4.642 475 H ARG 79 H ARG 79 5.660 13.369 1.522 476 HA ARG 79 HA ARG 79 6.852 13.363 -0.331 477 2HB ARG 79 2HB ARG 79 9.487 13.369 1.199 478 2HG ARG 79 2HG ARG 79 9.371 13.005 -1.344 479 2HD ARG 79 2HD ARG 79 7.589 15.167 -1.233 480 HE ARG 79 HE ARG 79 8.883 17.070 -1.566 481 1HH1 ARG 79 1HH1 ARG 79 10.677 14.298 -2.852 482 2HH1 ARG 79 2HH1 ARG 79 12.026 15.253 -3.369 483 2HH2 ARG 79 2HH2 ARG 79 11.997 17.622 -3.002 484 H ASN 80 H ASN 80 5.787 11.092 0.634 485 HA ASN 80 HA ASN 80 7.960 9.152 0.529 486 2HB ASN 80 2HB ASN 80 5.811 7.704 1.456 487 1HD2 ASN 80 1HD2 ASN 80 7.644 10.474 2.754 488 2HD2 ASN 80 2HD2 ASN 80 8.526 9.604 3.966 489 H VAL 81 H VAL 81 7.994 7.985 -1.399 490 HA VAL 81 HA VAL 81 5.459 7.802 -2.877 491 HB VAL 81 HB VAL 81 6.729 9.066 -4.272 492 1HG1 VAL 81 1HG1 VAL 81 9.228 8.793 -4.535 493 2HG1 VAL 81 2HG1 VAL 81 8.688 9.339 -2.929 494 3HG1 VAL 81 3HG1 VAL 81 9.173 7.645 -3.175 495 1HG2 VAL 81 1HG2 VAL 81 8.101 6.586 -5.210 496 2HG2 VAL 81 2HG2 VAL 81 6.323 6.562 -5.127 497 3HG2 VAL 81 3HG2 VAL 81 7.151 7.788 -6.117 498 H LEU 82 H LEU 82 4.596 5.808 -2.601 499 HA LEU 82 HA LEU 82 6.473 3.554 -2.731 500 2HB LEU 82 2HB LEU 82 5.113 2.369 -1.114 501 HG LEU 82 HG LEU 82 6.615 4.716 -0.411 502 1HD1 LEU 82 1HD1 LEU 82 4.544 4.154 1.688 503 2HD1 LEU 82 2HD1 LEU 82 5.609 5.566 1.485 504 3HD1 LEU 82 3HD1 LEU 82 4.217 5.338 0.400 505 1HD2 LEU 82 1HD2 LEU 82 6.987 2.180 -0.004 506 2HD2 LEU 82 2HD2 LEU 82 7.516 3.349 1.229 507 3HD2 LEU 82 3HD2 LEU 82 6.002 2.440 1.455 508 H LEU 83 H LEU 83 6.116 2.307 -4.480 509 HA LEU 83 HA LEU 83 3.396 2.361 -5.591 510 2HB LEU 83 2HB LEU 83 5.723 1.644 -7.291 511 HG LEU 83 HG LEU 83 3.023 2.365 -7.753 512 1HD1 LEU 83 1HD1 LEU 83 4.950 4.569 -8.369 513 2HD1 LEU 83 2HD1 LEU 83 3.629 4.229 -9.514 514 3HD1 LEU 83 3HD1 LEU 83 3.257 4.643 -7.823 515 1HD2 LEU 83 1HD2 LEU 83 4.774 2.370 -10.102 516 2HD2 LEU 83 2HD2 LEU 83 5.041 0.986 -9.016 517 3HD2 LEU 83 3HD2 LEU 83 3.418 1.299 -9.675 518 H LYS 84 H LYS 84 2.340 0.531 -5.038 519 HA LYS 84 HA LYS 84 3.884 -1.960 -5.216 520 2HB LYS 84 2HB LYS 84 2.993 -0.896 -2.858 521 2HG LYS 84 2HG LYS 84 0.965 -3.007 -3.731 522 2HD LYS 84 2HD LYS 84 0.097 -1.588 -1.448 523 2HE LYS 84 2HE LYS 84 0.139 -4.172 -2.200 524 1HZ LYS 84 1HZ LYS 84 2.696 -3.918 -1.331 525 2HZ LYS 84 2HZ LYS 84 1.969 -4.506 0.002 526 H ASN 85 H ASN 85 3.130 -3.266 -6.787 527 HA ASN 85 HA ASN 85 0.346 -2.854 -7.548 528 2HB ASN 85 2HB ASN 85 0.965 -3.558 -9.807 529 1HD2 ASN 85 1HD2 ASN 85 0.754 -1.593 -10.585 530 2HD2 ASN 85 2HD2 ASN 85 1.891 -0.294 -10.455 531 H GLY 86 H GLY 86 -0.926 -4.570 -6.833 532 1HA GLY 86 1HA GLY 86 0.354 -7.231 -6.633 533 2HA GLY 86 2HA GLY 86 -0.914 -6.642 -5.575 534 H GLU 87 H GLU 87 -0.329 -8.663 -8.156 535 HA GLU 87 HA GLU 87 -3.074 -8.328 -9.084 536 2HB GLU 87 2HB GLU 87 -1.734 -7.651 -10.936 537 2HG GLU 87 2HG GLU 87 0.047 -9.948 -10.080 538 HE2 GLU 87 HE2 GLU 87 1.921 -10.221 -11.948 539 H ASP 88 H ASP 88 -4.338 -10.063 -8.585 540 HA ASP 88 HA ASP 88 -2.998 -12.643 -8.479 541 2HB ASP 88 2HB ASP 88 -5.257 -11.923 -6.582 542 HD2 ASP 88 HD2 ASP 88 -4.109 -13.046 -4.342 543 H ARG 89 H ARG 89 -4.132 -14.178 -9.704 544 HA ARG 89 HA ARG 89 -6.967 -13.817 -10.008 545 2HB ARG 89 2HB ARG 89 -6.262 -12.611 -11.964 546 2HG ARG 89 2HG ARG 89 -4.074 -14.653 -11.982 547 2HD ARG 89 2HD ARG 89 -3.658 -14.159 -14.443 548 HE ARG 89 HE ARG 89 -5.887 -15.872 -13.507 549 1HH1 ARG 89 1HH1 ARG 89 -3.654 -15.061 -16.136 550 2HH1 ARG 89 2HH1 ARG 89 -3.883 -16.566 -16.961 551 2HH2 ARG 89 2HH2 ARG 89 -5.379 -18.196 -16.038 552 H LEU 90 H LEU 90 -7.957 -15.821 -9.852 553 HA LEU 90 HA LEU 90 -6.284 -18.155 -10.470 554 2HB LEU 90 2HB LEU 90 -7.972 -19.135 -8.627 555 HG LEU 90 HG LEU 90 -6.277 -18.890 -6.901 556 1HD1 LEU 90 1HD1 LEU 90 -4.324 -19.356 -8.943 557 2HD1 LEU 90 2HD1 LEU 90 -5.163 -20.527 -7.896 558 3HD1 LEU 90 3HD1 LEU 90 -5.880 -20.053 -9.455 559 1HD2 LEU 90 1HD2 LEU 90 -4.199 -17.491 -8.251 560 2HD2 LEU 90 2HD2 LEU 90 -5.658 -16.471 -8.280 561 3HD2 LEU 90 3HD2 LEU 90 -5.023 -17.072 -6.730 562 H ARG 91 H ARG 91 -7.444 -20.033 -11.294 563 HA ARG 91 HA ARG 91 -9.321 -19.291 -13.182 564 2HB ARG 91 2HB ARG 91 -7.877 -21.261 -13.475 565 2HG ARG 91 2HG ARG 91 -9.519 -22.698 -11.357 566 2HD ARG 91 2HD ARG 91 -6.972 -23.233 -12.921 567 HE ARG 91 HE ARG 91 -7.355 -23.905 -10.140 568 1HH1 ARG 91 1HH1 ARG 91 -6.224 -25.300 -13.194 569 2HH1 ARG 91 2HH1 ARG 91 -5.177 -26.446 -12.427 570 2HH2 ARG 91 2HH2 ARG 91 -5.045 -26.497 -10.034 571 H PHE 92 H PHE 92 -9.578 -20.436 -9.831 572 HA PHE 92 HA PHE 92 -12.165 -21.414 -9.850 573 2HB PHE 92 2HB PHE 92 -11.765 -20.085 -7.388 574 HD1 PHE 92 HD1 PHE 92 -12.802 -21.810 -6.234 575 HD2 PHE 92 HD2 PHE 92 -9.500 -22.718 -8.739 576 HE1 PHE 92 HE1 PHE 92 -12.820 -24.176 -5.398 577 HE2 PHE 92 HE2 PHE 92 -9.517 -25.085 -7.904 578 HZ PHE 92 HZ PHE 92 -11.176 -25.786 -6.243 579 H TYR 93 H TYR 93 -10.923 -18.083 -9.913 580 HA TYR 93 HA TYR 93 -13.526 -16.989 -9.262 581 2HB TYR 93 2HB TYR 93 -11.562 -15.123 -10.345 582 HD1 TYR 93 HD1 TYR 93 -13.678 -13.995 -9.282 583 HD2 TYR 93 HD2 TYR 93 -10.596 -15.912 -7.018 584 HE1 TYR 93 HE1 TYR 93 -14.376 -12.691 -7.215 585 HE2 TYR 93 HE2 TYR 93 -11.304 -14.602 -4.958 586 HH TYR 93 HH TYR 93 -12.480 -12.847 -4.262 587 H VAL 94 H VAL 94 -14.858 -15.805 -10.690 588 HA VAL 94 HA VAL 94 -14.328 -16.406 -13.504 589 HB VAL 94 HB VAL 94 -16.836 -15.684 -11.982 590 1HG1 VAL 94 1HG1 VAL 94 -16.225 -15.505 -14.844 591 2HG1 VAL 94 2HG1 VAL 94 -17.627 -16.543 -14.492 592 3HG1 VAL 94 3HG1 VAL 94 -17.603 -14.858 -13.922 593 1HG2 VAL 94 1HG2 VAL 94 -16.935 -18.144 -13.495 594 2HG2 VAL 94 2HG2 VAL 94 -15.527 -18.149 -12.404 595 3HG2 VAL 94 3HG2 VAL 94 -17.160 -17.879 -11.749 596 H LYS 95 H LYS 95 -14.320 -13.873 -11.121 597 HA LYS 95 HA LYS 95 -14.691 -11.796 -13.107 598 2HB LYS 95 2HB LYS 95 -13.863 -11.132 -10.332 599 2HG LYS 95 2HG LYS 95 -15.983 -9.661 -10.694 600 2HD LYS 95 2HD LYS 95 -14.701 -8.184 -12.405 601 2HE LYS 95 2HE LYS 95 -12.695 -8.797 -10.321 602 1HZ LYS 95 1HZ LYS 95 -14.400 -6.437 -10.246 603 2HZ LYS 95 2HZ LYS 95 -12.778 -6.535 -10.132 604 H PHE 96 H PHE 96 -12.122 -13.241 -11.034 605 HA PHE 96 HA PHE 96 -9.935 -12.746 -10.915 606 2HB PHE 96 2HB PHE 96 -10.282 -14.413 -12.786 607 HD1 PHE 96 HD1 PHE 96 -12.453 -13.794 -13.967 608 HD2 PHE 96 HD2 PHE 96 -8.699 -12.129 -15.036 609 HE1 PHE 96 HE1 PHE 96 -13.381 -13.136 -16.205 610 HE2 PHE 96 HE2 PHE 96 -9.627 -11.472 -17.273 611 HZ PHE 96 HZ PHE 96 -11.958 -11.984 -17.831 612 H GLY 97 H GLY 97 -10.601 -10.367 -10.379 613 1HA GLY 97 1HA GLY 97 -9.847 -8.517 -12.529 614 2HA GLY 97 2HA GLY 97 -10.655 -8.120 -11.026 615 HA PRO 98 HA PRO 98 -5.929 -8.390 -10.480 616 2HB PRO 98 2HB PRO 98 -4.748 -8.959 -12.372 617 2HG PRO 98 2HG PRO 98 -5.955 -8.838 -14.334 618 2HD PRO 98 2HD PRO 98 -8.090 -9.085 -13.516 619 H GLY 99 H GLY 99 -6.053 -7.050 -8.770 620 1HA GLY 99 1HA GLY 99 -6.773 -4.310 -9.178 621 2HA GLY 99 2HA GLY 99 -6.260 -5.074 -7.687 622 H ALA 100 H ALA 100 -5.163 -3.507 -10.706 623 HA ALA 100 HA ALA 100 -2.426 -3.470 -9.690 624 1HB ALA 100 1HB ALA 100 -3.481 -2.465 -12.356 625 2HB ALA 100 2HB ALA 100 -1.803 -2.876 -11.924 626 3HB ALA 100 3HB ALA 100 -3.025 -4.161 -12.072 627 H VAL 101 H VAL 101 -1.317 -1.190 -10.379 628 HA VAL 101 HA VAL 101 -2.390 0.678 -8.601 629 HB VAL 101 HB VAL 101 0.005 0.275 -9.601 630 1HG1 VAL 101 1HG1 VAL 101 0.663 1.575 -11.419 631 2HG1 VAL 101 2HG1 VAL 101 -0.938 0.983 -11.925 632 3HG1 VAL 101 3HG1 VAL 101 -0.757 2.642 -11.304 633 1HG2 VAL 101 1HG2 VAL 101 0.354 1.829 -8.038 634 2HG2 VAL 101 2HG2 VAL 101 0.029 3.077 -9.264 635 3HG2 VAL 101 3HG2 VAL 101 -1.294 2.468 -8.241 636 H ILE 102 H ILE 102 -2.714 0.202 -12.137 637 HA ILE 102 HA ILE 102 -3.893 2.682 -12.682 638 HB ILE 102 HB ILE 102 -2.875 1.038 -14.289 639 2HG1 ILE 102 2HG1 ILE 102 -4.301 3.075 -14.858 640 1HG2 ILE 102 1HG2 ILE 102 -4.479 -0.823 -13.259 641 2HG2 ILE 102 2HG2 ILE 102 -5.529 -0.282 -14.590 642 3HG2 ILE 102 3HG2 ILE 102 -3.893 -0.889 -14.938 643 1HD1 ILE 102 1HD1 ILE 102 -2.973 1.494 -16.480 644 2HD1 ILE 102 2HD1 ILE 102 -4.581 0.883 -16.934 645 3HD1 ILE 102 3HD1 ILE 102 -4.183 2.603 -17.170 646 H LYS 103 H LYS 103 -5.180 -0.441 -11.488 647 HA LYS 103 HA LYS 103 -7.889 0.226 -11.830 648 2HB LYS 103 2HB LYS 103 -8.324 -1.697 -10.436 649 2HG LYS 103 2HG LYS 103 -7.006 -3.396 -11.619 650 2HD LYS 103 2HD LYS 103 -6.979 -1.399 -13.799 651 2HE LYS 103 2HE LYS 103 -9.141 -3.192 -14.082 652 1HZ LYS 103 1HZ LYS 103 -7.861 -3.927 -15.833 653 2HZ LYS 103 2HZ LYS 103 -7.064 -2.536 -15.547 654 H GLU 104 H GLU 104 -5.468 0.881 -9.285 655 HA GLU 104 HA GLU 104 -7.050 1.536 -7.215 656 2HB GLU 104 2HB GLU 104 -4.408 1.696 -7.667 657 2HG GLU 104 2HG GLU 104 -4.870 3.880 -9.023 658 HE2 GLU 104 HE2 GLU 104 -5.318 6.858 -7.064 659 H PHE 105 H PHE 105 -6.425 3.428 -10.193 660 HA PHE 105 HA PHE 105 -7.329 5.884 -9.489 661 2HB PHE 105 2HB PHE 105 -8.361 4.658 -12.050 662 HD1 PHE 105 HD1 PHE 105 -6.324 5.853 -13.842 663 HD2 PHE 105 HD2 PHE 105 -8.220 7.436 -10.391 664 HE1 PHE 105 HE1 PHE 105 -5.970 8.181 -14.715 665 HE2 PHE 105 HE2 PHE 105 -7.865 9.763 -11.263 666 HZ PHE 105 HZ PHE 105 -6.746 10.107 -13.414 667 H LYS 106 H LYS 106 -9.240 2.917 -10.097 668 HA LYS 106 HA LYS 106 -11.725 3.947 -10.478 669 2HB LYS 106 2HB LYS 106 -11.007 1.533 -10.498 670 2HG LYS 106 2HG LYS 106 -11.727 1.549 -7.549 671 2HD LYS 106 2HD LYS 106 -9.855 -0.396 -8.873 672 2HE LYS 106 2HE LYS 106 -10.914 -0.257 -6.373 673 1HZ LYS 106 1HZ LYS 106 -12.645 -2.345 -7.119 674 2HZ LYS 106 2HZ LYS 106 -13.028 -0.970 -6.337 675 H ILE 107 H ILE 107 -9.700 4.119 -7.607 676 HA ILE 107 HA ILE 107 -11.399 4.349 -5.552 677 HB ILE 107 HB ILE 107 -8.983 4.592 -5.420 678 2HG1 ILE 107 2HG1 ILE 107 -9.744 5.239 -3.394 679 1HG2 ILE 107 1HG2 ILE 107 -9.205 7.475 -6.250 680 2HG2 ILE 107 2HG2 ILE 107 -7.765 6.435 -6.132 681 3HG2 ILE 107 3HG2 ILE 107 -8.932 6.192 -7.453 682 1HD1 ILE 107 1HD1 ILE 107 -8.862 7.336 -2.728 683 2HD1 ILE 107 2HD1 ILE 107 -7.888 6.914 -4.156 684 3HD1 ILE 107 3HD1 ILE 107 -9.220 8.086 -4.301 685 H THR 108 H THR 108 -10.873 6.782 -8.154 686 HA THR 108 HA THR 108 -13.409 8.005 -7.343 687 HB THR 108 HB THR 108 -12.261 10.263 -7.745 688 HG1 THR 108 HG1 THR 108 -10.378 9.569 -8.844 689 1HG2 THR 108 1HG2 THR 108 -10.660 8.851 -5.606 690 2HG2 THR 108 2HG2 THR 108 -11.456 10.442 -5.547 691 3HG2 THR 108 3HG2 THR 108 -12.423 8.956 -5.393 692 H ASP 109 H ASP 109 -10.799 7.703 -9.818 693 HA ASP 109 HA ASP 109 -11.872 8.884 -11.906 694 2HB ASP 109 2HB ASP 109 -10.438 6.246 -11.606 695 HD2 ASP 109 HD2 ASP 109 -11.167 4.806 -14.381 Start of MODEL 14 1 1H MET 1 1H MET 1 6.722 16.561 -6.839 2 HA MET 1 HA MET 1 5.094 16.471 -4.713 3 2HB MET 1 2HB MET 1 4.354 14.606 -6.943 4 2HG MET 1 2HG MET 1 2.926 17.172 -6.703 5 1HE MET 1 1HE MET 1 0.675 16.724 -5.479 6 2HE MET 1 2HE MET 1 -0.425 15.914 -6.621 7 3HE MET 1 3HE MET 1 0.075 15.084 -5.129 8 H SER 2 H SER 2 3.863 14.730 -3.627 9 HA SER 2 HA SER 2 5.151 12.142 -3.776 10 2HB SER 2 2HB SER 2 5.785 13.914 -1.735 11 HG SER 2 HG SER 2 3.974 13.799 -0.495 12 H GLU 3 H GLU 3 3.575 10.590 -3.977 13 HA GLU 3 HA GLU 3 1.090 11.033 -2.570 14 2HB GLU 3 2HB GLU 3 -0.230 10.399 -4.612 15 2HG GLU 3 2HG GLU 3 1.568 12.851 -4.903 16 HE2 GLU 3 HE2 GLU 3 -1.446 14.067 -6.189 17 H VAL 4 H VAL 4 0.122 9.105 -1.843 18 HA VAL 4 HA VAL 4 1.604 6.669 -2.559 19 HB VAL 4 HB VAL 4 1.824 7.627 -0.210 20 1HG1 VAL 4 1HG1 VAL 4 -0.862 7.913 -0.270 21 2HG1 VAL 4 2HG1 VAL 4 -0.744 6.325 0.525 22 3HG1 VAL 4 3HG1 VAL 4 0.075 7.736 1.234 23 1HG2 VAL 4 1HG2 VAL 4 1.559 5.344 0.844 24 2HG2 VAL 4 2HG2 VAL 4 0.864 4.794 -0.700 25 3HG2 VAL 4 3HG2 VAL 4 2.539 5.391 -0.641 26 H ASN 5 H ASN 5 0.459 5.058 -3.522 27 HA ASN 5 HA ASN 5 -2.396 5.028 -3.082 28 2HB ASN 5 2HB ASN 5 -2.269 6.286 -5.156 29 1HD2 ASN 5 1HD2 ASN 5 -0.355 7.118 -5.789 30 2HD2 ASN 5 2HD2 ASN 5 0.778 6.325 -6.833 31 H ILE 6 H ILE 6 -2.865 2.895 -2.527 32 HA ILE 6 HA ILE 6 -1.474 0.778 -3.965 33 HB ILE 6 HB ILE 6 -1.312 1.314 -1.031 34 2HG1 ILE 6 2HG1 ILE 6 0.521 0.860 -3.302 35 1HG2 ILE 6 1HG2 ILE 6 -1.126 -1.457 -2.244 36 2HG2 ILE 6 2HG2 ILE 6 -0.811 -1.008 -0.551 37 3HG2 ILE 6 3HG2 ILE 6 -2.454 -0.863 -1.218 38 1HD1 ILE 6 1HD1 ILE 6 0.129 2.923 -1.658 39 2HD1 ILE 6 2HD1 ILE 6 1.239 2.011 -0.608 40 3HD1 ILE 6 3HD1 ILE 6 1.765 2.519 -2.231 41 H VAL 7 H VAL 7 -2.895 -0.744 -4.645 42 HA VAL 7 HA VAL 7 -5.447 -0.887 -3.195 43 HB VAL 7 HB VAL 7 -6.655 -0.922 -5.168 44 1HG1 VAL 7 1HG1 VAL 7 -4.846 0.936 -6.467 45 2HG1 VAL 7 2HG1 VAL 7 -6.400 1.242 -5.656 46 3HG1 VAL 7 3HG1 VAL 7 -4.893 1.217 -4.711 47 1HG2 VAL 7 1HG2 VAL 7 -5.306 -2.591 -6.360 48 2HG2 VAL 7 2HG2 VAL 7 -5.705 -1.214 -7.415 49 3HG2 VAL 7 3HG2 VAL 7 -4.075 -1.355 -6.713 50 H VAL 8 H VAL 8 -5.914 -2.890 -2.438 51 HA VAL 8 HA VAL 8 -4.401 -5.111 -3.632 52 HB VAL 8 HB VAL 8 -5.345 -4.666 -0.795 53 1HG1 VAL 8 1HG1 VAL 8 -5.334 -7.092 -1.918 54 2HG1 VAL 8 2HG1 VAL 8 -3.603 -6.980 -1.520 55 3HG1 VAL 8 3HG1 VAL 8 -4.824 -6.819 -0.234 56 1HG2 VAL 8 1HG2 VAL 8 -3.298 -3.412 -1.562 57 2HG2 VAL 8 2HG2 VAL 8 -3.030 -4.526 -0.200 58 3HG2 VAL 8 3HG2 VAL 8 -2.517 -4.987 -1.841 59 H ASN 9 H ASN 9 -5.656 -6.412 -4.855 60 HA ASN 9 HA ASN 9 -8.461 -6.574 -4.075 61 2HB ASN 9 2HB ASN 9 -8.740 -7.357 -6.546 62 1HD2 ASN 9 1HD2 ASN 9 -6.581 -4.669 -6.803 63 2HD2 ASN 9 2HD2 ASN 9 -7.751 -3.392 -6.839 64 H GLY 10 H GLY 10 -8.779 -8.537 -3.004 65 1HA GLY 10 1HA GLY 10 -8.962 -10.817 -2.897 66 2HA GLY 10 2HA GLY 10 -7.912 -10.987 -4.290 67 H ARG 11 H ARG 11 -7.290 -9.110 -1.262 68 HA ARG 11 HA ARG 11 -5.410 -9.057 -0.104 69 2HB ARG 11 2HB ARG 11 -6.853 -10.489 1.253 70 2HG ARG 11 2HG ARG 11 -5.903 -12.627 -0.670 71 2HD ARG 11 2HD ARG 11 -7.351 -13.858 1.466 72 HE ARG 11 HE ARG 11 -4.707 -14.172 0.209 73 1HH1 ARG 11 1HH1 ARG 11 -6.960 -15.423 2.640 74 2HH1 ARG 11 2HH1 ARG 11 -6.229 -16.992 2.691 75 2HH2 ARG 11 2HH2 ARG 11 -4.338 -17.451 1.292 76 H GLU 12 H GLU 12 -4.303 -9.106 -2.480 77 HA GLU 12 HA GLU 12 -2.643 -11.482 -2.657 78 2HB GLU 12 2HB GLU 12 -3.202 -9.244 -4.650 79 2HG GLU 12 2HG GLU 12 -1.757 -11.800 -5.348 80 HE2 GLU 12 HE2 GLU 12 -1.512 -8.324 -7.377 81 H ALA 13 H ALA 13 -0.543 -11.418 -1.973 82 HA ALA 13 HA ALA 13 0.746 -8.785 -1.869 83 1HB ALA 13 1HB ALA 13 -0.180 -9.675 0.381 84 2HB ALA 13 2HB ALA 13 1.116 -10.890 0.277 85 3HB ALA 13 3HB ALA 13 1.522 -9.157 0.331 86 H GLY 14 H GLY 14 3.239 -9.146 -1.510 87 1HA GLY 14 1HA GLY 14 4.443 -11.571 -2.228 88 2HA GLY 14 2HA GLY 14 4.193 -10.640 -3.692 89 H SER 15 H SER 15 5.049 -9.718 -0.276 90 HA SER 15 HA SER 15 7.633 -8.891 -1.174 91 2HB SER 15 2HB SER 15 7.406 -6.611 -1.032 92 HG SER 15 HG SER 15 4.779 -6.247 -1.197 93 H LYS 16 H LYS 16 8.655 -7.585 0.952 94 HA LYS 16 HA LYS 16 8.365 -9.529 3.062 95 2HB LYS 16 2HB LYS 16 10.573 -8.657 2.158 96 2HG LYS 16 2HG LYS 16 10.737 -6.452 4.019 97 2HD LYS 16 2HD LYS 16 11.297 -7.054 1.158 98 2HE LYS 16 2HE LYS 16 11.657 -4.597 0.654 99 1HZ LYS 16 1HZ LYS 16 9.652 -5.721 -0.159 100 2HZ LYS 16 2HZ LYS 16 8.846 -5.386 1.216 101 H SER 17 H SER 17 6.413 -7.129 2.190 102 HA SER 17 HA SER 17 6.257 -5.295 4.137 103 2HB SER 17 2HB SER 17 4.126 -4.861 3.341 104 HG SER 17 HG SER 17 4.048 -5.396 1.190 105 H LYS 18 H LYS 18 5.330 -8.748 4.277 106 HA LYS 18 HA LYS 18 3.773 -8.765 6.532 107 2HB LYS 18 2HB LYS 18 4.687 -11.115 6.818 108 2HG LYS 18 2HG LYS 18 3.353 -9.943 4.419 109 2HD LYS 18 2HD LYS 18 4.676 -12.685 4.413 110 2HE LYS 18 2HE LYS 18 1.993 -12.075 3.577 111 1HZ LYS 18 1HZ LYS 18 2.146 -12.459 1.244 112 2HZ LYS 18 2HZ LYS 18 3.201 -11.251 1.532 113 H GLY 19 H GLY 19 7.191 -8.043 6.177 114 1HA GLY 19 1HA GLY 19 7.777 -8.490 8.987 115 2HA GLY 19 2HA GLY 19 8.865 -7.913 7.740 116 H CYS 20 H CYS 20 9.654 -6.013 8.635 117 HA CYS 20 HA CYS 20 7.659 -4.120 9.615 118 2HB CYS 20 2HB CYS 20 9.540 -2.971 10.707 119 HG CYS 20 HG CYS 20 8.072 -4.753 11.980 120 H ALA 21 H ALA 21 8.429 -1.699 9.108 121 HA ALA 21 HA ALA 21 8.412 -1.461 6.290 122 1HB ALA 21 1HB ALA 21 8.082 0.204 8.655 123 2HB ALA 21 2HB ALA 21 9.084 1.026 7.434 124 3HB ALA 21 3HB ALA 21 7.456 0.445 7.005 125 H LEU 22 H LEU 22 10.858 -0.532 8.820 126 HA LEU 22 HA LEU 22 12.832 0.270 7.089 127 2HB LEU 22 2HB LEU 22 12.962 -1.000 9.821 128 HG LEU 22 HG LEU 22 15.149 0.373 9.956 129 1HD1 LEU 22 1HD1 LEU 22 14.594 -2.327 9.536 130 2HD1 LEU 22 2HD1 LEU 22 15.903 -1.951 8.390 131 3HD1 LEU 22 3HD1 LEU 22 16.117 -1.620 10.125 132 1HD2 LEU 22 1HD2 LEU 22 15.255 1.523 7.929 133 2HD2 LEU 22 2HD2 LEU 22 16.428 0.198 7.730 134 3HD2 LEU 22 3HD2 LEU 22 14.820 0.084 6.975 135 H CYS 23 H CYS 23 12.445 -3.019 8.595 136 HA CYS 23 HA CYS 23 13.640 -4.093 6.163 137 2HB CYS 23 2HB CYS 23 14.465 -5.419 8.692 138 HG CYS 23 HG CYS 23 14.905 -5.640 5.735 139 H GLY 24 H GLY 24 13.189 -6.553 6.054 140 1HA GLY 24 1HA GLY 24 10.709 -7.219 7.520 141 2HA GLY 24 2HA GLY 24 10.861 -7.459 5.790 142 H ALA 25 H ALA 25 11.961 -8.528 9.010 143 HA ALA 25 HA ALA 25 13.240 -10.841 7.725 144 1HB ALA 25 1HB ALA 25 14.684 -10.967 9.594 145 2HB ALA 25 2HB ALA 25 14.563 -9.224 9.256 146 3HB ALA 25 3HB ALA 25 13.629 -9.938 10.591 147 H THR 26 H THR 26 10.494 -9.698 9.467 148 HA THR 26 HA THR 26 9.891 -12.444 10.349 149 HB THR 26 HB THR 26 8.877 -9.745 11.390 150 HG1 THR 26 HG1 THR 26 10.274 -10.613 13.228 151 1HG2 THR 26 1HG2 THR 26 7.209 -11.311 12.046 152 2HG2 THR 26 2HG2 THR 26 8.380 -12.647 12.153 153 3HG2 THR 26 3HG2 THR 26 8.358 -11.380 13.402 154 H TRP 27 H TRP 27 7.375 -12.776 10.468 155 HA TRP 27 HA TRP 27 6.066 -11.496 8.209 156 2HB TRP 27 2HB TRP 27 6.701 -13.172 6.864 157 HD1 TRP 27 HD1 TRP 27 9.177 -14.086 7.477 158 HE1 TRP 27 HE1 TRP 27 10.140 -16.259 8.624 159 HE3 TRP 27 HE3 TRP 27 4.763 -15.619 9.481 160 HZ2 TRP 27 HZ2 TRP 27 8.973 -18.328 10.206 161 HZ3 TRP 27 HZ3 TRP 27 4.762 -17.726 10.813 162 HH2 TRP 27 HH2 TRP 27 6.771 -19.066 11.189 163 H GLY 28 H GLY 28 3.805 -11.411 8.520 164 1HA GLY 28 1HA GLY 28 2.762 -12.818 10.895 165 2HA GLY 28 2HA GLY 28 2.529 -11.093 10.698 166 H ASP 29 H ASP 29 0.712 -13.663 10.618 167 HA ASP 29 HA ASP 29 -0.475 -13.112 8.019 168 2HB ASP 29 2HB ASP 29 -1.782 -15.270 8.549 169 HD2 ASP 29 HD2 ASP 29 1.843 -15.708 9.068 170 H TYR 30 H TYR 30 -0.868 -13.069 11.551 171 HA TYR 30 HA TYR 30 -3.703 -12.407 11.309 172 2HB TYR 30 2HB TYR 30 -3.597 -13.698 13.243 173 HD1 TYR 30 HD1 TYR 30 -2.343 -15.657 12.534 174 HD2 TYR 30 HD2 TYR 30 -0.342 -12.283 14.240 175 HE1 TYR 30 HE1 TYR 30 -0.241 -17.054 12.846 176 HE2 TYR 30 HE2 TYR 30 1.753 -13.690 14.547 177 HH TYR 30 HH TYR 30 2.759 -15.649 13.594 178 H HIS 31 H HIS 31 -0.806 -10.795 11.052 179 HA HIS 31 HA HIS 31 -1.567 -8.567 12.734 180 2HB HIS 31 2HB HIS 31 0.593 -7.684 12.280 181 HD1 HIS 31 HD1 HIS 31 1.886 -8.425 14.272 182 HD2 HIS 31 HD2 HIS 31 0.726 -11.662 11.869 183 HE1 HIS 31 HE1 HIS 31 2.845 -10.516 15.378 184 H ALA 32 H ALA 32 -1.337 -6.292 11.656 185 HA ALA 32 HA ALA 32 -2.680 -6.427 9.043 186 1HB ALA 32 1HB ALA 32 -4.378 -5.376 10.082 187 2HB ALA 32 2HB ALA 32 -3.419 -5.170 11.568 188 3HB ALA 32 3HB ALA 32 -3.302 -3.970 10.259 189 H ASP 33 H ASP 33 -2.132 -4.749 7.507 190 HA ASP 33 HA ASP 33 0.138 -3.127 8.245 191 2HB ASP 33 2HB ASP 33 1.533 -4.605 7.194 192 HD2 ASP 33 HD2 ASP 33 -1.335 -4.957 5.325 193 H PHE 34 H PHE 34 0.173 -1.144 7.013 194 HA PHE 34 HA PHE 34 -2.245 -0.675 5.490 195 2HB PHE 34 2HB PHE 34 -1.754 1.074 7.039 196 HD1 PHE 34 HD1 PHE 34 -0.419 2.018 8.706 197 HD2 PHE 34 HD2 PHE 34 1.442 0.078 5.422 198 HE1 PHE 34 HE1 PHE 34 1.806 2.214 9.851 199 HE2 PHE 34 HE2 PHE 34 3.667 0.274 6.567 200 HZ PHE 34 HZ PHE 34 3.823 1.339 8.768 201 H LEU 35 H LEU 35 -1.737 1.130 3.614 202 HA LEU 35 HA LEU 35 -0.682 -0.275 1.512 203 2HB LEU 35 2HB LEU 35 -2.031 1.427 0.861 204 HG LEU 35 HG LEU 35 -2.217 2.730 2.897 205 1HD1 LEU 35 1HD1 LEU 35 -0.383 4.551 3.238 206 2HD1 LEU 35 2HD1 LEU 35 -0.122 2.901 3.851 207 3HD1 LEU 35 3HD1 LEU 35 0.650 3.418 2.333 208 1HD2 LEU 35 1HD2 LEU 35 -3.154 4.041 1.309 209 2HD2 LEU 35 2HD2 LEU 35 -1.783 5.103 1.714 210 3HD2 LEU 35 3HD2 LEU 35 -1.697 4.043 0.286 211 H GLY 36 H GLY 36 0.962 1.361 4.113 212 1HA GLY 36 1HA GLY 36 3.372 2.045 2.844 213 2HA GLY 36 2HA GLY 36 3.136 1.725 4.550 214 H GLU 37 H GLU 37 1.921 -1.034 3.278 215 HA GLU 37 HA GLU 37 2.636 -3.087 3.215 216 2HB GLU 37 2HB GLU 37 4.713 -3.495 1.733 217 2HG GLU 37 2HG GLU 37 3.547 -2.561 -0.326 218 HE2 GLU 37 HE2 GLU 37 1.866 -5.557 -0.078 219 H ASP 38 H ASP 38 3.062 -2.330 5.685 220 HA ASP 38 HA ASP 38 5.601 -3.531 6.300 221 2HB ASP 38 2HB ASP 38 5.327 -0.739 6.365 222 HD2 ASP 38 HD2 ASP 38 6.557 -1.410 9.546 223 H LEU 39 H LEU 39 5.579 -4.447 8.509 224 HA LEU 39 HA LEU 39 2.872 -4.532 9.636 225 2HB LEU 39 2HB LEU 39 4.872 -6.566 10.405 226 HG LEU 39 HG LEU 39 2.310 -6.545 10.916 227 1HD1 LEU 39 1HD1 LEU 39 1.191 -8.023 9.059 228 2HD1 LEU 39 2HD1 LEU 39 1.226 -6.250 8.913 229 3HD1 LEU 39 3HD1 LEU 39 2.392 -7.241 8.004 230 1HD2 LEU 39 1HD2 LEU 39 2.928 -8.524 11.699 231 2HD2 LEU 39 2HD2 LEU 39 2.631 -9.222 10.088 232 3HD2 LEU 39 3HD2 LEU 39 4.254 -8.627 10.515 233 H PHE 40 H PHE 40 2.550 -3.441 11.494 234 HA PHE 40 HA PHE 40 4.939 -2.731 13.027 235 2HB PHE 40 2HB PHE 40 3.520 -0.865 12.215 236 HD1 PHE 40 HD1 PHE 40 1.682 -1.222 10.745 237 HD2 PHE 40 HD2 PHE 40 1.259 -2.022 14.891 238 HE1 PHE 40 HE1 PHE 40 -0.804 -1.416 10.454 239 HE2 PHE 40 HE2 PHE 40 -1.226 -2.216 14.600 240 HZ PHE 40 HZ PHE 40 -2.228 -1.912 12.385 241 H PHE 41 H PHE 41 2.004 -4.650 13.046 242 HA PHE 41 HA PHE 41 1.774 -4.767 15.886 243 2HB PHE 41 2HB PHE 41 0.517 -7.010 14.706 244 HD1 PHE 41 HD1 PHE 41 -1.639 -5.088 13.173 245 HD2 PHE 41 HD2 PHE 41 0.070 -5.310 17.051 246 HE1 PHE 41 HE1 PHE 41 -3.667 -3.963 14.131 247 HE2 PHE 41 HE2 PHE 41 -1.959 -4.185 18.009 248 HZ PHE 41 HZ PHE 41 -3.804 -3.525 16.537 249 H CYS 42 H CYS 42 4.160 -5.891 13.857 250 HA CYS 42 HA CYS 42 4.415 -8.470 15.167 251 2HB CYS 42 2HB CYS 42 5.645 -7.205 12.739 252 HG CYS 42 HG CYS 42 7.884 -7.800 13.383 253 H CYS 43 H CYS 43 6.435 -5.522 14.436 254 HA CYS 43 HA CYS 43 7.950 -6.126 16.862 255 2HB CYS 43 2HB CYS 43 8.908 -4.086 14.899 256 HG CYS 43 HG CYS 43 11.308 -5.070 15.350 257 H ASP 44 H ASP 44 6.679 -3.329 14.898 258 HA ASP 44 HA ASP 44 5.616 -1.523 15.492 259 2HB ASP 44 2HB ASP 44 5.583 -2.012 18.441 260 HD2 ASP 44 HD2 ASP 44 2.238 -0.878 18.306 261 H ILE 45 H ILE 45 8.653 -2.253 16.006 262 HA ILE 45 HA ILE 45 9.282 -0.039 17.820 263 HB ILE 45 HB ILE 45 10.859 -2.446 16.921 264 2HG1 ILE 45 2HG1 ILE 45 9.010 -2.358 18.858 265 1HG2 ILE 45 1HG2 ILE 45 12.132 -0.861 18.987 266 2HG2 ILE 45 2HG2 ILE 45 12.786 -1.475 17.449 267 3HG2 ILE 45 3HG2 ILE 45 11.917 0.077 17.489 268 1HD1 ILE 45 1HD1 ILE 45 11.404 -3.929 18.284 269 2HD1 ILE 45 2HD1 ILE 45 11.089 -3.871 20.035 270 3HD1 ILE 45 3HD1 ILE 45 9.833 -4.468 18.924 271 H CYS 46 H CYS 46 10.567 -1.564 14.776 272 HA CYS 46 HA CYS 46 11.466 1.084 13.986 273 2HB CYS 46 2HB CYS 46 13.095 -0.763 13.881 274 HG CYS 46 HG CYS 46 11.225 -1.803 11.364 275 H ALA 47 H ALA 47 8.793 -1.021 13.705 276 HA ALA 47 HA ALA 47 8.119 -0.061 11.024 277 1HB ALA 47 1HB ALA 47 6.142 -1.804 11.696 278 2HB ALA 47 2HB ALA 47 7.669 -2.297 10.929 279 3HB ALA 47 3HB ALA 47 7.472 -2.440 12.692 280 H ALA 48 H ALA 48 5.648 0.442 10.784 281 HA ALA 48 HA ALA 48 3.891 1.681 11.320 282 1HB ALA 48 1HB ALA 48 4.676 0.479 13.851 283 2HB ALA 48 2HB ALA 48 3.989 2.100 14.106 284 3HB ALA 48 3HB ALA 48 3.050 0.862 13.239 285 H GLU 49 H GLU 49 5.589 3.165 10.151 286 HA GLU 49 HA GLU 49 6.693 5.152 11.889 287 2HB GLU 49 2HB GLU 49 6.611 5.281 8.856 288 2HG GLU 49 2HG GLU 49 7.575 7.240 9.955 289 HE2 GLU 49 HE2 GLU 49 10.469 5.650 12.071 290 H PHE 50 H PHE 50 6.137 7.440 11.827 291 HA PHE 50 HA PHE 50 3.334 7.838 11.566 292 2HB PHE 50 2HB PHE 50 5.637 9.846 11.913 293 HD1 PHE 50 HD1 PHE 50 5.019 12.029 12.337 294 HD2 PHE 50 HD2 PHE 50 2.167 8.951 12.963 295 HE1 PHE 50 HE1 PHE 50 3.270 13.755 12.848 296 HE2 PHE 50 HE2 PHE 50 0.417 10.677 13.475 297 HZ PHE 50 HZ PHE 50 0.990 13.058 13.411 298 H MET 51 H MET 51 5.715 7.642 9.238 299 HA MET 51 HA MET 51 5.280 9.943 7.745 300 2HB MET 51 2HB MET 51 5.868 7.722 6.002 301 2HG MET 51 2HG MET 51 7.073 10.180 6.886 302 1HE MET 51 1HE MET 51 9.638 7.729 5.293 303 2HE MET 51 2HE MET 51 10.214 6.819 6.710 304 3HE MET 51 3HE MET 51 8.525 6.652 6.170 305 H ASN 52 H ASN 52 3.471 6.905 8.069 306 HA ASN 52 HA ASN 52 1.811 7.707 5.826 307 2HB ASN 52 2HB ASN 52 0.841 5.369 6.079 308 1HD2 ASN 52 1HD2 ASN 52 1.670 5.765 3.974 309 2HD2 ASN 52 2HD2 ASN 52 3.214 5.157 3.480 310 H MET 53 H MET 53 -0.634 7.479 6.189 311 HA MET 53 HA MET 53 -1.263 8.539 8.784 312 2HB MET 53 2HB MET 53 -3.631 8.220 7.225 313 2HG MET 53 2HG MET 53 -2.895 10.247 8.561 314 1HE MET 53 1HE MET 53 0.429 11.764 8.647 315 2HE MET 53 2HE MET 53 -1.237 12.199 9.100 316 3HE MET 53 3HE MET 53 -0.647 10.541 9.363 317 H MET 54 H MET 54 -3.339 7.745 9.906 318 HA MET 54 HA MET 54 -3.022 5.035 10.456 319 2HB MET 54 2HB MET 54 -5.545 6.655 11.036 320 2HG MET 54 2HG MET 54 -4.288 5.280 13.281 321 1HE MET 54 1HE MET 54 -7.578 5.304 14.880 322 2HE MET 54 2HE MET 54 -5.973 4.540 14.986 323 3HE MET 54 3HE MET 54 -6.109 6.288 14.674 324 H ASP 55 H ASP 55 -5.546 6.862 8.605 325 HA ASP 55 HA ASP 55 -7.322 4.944 8.125 326 2HB ASP 55 2HB ASP 55 -6.910 6.149 5.580 327 HD2 ASP 55 HD2 ASP 55 -9.093 6.086 8.434 328 H GLU 56 H GLU 56 -4.045 5.332 6.720 329 HA GLU 56 HA GLU 56 -4.160 3.739 4.557 330 2HB GLU 56 2HB GLU 56 -1.768 3.434 4.805 331 2HG GLU 56 2HG GLU 56 -1.050 5.743 5.585 332 HE2 GLU 56 HE2 GLU 56 -3.702 5.376 2.647 333 H ALA 57 H ALA 57 -3.564 2.693 7.982 334 HA ALA 57 HA ALA 57 -3.371 -0.041 7.358 335 1HB ALA 57 1HB ALA 57 -2.773 -0.097 9.525 336 2HB ALA 57 2HB ALA 57 -3.100 1.651 9.606 337 3HB ALA 57 3HB ALA 57 -4.377 0.486 10.031 338 H PHE 58 H PHE 58 -6.098 2.148 8.178 339 HA PHE 58 HA PHE 58 -8.064 0.406 8.767 340 2HB PHE 58 2HB PHE 58 -8.479 2.579 6.669 341 HD1 PHE 58 HD1 PHE 58 -10.522 0.684 7.088 342 HD2 PHE 58 HD2 PHE 58 -9.507 3.990 9.547 343 HE1 PHE 58 HE1 PHE 58 -12.865 0.737 7.986 344 HE2 PHE 58 HE2 PHE 58 -11.850 4.043 10.444 345 HZ PHE 58 HZ PHE 58 -13.502 2.416 9.652 346 H LYS 59 H LYS 59 -6.692 1.106 5.514 347 HA LYS 59 HA LYS 59 -8.605 -0.158 3.983 348 2HB LYS 59 2HB LYS 59 -6.629 1.283 3.263 349 2HG LYS 59 2HG LYS 59 -5.095 -0.709 4.410 350 2HD LYS 59 2HD LYS 59 -5.924 -1.980 2.139 351 2HE LYS 59 2HE LYS 59 -3.212 -1.256 1.196 352 1HZ LYS 59 1HZ LYS 59 -5.889 -1.603 -0.025 353 2HZ LYS 59 2HZ LYS 59 -4.604 -1.129 -0.905 354 H HIS 60 H HIS 60 -5.956 -1.484 5.976 355 HA HIS 60 HA HIS 60 -5.924 -4.040 4.922 356 2HB HIS 60 2HB HIS 60 -4.463 -2.768 6.742 357 HD1 HIS 60 HD1 HIS 60 -6.617 -5.585 8.237 358 HD2 HIS 60 HD2 HIS 60 -4.839 -1.939 9.307 359 HE1 HIS 60 HE1 HIS 60 -7.128 -5.240 10.713 360 H THR 61 H THR 61 -7.951 -2.585 7.538 361 HA THR 61 HA THR 61 -9.262 -4.880 8.340 362 HB THR 61 HB THR 61 -10.151 -1.957 8.153 363 HG1 THR 61 HG1 THR 61 -9.612 -2.547 10.600 364 1HG2 THR 61 1HG2 THR 61 -12.147 -3.385 8.541 365 2HG2 THR 61 2HG2 THR 61 -11.266 -4.294 9.792 366 3HG2 THR 61 3HG2 THR 61 -11.676 -2.583 10.059 367 H ALA 62 H ALA 62 -9.988 -2.691 5.573 368 HA ALA 62 HA ALA 62 -12.309 -4.215 4.872 369 1HB ALA 62 1HB ALA 62 -11.067 -1.695 4.190 370 2HB ALA 62 2HB ALA 62 -11.432 -2.602 2.703 371 3HB ALA 62 3HB ALA 62 -12.728 -2.248 3.871 372 H ARG 63 H ARG 63 -8.841 -4.117 4.034 373 HA ARG 63 HA ARG 63 -9.109 -5.660 1.721 374 2HB ARG 63 2HB ARG 63 -6.703 -5.296 3.579 375 2HG ARG 63 2HG ARG 63 -5.925 -5.573 0.856 376 2HD ARG 63 2HD ARG 63 -5.443 -8.041 2.171 377 HE ARG 63 HE ARG 63 -3.877 -5.593 1.625 378 1HH1 ARG 63 1HH1 ARG 63 -3.825 -8.947 2.766 379 2HH1 ARG 63 2HH1 ARG 63 -2.124 -9.141 2.504 380 2HH2 ARG 63 2HH2 ARG 63 -0.855 -7.305 1.629 381 H HIS 64 H HIS 64 -9.893 -6.470 4.828 382 HA HIS 64 HA HIS 64 -8.596 -9.009 5.000 383 2HB HIS 64 2HB HIS 64 -10.948 -8.625 6.692 384 HD1 HIS 64 HD1 HIS 64 -9.435 -8.092 9.305 385 HD2 HIS 64 HD2 HIS 64 -8.018 -10.636 6.286 386 HE1 HIS 64 HE1 HIS 64 -7.803 -9.696 10.431 387 H ASN 65 H ASN 65 -12.027 -7.896 4.526 388 HA ASN 65 HA ASN 65 -12.481 -10.487 3.269 389 2HB ASN 65 2HB ASN 65 -14.340 -10.624 4.588 390 1HD2 ASN 65 1HD2 ASN 65 -13.162 -10.491 6.501 391 2HD2 ASN 65 2HD2 ASN 65 -13.227 -9.114 7.549 392 H VAL 66 H VAL 66 -13.258 -6.941 3.257 393 HA VAL 66 HA VAL 66 -14.221 -7.170 0.515 394 HB VAL 66 HB VAL 66 -14.152 -4.577 1.957 395 1HG1 VAL 66 1HG1 VAL 66 -15.187 -5.145 -0.356 396 2HG1 VAL 66 2HG1 VAL 66 -16.511 -5.867 0.590 397 3HG1 VAL 66 3HG1 VAL 66 -16.121 -4.141 0.778 398 1HG2 VAL 66 1HG2 VAL 66 -16.453 -5.473 2.998 399 2HG2 VAL 66 2HG2 VAL 66 -15.541 -7.001 3.002 400 3HG2 VAL 66 3HG2 VAL 66 -14.902 -5.581 3.865 401 H ASP 67 H ASP 67 -13.475 -4.314 -0.020 402 HA ASP 67 HA ASP 67 -10.590 -4.557 -0.101 403 2HB ASP 67 2HB ASP 67 -10.637 -5.043 -2.317 404 HD2 ASP 67 HD2 ASP 67 -13.415 -6.344 -3.720 405 H GLU 68 H GLU 68 -9.565 -2.475 0.017 406 HA GLU 68 HA GLU 68 -11.336 -0.185 -0.204 407 2HB GLU 68 2HB GLU 68 -9.583 0.444 1.920 408 2HG GLU 68 2HG GLU 68 -11.940 -0.197 3.179 409 HE2 GLU 68 HE2 GLU 68 -10.508 2.010 0.876 410 H LEU 69 H LEU 69 -10.335 1.695 -1.032 411 HA LEU 69 HA LEU 69 -7.451 1.514 -1.479 412 2HB LEU 69 2HB LEU 69 -7.745 1.078 -3.617 413 HG LEU 69 HG LEU 69 -9.904 1.195 -4.848 414 1HD1 LEU 69 1HD1 LEU 69 -10.561 -0.403 -2.432 415 2HD1 LEU 69 2HD1 LEU 69 -10.525 -0.867 -4.150 416 3HD1 LEU 69 3HD1 LEU 69 -9.006 -0.746 -3.229 417 1HD2 LEU 69 1HD2 LEU 69 -11.717 2.228 -4.078 418 2HD2 LEU 69 2HD2 LEU 69 -11.609 1.408 -2.502 419 3HD2 LEU 69 3HD2 LEU 69 -10.683 2.900 -2.794 420 H HIS 70 H HIS 70 -6.398 3.386 -0.996 421 HA HIS 70 HA HIS 70 -7.914 5.851 -1.066 422 2HB HIS 70 2HB HIS 70 -6.837 6.342 1.278 423 HD1 HIS 70 HD1 HIS 70 -9.503 7.037 0.170 424 HD2 HIS 70 HD2 HIS 70 -9.002 3.846 2.847 425 HE1 HIS 70 HE1 HIS 70 -11.788 6.626 1.228 426 H ILE 71 H ILE 71 -6.626 7.655 -1.531 427 HA ILE 71 HA ILE 71 -3.741 7.181 -1.593 428 HB ILE 71 HB ILE 71 -4.231 6.698 -3.796 429 2HG1 ILE 71 2HG1 ILE 71 -2.493 8.415 -3.598 430 1HG2 ILE 71 1HG2 ILE 71 -6.555 8.417 -3.363 431 2HG2 ILE 71 2HG2 ILE 71 -5.794 8.659 -4.954 432 3HG2 ILE 71 3HG2 ILE 71 -6.332 7.034 -4.463 433 1HD1 ILE 71 1HD1 ILE 71 -4.188 7.980 -5.938 434 2HD1 ILE 71 2HD1 ILE 71 -3.464 9.606 -5.968 435 3HD1 ILE 71 3HD1 ILE 71 -2.421 8.168 -5.850 436 H ASP 72 H ASP 72 -2.586 8.862 -0.762 437 HA ASP 72 HA ASP 72 -3.866 11.450 -0.740 438 2HB ASP 72 2HB ASP 72 -2.952 11.641 1.723 439 HD2 ASP 72 HD2 ASP 72 -6.145 11.472 0.450 440 H GLY 73 H GLY 73 -2.286 13.155 -0.848 441 1HA GLY 73 1HA GLY 73 0.542 12.336 -0.643 442 2HA GLY 73 2HA GLY 73 -0.052 13.176 -2.061 443 H ASN 74 H ASN 74 1.741 13.753 0.558 444 HA ASN 74 HA ASN 74 0.821 16.489 0.678 445 2HB ASN 74 2HB ASN 74 1.755 15.498 3.311 446 1HD2 ASN 74 1HD2 ASN 74 1.695 17.542 4.009 447 2HD2 ASN 74 2HD2 ASN 74 0.281 18.540 4.088 448 H TYR 75 H TYR 75 2.616 17.931 0.809 449 HA TYR 75 HA TYR 75 5.156 16.914 0.215 450 2HB TYR 75 2HB TYR 75 5.737 19.331 0.464 451 HD1 TYR 75 HD1 TYR 75 3.035 21.161 0.337 452 HD2 TYR 75 HD2 TYR 75 4.561 17.766 -1.772 453 HE1 TYR 75 HE1 TYR 75 1.666 21.807 -1.706 454 HE2 TYR 75 HE2 TYR 75 3.188 18.423 -3.808 455 HH TYR 75 HH TYR 75 2.065 20.114 -4.749 456 H GLN 76 H GLN 76 3.464 17.040 3.199 457 HA GLN 76 HA GLN 76 6.007 17.007 4.627 458 2HB GLN 76 2HB GLN 76 4.680 17.640 6.651 459 2HG GLN 76 2HG GLN 76 3.975 19.557 4.399 460 1HE2 GLN 76 1HE2 GLN 76 2.740 20.938 5.440 461 2HE2 GLN 76 2HE2 GLN 76 3.067 21.673 6.974 462 H LEU 77 H LEU 77 3.638 15.035 3.323 463 HA LEU 77 HA LEU 77 2.977 13.278 5.348 464 2HB LEU 77 2HB LEU 77 3.491 12.444 2.506 465 HG LEU 77 HG LEU 77 2.007 11.309 4.712 466 1HD1 LEU 77 1HD1 LEU 77 0.274 11.448 2.280 467 2HD1 LEU 77 2HD1 LEU 77 -0.157 11.169 3.984 468 3HD1 LEU 77 3HD1 LEU 77 0.254 12.809 3.427 469 1HD2 LEU 77 1HD2 LEU 77 1.779 9.416 3.080 470 2HD2 LEU 77 2HD2 LEU 77 2.590 10.441 1.871 471 3HD2 LEU 77 3HD2 LEU 77 3.447 9.972 3.360 472 H GLY 78 H GLY 78 6.015 13.789 3.620 473 1HA GLY 78 1HA GLY 78 7.899 12.955 5.065 474 2HA GLY 78 2HA GLY 78 7.132 11.384 4.929 475 H ARG 79 H ARG 79 6.400 12.875 2.039 476 HA ARG 79 HA ARG 79 7.144 12.771 0.013 477 2HB ARG 79 2HB ARG 79 9.876 12.442 -0.105 478 2HG ARG 79 2HG ARG 79 8.043 14.783 0.215 479 2HD ARG 79 2HD ARG 79 10.506 14.918 1.546 480 HE ARG 79 HE ARG 79 11.062 15.354 -1.225 481 1HH1 ARG 79 1HH1 ARG 79 11.617 16.910 1.910 482 2HH1 ARG 79 2HH1 ARG 79 13.069 17.705 1.398 483 2HH2 ARG 79 2HH2 ARG 79 13.850 17.391 -0.846 484 H ASN 80 H ASN 80 6.084 10.438 0.847 485 HA ASN 80 HA ASN 80 8.016 8.423 0.007 486 2HB ASN 80 2HB ASN 80 7.293 7.930 2.270 487 1HD2 ASN 80 1HD2 ASN 80 5.260 6.926 3.439 488 2HD2 ASN 80 2HD2 ASN 80 3.865 7.952 3.487 489 H VAL 81 H VAL 81 7.544 7.572 -2.026 490 HA VAL 81 HA VAL 81 4.749 7.758 -2.918 491 HB VAL 81 HB VAL 81 5.711 7.835 -5.205 492 1HG1 VAL 81 1HG1 VAL 81 5.293 9.871 -3.454 493 2HG1 VAL 81 2HG1 VAL 81 6.995 10.160 -3.888 494 3HG1 VAL 81 3HG1 VAL 81 5.752 10.099 -5.159 495 1HG2 VAL 81 1HG2 VAL 81 7.880 7.519 -5.631 496 2HG2 VAL 81 2HG2 VAL 81 8.356 8.756 -4.443 497 3HG2 VAL 81 3HG2 VAL 81 8.087 7.076 -3.920 498 H LEU 82 H LEU 82 3.796 5.794 -2.740 499 HA LEU 82 HA LEU 82 5.402 3.492 -3.600 500 2HB LEU 82 2HB LEU 82 3.717 2.340 -1.872 501 HG LEU 82 HG LEU 82 6.430 3.519 -1.393 502 1HD1 LEU 82 1HD1 LEU 82 5.734 1.919 0.862 503 2HD1 LEU 82 2HD1 LEU 82 6.243 3.624 0.813 504 3HD1 LEU 82 3HD1 LEU 82 4.517 3.207 0.692 505 1HD2 LEU 82 1HD2 LEU 82 6.642 1.516 -2.501 506 2HD2 LEU 82 2HD2 LEU 82 6.754 0.985 -0.805 507 3HD2 LEU 82 3HD2 LEU 82 5.228 0.791 -1.700 508 H LEU 83 H LEU 83 4.577 2.553 -5.383 509 HA LEU 83 HA LEU 83 1.698 2.926 -5.844 510 2HB LEU 83 2HB LEU 83 4.067 3.201 -7.597 511 HG LEU 83 HG LEU 83 2.505 2.991 -9.608 512 1HD1 LEU 83 1HD1 LEU 83 3.594 1.107 -10.145 513 2HD1 LEU 83 2HD1 LEU 83 4.380 1.301 -8.560 514 3HD1 LEU 83 3HD1 LEU 83 2.975 0.221 -8.731 515 1HD2 LEU 83 1HD2 LEU 83 0.552 1.802 -9.528 516 2HD2 LEU 83 2HD2 LEU 83 1.036 0.877 -8.086 517 3HD2 LEU 83 3HD2 LEU 83 0.517 2.572 -7.923 518 H LYS 84 H LYS 84 0.581 1.097 -5.453 519 HA LYS 84 HA LYS 84 1.893 -1.422 -6.198 520 2HB LYS 84 2HB LYS 84 -0.022 -1.156 -3.878 521 2HG LYS 84 2HG LYS 84 0.776 -3.394 -5.116 522 2HD LYS 84 2HD LYS 84 3.254 -2.364 -4.248 523 2HE LYS 84 2HE LYS 84 2.090 -3.663 -2.024 524 1HZ LYS 84 1HZ LYS 84 4.298 -5.386 -2.867 525 2HZ LYS 84 2HZ LYS 84 3.040 -5.737 -1.896 526 H ASN 85 H ASN 85 0.860 -2.431 -7.828 527 HA ASN 85 HA ASN 85 -1.960 -1.769 -8.141 528 2HB ASN 85 2HB ASN 85 -0.493 -1.046 -10.042 529 1HD2 ASN 85 1HD2 ASN 85 1.667 -1.765 -9.476 530 2HD2 ASN 85 2HD2 ASN 85 2.377 -3.113 -10.300 531 H GLY 86 H GLY 86 -3.285 -3.506 -7.593 532 1HA GLY 86 1HA GLY 86 -2.160 -6.227 -7.889 533 2HA GLY 86 2HA GLY 86 -3.284 -5.736 -6.637 534 H GLU 87 H GLU 87 -2.980 -7.158 -9.723 535 HA GLU 87 HA GLU 87 -5.838 -6.758 -10.153 536 2HB GLU 87 2HB GLU 87 -5.194 -7.196 -12.656 537 2HG GLU 87 2HG GLU 87 -4.085 -4.562 -11.715 538 HE2 GLU 87 HE2 GLU 87 -4.851 -3.767 -14.924 539 H ASP 88 H ASP 88 -6.979 -8.631 -9.940 540 HA ASP 88 HA ASP 88 -5.530 -11.084 -10.558 541 2HB ASP 88 2HB ASP 88 -7.258 -10.332 -8.209 542 HD2 ASP 88 HD2 ASP 88 -6.338 -13.126 -9.924 543 H ARG 89 H ARG 89 -6.511 -11.988 -12.375 544 HA ARG 89 HA ARG 89 -9.348 -12.239 -12.373 545 2HB ARG 89 2HB ARG 89 -9.648 -10.327 -13.619 546 2HG ARG 89 2HG ARG 89 -6.812 -10.276 -13.490 547 2HD ARG 89 2HD ARG 89 -7.516 -9.347 -16.254 548 HE ARG 89 HE ARG 89 -5.086 -10.229 -14.809 549 1HH1 ARG 89 1HH1 ARG 89 -6.500 -9.163 -17.878 550 2HH1 ARG 89 2HH1 ARG 89 -4.974 -8.728 -18.572 551 2HH2 ARG 89 2HH2 ARG 89 -2.973 -9.025 -17.288 552 H LEU 90 H LEU 90 -10.079 -13.806 -14.063 553 HA LEU 90 HA LEU 90 -7.836 -15.291 -15.240 554 2HB LEU 90 2HB LEU 90 -8.963 -17.368 -14.719 555 HG LEU 90 HG LEU 90 -8.708 -15.639 -12.244 556 1HD1 LEU 90 1HD1 LEU 90 -9.120 -18.613 -12.565 557 2HD1 LEU 90 2HD1 LEU 90 -8.397 -17.897 -11.105 558 3HD1 LEU 90 3HD1 LEU 90 -10.053 -17.455 -11.586 559 1HD2 LEU 90 1HD2 LEU 90 -6.550 -15.663 -12.880 560 2HD2 LEU 90 2HD2 LEU 90 -6.574 -17.310 -12.205 561 3HD2 LEU 90 3HD2 LEU 90 -6.767 -17.064 -13.958 562 H ARG 91 H ARG 91 -8.781 -16.885 -17.000 563 HA ARG 91 HA ARG 91 -9.758 -15.345 -18.996 564 2HB ARG 91 2HB ARG 91 -10.393 -18.318 -18.818 565 2HG ARG 91 2HG ARG 91 -9.626 -16.363 -21.018 566 2HD ARG 91 2HD ARG 91 -8.698 -19.061 -20.797 567 HE ARG 91 HE ARG 91 -10.512 -19.020 -23.131 568 1HH1 ARG 91 1HH1 ARG 91 -9.925 -20.242 -19.858 569 2HH1 ARG 91 2HH1 ARG 91 -11.034 -21.562 -20.018 570 2HH2 ARG 91 2HH2 ARG 91 -12.230 -21.848 -22.076 571 H PHE 92 H PHE 92 -11.493 -17.148 -16.455 572 HA PHE 92 HA PHE 92 -13.997 -17.325 -17.551 573 2HB PHE 92 2HB PHE 92 -14.538 -16.846 -14.932 574 HD1 PHE 92 HD1 PHE 92 -14.381 -18.786 -13.296 575 HD2 PHE 92 HD2 PHE 92 -12.979 -19.038 -17.293 576 HE1 PHE 92 HE1 PHE 92 -14.455 -21.292 -13.164 577 HE2 PHE 92 HE2 PHE 92 -13.052 -21.543 -17.161 578 HZ PHE 92 HZ PHE 92 -13.790 -22.640 -15.099 579 H TYR 93 H TYR 93 -12.281 -14.488 -16.245 580 HA TYR 93 HA TYR 93 -14.691 -12.894 -16.218 581 2HB TYR 93 2HB TYR 93 -12.547 -11.194 -15.900 582 HD1 TYR 93 HD1 TYR 93 -14.625 -13.749 -14.402 583 HD2 TYR 93 HD2 TYR 93 -11.866 -10.595 -13.534 584 HE1 TYR 93 HE1 TYR 93 -15.450 -13.679 -11.999 585 HE2 TYR 93 HE2 TYR 93 -12.701 -10.536 -11.133 586 HH TYR 93 HH TYR 93 -14.084 -11.342 -9.691 587 H VAL 94 H VAL 94 -15.117 -11.093 -17.589 588 HA VAL 94 HA VAL 94 -13.601 -11.196 -20.104 589 HB VAL 94 HB VAL 94 -16.497 -10.551 -19.532 590 1HG1 VAL 94 1HG1 VAL 94 -15.020 -10.412 -22.183 591 2HG1 VAL 94 2HG1 VAL 94 -16.766 -10.173 -21.935 592 3HG1 VAL 94 3HG1 VAL 94 -15.602 -9.019 -21.241 593 1HG2 VAL 94 1HG2 VAL 94 -15.128 -12.803 -21.034 594 2HG2 VAL 94 2HG2 VAL 94 -16.123 -12.919 -19.563 595 3HG2 VAL 94 3HG2 VAL 94 -16.876 -12.473 -21.113 596 H LYS 95 H LYS 95 -14.252 -9.414 -17.260 597 HA LYS 95 HA LYS 95 -13.968 -6.835 -18.546 598 2HB LYS 95 2HB LYS 95 -14.722 -7.839 -15.847 599 2HG LYS 95 2HG LYS 95 -13.057 -5.396 -16.362 600 2HD LYS 95 2HD LYS 95 -15.353 -4.480 -15.862 601 2HE LYS 95 2HE LYS 95 -15.432 -6.661 -14.031 602 1HZ LYS 95 1HZ LYS 95 -14.934 -4.095 -12.733 603 2HZ LYS 95 2HZ LYS 95 -16.145 -4.986 -12.105 604 H PHE 96 H PHE 96 -12.083 -9.237 -16.700 605 HA PHE 96 HA PHE 96 -9.979 -9.202 -15.960 606 2HB PHE 96 2HB PHE 96 -9.720 -9.745 -18.353 607 HD1 PHE 96 HD1 PHE 96 -8.197 -6.499 -18.869 608 HD2 PHE 96 HD2 PHE 96 -11.627 -8.865 -19.675 609 HE1 PHE 96 HE1 PHE 96 -8.849 -4.926 -20.713 610 HE2 PHE 96 HE2 PHE 96 -12.279 -7.291 -21.518 611 HZ PHE 96 HZ PHE 96 -10.882 -5.340 -22.015 612 H GLY 97 H GLY 97 -11.062 -7.115 -14.671 613 1HA GLY 97 1HA GLY 97 -8.896 -5.370 -14.240 614 2HA GLY 97 2HA GLY 97 -10.087 -4.556 -15.234 615 HA PRO 98 HA PRO 98 -12.251 -5.594 -11.147 616 2HB PRO 98 2HB PRO 98 -11.927 -7.711 -10.300 617 2HG PRO 98 2HG PRO 98 -10.012 -8.763 -11.041 618 2HD PRO 98 2HD PRO 98 -9.675 -7.647 -13.023 619 H GLY 99 H GLY 99 -8.860 -4.840 -10.814 620 1HA GLY 99 1HA GLY 99 -9.599 -2.321 -9.571 621 2HA GLY 99 2HA GLY 99 -8.693 -3.423 -8.553 622 H ALA 100 H ALA 100 -8.588 -1.243 -11.312 623 HA ALA 100 HA ALA 100 -5.769 -1.918 -11.749 624 1HB ALA 100 1HB ALA 100 -6.632 -0.041 -13.662 625 2HB ALA 100 2HB ALA 100 -6.406 -1.790 -13.903 626 3HB ALA 100 3HB ALA 100 -8.005 -1.153 -13.452 627 H VAL 101 H VAL 101 -4.328 0.052 -12.196 628 HA VAL 101 HA VAL 101 -4.325 1.684 -9.951 629 HB VAL 101 HB VAL 101 -2.481 0.998 -11.647 630 1HG1 VAL 101 1HG1 VAL 101 -3.705 3.416 -12.968 631 2HG1 VAL 101 2HG1 VAL 101 -1.970 3.056 -13.146 632 3HG1 VAL 101 3HG1 VAL 101 -3.186 1.876 -13.692 633 1HG2 VAL 101 1HG2 VAL 101 -2.741 3.562 -10.107 634 2HG2 VAL 101 2HG2 VAL 101 -1.712 2.144 -9.796 635 3HG2 VAL 101 3HG2 VAL 101 -1.290 3.281 -11.098 636 H ILE 102 H ILE 102 -5.776 2.072 -13.192 637 HA ILE 102 HA ILE 102 -6.279 4.816 -13.011 638 HB ILE 102 HB ILE 102 -6.319 3.550 -15.085 639 2HG1 ILE 102 2HG1 ILE 102 -7.820 5.681 -14.497 640 1HG2 ILE 102 1HG2 ILE 102 -7.899 1.731 -13.666 641 2HG2 ILE 102 2HG2 ILE 102 -8.983 2.433 -14.890 642 3HG2 ILE 102 3HG2 ILE 102 -7.456 1.667 -15.389 643 1HD1 ILE 102 1HD1 ILE 102 -8.734 4.761 -17.079 644 2HD1 ILE 102 2HD1 ILE 102 -7.490 5.980 -16.714 645 3HD1 ILE 102 3HD1 ILE 102 -7.039 4.265 -16.861 646 H LYS 103 H LYS 103 -7.958 1.935 -11.734 647 HA LYS 103 HA LYS 103 -10.359 3.229 -11.089 648 2HB LYS 103 2HB LYS 103 -9.925 1.137 -9.245 649 2HG LYS 103 2HG LYS 103 -11.708 1.874 -11.332 650 2HD LYS 103 2HD LYS 103 -12.069 -0.500 -12.292 651 2HE LYS 103 2HE LYS 103 -9.920 -0.150 -13.871 652 1HZ LYS 103 1HZ LYS 103 -12.395 1.415 -13.650 653 2HZ LYS 103 2HZ LYS 103 -11.290 1.890 -14.747 654 H GLU 104 H GLU 104 -7.182 2.978 -9.475 655 HA GLU 104 HA GLU 104 -7.965 3.791 -6.972 656 2HB GLU 104 2HB GLU 104 -5.352 4.301 -8.460 657 2HG GLU 104 2HG GLU 104 -6.080 5.535 -6.118 658 HE2 GLU 104 HE2 GLU 104 -6.372 2.775 -3.899 659 H PHE 105 H PHE 105 -7.312 5.656 -9.957 660 HA PHE 105 HA PHE 105 -7.183 8.180 -8.771 661 2HB PHE 105 2HB PHE 105 -7.303 6.876 -11.380 662 HD1 PHE 105 HD1 PHE 105 -9.885 6.729 -11.657 663 HD2 PHE 105 HD2 PHE 105 -7.699 10.361 -11.840 664 HE1 PHE 105 HE1 PHE 105 -11.773 7.801 -12.914 665 HE2 PHE 105 HE2 PHE 105 -9.588 11.434 -13.098 666 HZ PHE 105 HZ PHE 105 -11.603 10.141 -13.620 667 H LYS 106 H LYS 106 -9.919 6.114 -9.801 668 HA LYS 106 HA LYS 106 -11.891 8.077 -9.804 669 2HB LYS 106 2HB LYS 106 -13.312 5.914 -9.162 670 2HG LYS 106 2HG LYS 106 -11.814 5.963 -11.808 671 2HD LYS 106 2HD LYS 106 -14.074 5.374 -12.687 672 2HE LYS 106 2HE LYS 106 -13.046 3.624 -10.404 673 1HZ LYS 106 1HZ LYS 106 -15.461 3.328 -11.497 674 2HZ LYS 106 2HZ LYS 106 -14.593 2.491 -12.592 675 H ILE 107 H ILE 107 -10.644 5.949 -7.157 676 HA ILE 107 HA ILE 107 -12.328 6.460 -5.159 677 HB ILE 107 HB ILE 107 -10.626 5.946 -3.680 678 2HG1 ILE 107 2HG1 ILE 107 -9.037 7.773 -5.309 679 1HG2 ILE 107 1HG2 ILE 107 -11.000 4.322 -5.645 680 2HG2 ILE 107 2HG2 ILE 107 -9.400 4.860 -6.209 681 3HG2 ILE 107 3HG2 ILE 107 -9.568 4.089 -4.614 682 1HD1 ILE 107 1HD1 ILE 107 -7.954 6.936 -2.721 683 2HD1 ILE 107 2HD1 ILE 107 -8.549 8.534 -3.231 684 3HD1 ILE 107 3HD1 ILE 107 -9.688 7.319 -2.605 685 H THR 108 H THR 108 -10.125 8.795 -6.693 686 HA THR 108 HA THR 108 -11.578 10.940 -5.430 687 HB THR 108 HB THR 108 -9.260 11.910 -4.648 688 HG1 THR 108 HG1 THR 108 -7.799 10.061 -4.200 689 1HG2 THR 108 1HG2 THR 108 -11.046 11.004 -3.055 690 2HG2 THR 108 2HG2 THR 108 -10.270 9.409 -3.201 691 3HG2 THR 108 3HG2 THR 108 -9.377 10.772 -2.485 692 H ASP 109 H ASP 109 -8.320 10.593 -6.980 693 HA ASP 109 HA ASP 109 -8.581 12.802 -8.534 694 2HB ASP 109 2HB ASP 109 -7.150 10.755 -10.011 695 HD2 ASP 109 HD2 ASP 109 -7.333 13.352 -10.178 Start of MODEL 15 1 1H MET 1 1H MET 1 5.200 14.497 -6.992 2 HA MET 1 HA MET 1 7.998 14.896 -6.295 3 2HB MET 1 2HB MET 1 7.288 16.781 -5.109 4 2HG MET 1 2HG MET 1 5.990 16.576 -7.496 5 1HE MET 1 1HE MET 1 2.330 17.101 -8.014 6 2HE MET 1 2HE MET 1 3.994 17.512 -8.495 7 3HE MET 1 3HE MET 1 3.445 15.820 -8.547 8 H SER 2 H SER 2 4.932 14.286 -4.431 9 HA SER 2 HA SER 2 6.195 11.952 -3.299 10 2HB SER 2 2HB SER 2 6.827 13.216 -1.490 11 HG SER 2 HG SER 2 5.060 15.071 -2.604 12 H GLU 3 H GLU 3 4.693 10.366 -3.679 13 HA GLU 3 HA GLU 3 1.967 10.955 -2.922 14 2HB GLU 3 2HB GLU 3 2.024 11.405 -5.342 15 2HG GLU 3 2HG GLU 3 3.762 9.075 -5.348 16 HE2 GLU 3 HE2 GLU 3 3.633 7.372 -6.348 17 H VAL 4 H VAL 4 0.896 9.170 -2.018 18 HA VAL 4 HA VAL 4 2.486 6.697 -1.963 19 HB VAL 4 HB VAL 4 2.259 8.118 0.153 20 1HG1 VAL 4 1HG1 VAL 4 0.229 7.949 1.431 21 2HG1 VAL 4 2HG1 VAL 4 -0.187 8.581 -0.180 22 3HG1 VAL 4 3HG1 VAL 4 -0.510 6.877 0.216 23 1HG2 VAL 4 1HG2 VAL 4 1.956 5.213 -0.230 24 2HG2 VAL 4 2HG2 VAL 4 3.083 6.126 0.801 25 3HG2 VAL 4 3HG2 VAL 4 1.428 5.797 1.366 26 H ASN 5 H ASN 5 1.503 4.836 -2.646 27 HA ASN 5 HA ASN 5 -1.381 4.867 -2.822 28 2HB ASN 5 2HB ASN 5 -1.492 4.675 -5.120 29 1HD2 ASN 5 1HD2 ASN 5 -0.965 6.991 -4.436 30 2HD2 ASN 5 2HD2 ASN 5 0.383 7.749 -5.215 31 H ILE 6 H ILE 6 -2.205 2.798 -2.293 32 HA ILE 6 HA ILE 6 -0.432 0.512 -2.550 33 HB ILE 6 HB ILE 6 -0.078 1.564 -0.294 34 2HG1 ILE 6 2HG1 ILE 6 0.695 -0.595 -0.370 35 1HG2 ILE 6 1HG2 ILE 6 -1.742 1.367 1.408 36 2HG2 ILE 6 2HG2 ILE 6 -2.474 2.222 0.029 37 3HG2 ILE 6 3HG2 ILE 6 -2.847 0.505 0.312 38 1HD1 ILE 6 1HD1 ILE 6 -1.712 -0.834 1.495 39 2HD1 ILE 6 2HD1 ILE 6 -0.276 -1.885 1.509 40 3HD1 ILE 6 3HD1 ILE 6 -0.124 -0.164 1.940 41 H VAL 7 H VAL 7 -1.534 -1.384 -3.018 42 HA VAL 7 HA VAL 7 -4.428 -1.348 -2.703 43 HB VAL 7 HB VAL 7 -4.251 -0.474 -4.877 44 1HG1 VAL 7 1HG1 VAL 7 -2.856 -1.699 -6.649 45 2HG1 VAL 7 2HG1 VAL 7 -1.978 -0.720 -5.450 46 3HG1 VAL 7 3HG1 VAL 7 -2.035 -2.492 -5.283 47 1HG2 VAL 7 1HG2 VAL 7 -5.760 -2.496 -4.536 48 2HG2 VAL 7 2HG2 VAL 7 -5.326 -2.111 -6.218 49 3HG2 VAL 7 3HG2 VAL 7 -4.512 -3.450 -5.373 50 H VAL 8 H VAL 8 -5.041 -3.227 -1.769 51 HA VAL 8 HA VAL 8 -3.342 -5.568 -2.281 52 HB VAL 8 HB VAL 8 -4.553 -4.627 0.323 53 1HG1 VAL 8 1HG1 VAL 8 -4.722 -7.141 -0.151 54 2HG1 VAL 8 2HG1 VAL 8 -2.945 -7.161 -0.054 55 3HG1 VAL 8 3HG1 VAL 8 -3.907 -6.650 1.354 56 1HG2 VAL 8 1HG2 VAL 8 -1.761 -4.784 -0.779 57 2HG2 VAL 8 2HG2 VAL 8 -2.552 -3.481 0.141 58 3HG2 VAL 8 3HG2 VAL 8 -2.030 -4.966 0.971 59 H ASN 9 H ASN 9 -4.435 -7.275 -3.117 60 HA ASN 9 HA ASN 9 -7.337 -7.141 -2.870 61 2HB ASN 9 2HB ASN 9 -7.497 -8.219 -5.031 62 1HD2 ASN 9 1HD2 ASN 9 -4.205 -7.292 -5.530 63 2HD2 ASN 9 2HD2 ASN 9 -4.474 -5.737 -6.244 64 H GLY 10 H GLY 10 -8.123 -8.738 -1.491 65 1HA GLY 10 1HA GLY 10 -8.441 -10.812 -0.632 66 2HA GLY 10 2HA GLY 10 -7.216 -11.452 -1.709 67 H ARG 11 H ARG 11 -6.942 -8.767 0.708 68 HA ARG 11 HA ARG 11 -5.262 -8.408 2.098 69 2HB ARG 11 2HB ARG 11 -6.512 -9.144 3.876 70 2HG ARG 11 2HG ARG 11 -6.961 -11.682 2.244 71 2HD ARG 11 2HD ARG 11 -8.308 -10.933 4.878 72 HE ARG 11 HE ARG 11 -8.316 -13.675 3.817 73 1HH1 ARG 11 1HH1 ARG 11 -10.034 -10.577 3.912 74 2HH1 ARG 11 2HH1 ARG 11 -11.561 -11.270 3.478 75 2HH2 ARG 11 2HH2 ARG 11 -11.712 -13.630 3.089 76 H GLU 12 H GLU 12 -3.958 -9.372 -0.085 77 HA GLU 12 HA GLU 12 -2.124 -11.328 1.066 78 2HB GLU 12 2HB GLU 12 -3.620 -12.084 -0.926 79 2HG GLU 12 2HG GLU 12 -1.487 -10.563 -2.486 80 HE2 GLU 12 HE2 GLU 12 -1.285 -12.329 -3.649 81 H ALA 13 H ALA 13 0.087 -10.852 0.939 82 HA ALA 13 HA ALA 13 0.691 -8.211 -0.194 83 1HB ALA 13 1HB ALA 13 1.010 -8.397 2.232 84 2HB ALA 13 2HB ALA 13 2.053 -9.821 2.004 85 3HB ALA 13 3HB ALA 13 2.582 -8.225 1.416 86 H GLY 14 H GLY 14 2.416 -7.972 -1.645 87 1HA GLY 14 1HA GLY 14 3.704 -10.494 -2.500 88 2HA GLY 14 2HA GLY 14 3.064 -9.325 -3.638 89 H SER 15 H SER 15 4.566 -8.277 -0.584 90 HA SER 15 HA SER 15 7.031 -7.726 -1.987 91 2HB SER 15 2HB SER 15 5.408 -5.723 -2.157 92 HG SER 15 HG SER 15 5.962 -4.444 0.035 93 H LYS 16 H LYS 16 8.553 -6.485 -0.177 94 HA LYS 16 HA LYS 16 8.885 -8.390 1.856 95 2HB LYS 16 2HB LYS 16 10.655 -6.855 2.651 96 2HG LYS 16 2HG LYS 16 10.968 -6.692 -0.313 97 2HD LYS 16 2HD LYS 16 12.657 -8.538 1.256 98 2HE LYS 16 2HE LYS 16 14.080 -6.242 0.319 99 1HZ LYS 16 1HZ LYS 16 14.605 -8.724 0.197 100 2HZ LYS 16 2HZ LYS 16 13.713 -8.776 -1.165 101 H SER 17 H SER 17 6.689 -5.777 1.512 102 HA SER 17 HA SER 17 6.531 -4.647 3.937 103 2HB SER 17 2HB SER 17 5.081 -4.179 1.920 104 HG SER 17 HG SER 17 3.638 -5.618 1.283 105 H LYS 18 H LYS 18 5.918 -7.998 3.083 106 HA LYS 18 HA LYS 18 4.131 -8.792 4.998 107 2HB LYS 18 2HB LYS 18 5.916 -10.901 4.827 108 2HG LYS 18 2HG LYS 18 3.411 -10.001 3.524 109 2HD LYS 18 2HD LYS 18 5.364 -10.963 1.756 110 2HE LYS 18 2HE LYS 18 4.629 -13.224 3.136 111 1HZ LYS 18 1HZ LYS 18 2.362 -12.633 1.739 112 2HZ LYS 18 2HZ LYS 18 3.090 -13.717 0.765 113 H GLY 19 H GLY 19 7.738 -8.517 5.281 114 1HA GLY 19 1HA GLY 19 7.783 -9.255 8.025 115 2HA GLY 19 2HA GLY 19 9.072 -8.514 7.098 116 H CYS 20 H CYS 20 9.643 -6.440 7.608 117 HA CYS 20 HA CYS 20 7.596 -4.823 8.940 118 2HB CYS 20 2HB CYS 20 9.138 -4.005 10.531 119 HG CYS 20 HG CYS 20 8.124 -6.213 11.295 120 H ALA 21 H ALA 21 8.421 -2.365 8.865 121 HA ALA 21 HA ALA 21 8.758 -1.758 6.114 122 1HB ALA 21 1HB ALA 21 7.609 -0.517 8.235 123 2HB ALA 21 2HB ALA 21 9.167 0.342 8.188 124 3HB ALA 21 3HB ALA 21 8.110 0.338 6.756 125 H LEU 22 H LEU 22 10.920 -2.683 8.589 126 HA LEU 22 HA LEU 22 13.109 -1.122 7.452 127 2HB LEU 22 2HB LEU 22 13.030 -2.889 9.901 128 HG LEU 22 HG LEU 22 15.331 -2.444 8.986 129 1HD1 LEU 22 1HD1 LEU 22 14.372 0.377 9.254 130 2HD1 LEU 22 2HD1 LEU 22 16.083 0.010 9.578 131 3HD1 LEU 22 3HD1 LEU 22 15.374 -0.380 7.992 132 1HD2 LEU 22 1HD2 LEU 22 14.326 -1.828 11.683 133 2HD2 LEU 22 2HD2 LEU 22 15.638 -2.909 11.157 134 3HD2 LEU 22 3HD2 LEU 22 15.936 -1.162 11.320 135 H CYS 23 H CYS 23 12.405 -4.557 8.427 136 HA CYS 23 HA CYS 23 14.106 -5.338 6.170 137 2HB CYS 23 2HB CYS 23 15.323 -6.104 7.988 138 HG CYS 23 HG CYS 23 13.904 -5.235 9.916 139 H GLY 24 H GLY 24 13.443 -7.836 5.618 140 1HA GLY 24 1HA GLY 24 10.533 -8.167 5.808 141 2HA GLY 24 2HA GLY 24 11.254 -8.033 4.216 142 H ALA 25 H ALA 25 12.091 -9.730 7.331 143 HA ALA 25 HA ALA 25 12.669 -12.107 5.707 144 1HB ALA 25 1HB ALA 25 14.139 -10.735 7.708 145 2HB ALA 25 2HB ALA 25 13.584 -12.255 8.450 146 3HB ALA 25 3HB ALA 25 14.535 -12.294 6.945 147 H THR 26 H THR 26 10.328 -10.654 7.697 148 HA THR 26 HA THR 26 9.376 -13.278 8.630 149 HB THR 26 HB THR 26 8.401 -10.586 9.643 150 HG1 THR 26 HG1 THR 26 10.933 -11.161 9.478 151 1HG2 THR 26 1HG2 THR 26 9.116 -13.053 11.262 152 2HG2 THR 26 2HG2 THR 26 7.934 -11.778 11.638 153 3HG2 THR 26 3HG2 THR 26 7.562 -12.996 10.395 154 H TRP 27 H TRP 27 7.001 -13.617 8.603 155 HA TRP 27 HA TRP 27 5.808 -12.216 6.308 156 2HB TRP 27 2HB TRP 27 6.423 -14.366 5.519 157 HD1 TRP 27 HD1 TRP 27 7.852 -15.770 7.500 158 HE1 TRP 27 HE1 TRP 27 7.251 -17.908 8.924 159 HE3 TRP 27 HE3 TRP 27 2.827 -15.475 6.786 160 HZ2 TRP 27 HZ2 TRP 27 4.796 -19.206 9.580 161 HZ3 TRP 27 HZ3 TRP 27 1.399 -17.218 7.853 162 HH2 TRP 27 HH2 TRP 27 2.307 -19.038 9.210 163 H GLY 28 H GLY 28 3.421 -12.055 6.445 164 1HA GLY 28 1HA GLY 28 2.220 -12.694 9.023 165 2HA GLY 28 2HA GLY 28 2.367 -10.991 8.632 166 H ASP 29 H ASP 29 1.343 -14.094 7.024 167 HA ASP 29 HA ASP 29 -0.218 -12.909 5.116 168 2HB ASP 29 2HB ASP 29 -0.402 -15.601 6.531 169 HD2 ASP 29 HD2 ASP 29 -2.013 -16.741 6.204 170 H TYR 30 H TYR 30 -1.117 -14.326 8.354 171 HA TYR 30 HA TYR 30 -3.825 -13.461 8.164 172 2HB TYR 30 2HB TYR 30 -2.452 -14.005 10.797 173 HD1 TYR 30 HD1 TYR 30 -4.960 -13.127 11.109 174 HD2 TYR 30 HD2 TYR 30 -3.879 -16.960 9.543 175 HE1 TYR 30 HE1 TYR 30 -7.252 -14.037 11.732 176 HE2 TYR 30 HE2 TYR 30 -6.174 -17.856 10.172 177 HH TYR 30 HH TYR 30 -8.622 -16.456 10.509 178 H HIS 31 H HIS 31 -1.020 -11.688 8.498 179 HA HIS 31 HA HIS 31 -2.053 -9.927 10.551 180 2HB HIS 31 2HB HIS 31 0.109 -8.732 10.212 181 HD1 HIS 31 HD1 HIS 31 2.562 -10.018 10.974 182 HD2 HIS 31 HD2 HIS 31 -1.091 -11.980 11.612 183 HE1 HIS 31 HE1 HIS 31 3.002 -11.783 12.764 184 H ALA 32 H ALA 32 -1.963 -7.480 10.046 185 HA ALA 32 HA ALA 32 -3.370 -7.113 7.518 186 1HB ALA 32 1HB ALA 32 -4.445 -5.342 8.549 187 2HB ALA 32 2HB ALA 32 -4.100 -6.364 9.964 188 3HB ALA 32 3HB ALA 32 -3.057 -4.969 9.599 189 H ASP 33 H ASP 33 -2.788 -5.380 6.053 190 HA ASP 33 HA ASP 33 0.063 -4.981 6.073 191 2HB ASP 33 2HB ASP 33 -1.938 -4.054 3.970 192 HD2 ASP 33 HD2 ASP 33 1.611 -5.165 2.668 193 H PHE 34 H PHE 34 0.958 -2.747 5.701 194 HA PHE 34 HA PHE 34 -0.857 -0.699 6.763 195 2HB PHE 34 2HB PHE 34 2.175 -1.181 6.893 196 HD1 PHE 34 HD1 PHE 34 3.572 0.637 6.975 197 HD2 PHE 34 HD2 PHE 34 -0.420 1.095 8.340 198 HE1 PHE 34 HE1 PHE 34 4.027 3.049 7.497 199 HE2 PHE 34 HE2 PHE 34 0.035 3.507 8.862 200 HZ PHE 34 HZ PHE 34 2.253 4.456 8.435 201 H LEU 35 H LEU 35 -0.940 1.343 5.754 202 HA LEU 35 HA LEU 35 -0.633 1.435 3.039 203 2HB LEU 35 2HB LEU 35 -0.273 4.042 4.234 204 HG LEU 35 HG LEU 35 -2.496 2.660 2.745 205 1HD1 LEU 35 1HD1 LEU 35 -2.660 5.200 4.344 206 2HD1 LEU 35 2HD1 LEU 35 -3.611 5.007 2.851 207 3HD1 LEU 35 3HD1 LEU 35 -3.831 3.867 4.200 208 1HD2 LEU 35 1HD2 LEU 35 -2.050 4.229 1.025 209 2HD2 LEU 35 2HD2 LEU 35 -1.035 5.227 2.095 210 3HD2 LEU 35 3HD2 LEU 35 -0.470 3.620 1.577 211 H GLY 36 H GLY 36 1.736 2.166 5.624 212 1HA GLY 36 1HA GLY 36 3.682 3.438 4.091 213 2HA GLY 36 2HA GLY 36 3.955 2.506 5.550 214 H GLU 37 H GLU 37 2.485 0.178 3.906 215 HA GLU 37 HA GLU 37 3.016 -1.365 2.423 216 2HB GLU 37 2HB GLU 37 5.726 -0.096 1.893 217 2HG GLU 37 2HG GLU 37 3.947 -1.390 -0.166 218 HE2 GLU 37 HE2 GLU 37 4.973 -0.901 -1.744 219 H ASP 38 H ASP 38 3.347 -1.621 5.185 220 HA ASP 38 HA ASP 38 5.453 -3.579 5.213 221 2HB ASP 38 2HB ASP 38 6.855 -2.259 6.418 222 HD2 ASP 38 HD2 ASP 38 5.322 0.971 7.787 223 H LEU 39 H LEU 39 5.320 -4.599 7.698 224 HA LEU 39 HA LEU 39 2.454 -4.792 8.318 225 2HB LEU 39 2HB LEU 39 3.684 -7.156 9.152 226 HG LEU 39 HG LEU 39 1.396 -6.828 8.048 227 1HD1 LEU 39 1HD1 LEU 39 2.652 -7.532 5.442 228 2HD1 LEU 39 2HD1 LEU 39 1.141 -6.659 5.797 229 3HD1 LEU 39 3HD1 LEU 39 2.706 -5.826 5.950 230 1HD2 LEU 39 1HD2 LEU 39 3.096 -9.172 7.153 231 2HD2 LEU 39 2HD2 LEU 39 2.304 -9.006 8.739 232 3HD2 LEU 39 3HD2 LEU 39 1.320 -9.126 7.260 233 H PHE 40 H PHE 40 1.966 -3.991 10.282 234 HA PHE 40 HA PHE 40 4.159 -3.826 12.215 235 2HB PHE 40 2HB PHE 40 2.875 -1.753 11.411 236 HD1 PHE 40 HD1 PHE 40 0.900 -2.145 10.024 237 HD2 PHE 40 HD2 PHE 40 0.735 -2.598 14.240 238 HE1 PHE 40 HE1 PHE 40 -1.608 -2.099 9.931 239 HE2 PHE 40 HE2 PHE 40 -1.773 -2.551 14.148 240 HZ PHE 40 HZ PHE 40 -2.914 -2.303 11.994 241 H PHE 41 H PHE 41 2.502 -6.288 11.611 242 HA PHE 41 HA PHE 41 1.121 -6.513 14.187 243 2HB PHE 41 2HB PHE 41 0.782 -8.706 12.248 244 HD1 PHE 41 HD1 PHE 41 -1.231 -9.721 12.716 245 HD2 PHE 41 HD2 PHE 41 -0.860 -5.547 13.388 246 HE1 PHE 41 HE1 PHE 41 -3.555 -9.667 13.665 247 HE2 PHE 41 HE2 PHE 41 -3.184 -5.494 14.337 248 HZ PHE 41 HZ PHE 41 -4.503 -7.554 14.463 249 H CYS 42 H CYS 42 4.088 -7.105 12.813 250 HA CYS 42 HA CYS 42 4.364 -9.748 14.000 251 2HB CYS 42 2HB CYS 42 6.211 -10.090 12.655 252 HG CYS 42 HG CYS 42 5.666 -8.041 10.436 253 H CYS 43 H CYS 43 6.129 -6.558 13.866 254 HA CYS 43 HA CYS 43 7.027 -7.110 16.597 255 2HB CYS 43 2HB CYS 43 8.847 -5.467 16.114 256 HG CYS 43 HG CYS 43 8.258 -8.368 15.043 257 H ASP 44 H ASP 44 6.196 -4.357 14.351 258 HA ASP 44 HA ASP 44 4.946 -2.601 14.620 259 2HB ASP 44 2HB ASP 44 4.067 -3.678 17.336 260 HD2 ASP 44 HD2 ASP 44 1.401 -1.577 17.411 261 H ILE 45 H ILE 45 7.704 -3.149 15.976 262 HA ILE 45 HA ILE 45 7.593 -1.061 18.029 263 HB ILE 45 HB ILE 45 8.443 -3.232 18.740 264 2HG1 ILE 45 2HG1 ILE 45 9.582 -0.735 19.182 265 1HG2 ILE 45 1HG2 ILE 45 10.904 -2.953 17.073 266 2HG2 ILE 45 2HG2 ILE 45 10.129 -4.407 17.750 267 3HG2 ILE 45 3HG2 ILE 45 9.438 -3.617 16.313 268 1HD1 ILE 45 1HD1 ILE 45 10.463 -3.260 20.617 269 2HD1 ILE 45 2HD1 ILE 45 10.170 -1.642 21.296 270 3HD1 ILE 45 3HD1 ILE 45 8.799 -2.649 20.771 271 H CYS 46 H CYS 46 9.562 -2.215 15.206 272 HA CYS 46 HA CYS 46 10.600 0.497 14.984 273 2HB CYS 46 2HB CYS 46 12.271 -1.292 15.036 274 HG CYS 46 HG CYS 46 11.848 -2.291 12.076 275 H ALA 47 H ALA 47 8.224 -1.702 13.751 276 HA ALA 47 HA ALA 47 8.084 -0.292 11.192 277 1HB ALA 47 1HB ALA 47 7.982 -2.954 11.749 278 2HB ALA 47 2HB ALA 47 6.249 -2.551 11.806 279 3HB ALA 47 3HB ALA 47 7.194 -2.210 10.337 280 H ALA 48 H ALA 48 5.700 0.102 10.440 281 HA ALA 48 HA ALA 48 3.694 1.011 10.760 282 1HB ALA 48 1HB ALA 48 4.085 -0.482 13.160 283 2HB ALA 48 2HB ALA 48 3.419 1.102 13.625 284 3HB ALA 48 3HB ALA 48 2.552 0.080 12.453 285 H GLU 49 H GLU 49 5.377 2.773 10.050 286 HA GLU 49 HA GLU 49 5.935 4.665 12.122 287 2HB GLU 49 2HB GLU 49 6.483 5.808 9.574 288 2HG GLU 49 2HG GLU 49 8.155 4.371 11.673 289 HE2 GLU 49 HE2 GLU 49 9.083 6.998 9.847 290 H PHE 50 H PHE 50 5.186 6.925 12.080 291 HA PHE 50 HA PHE 50 2.422 7.048 11.302 292 2HB PHE 50 2HB PHE 50 3.799 7.961 13.428 293 HD1 PHE 50 HD1 PHE 50 2.698 11.116 12.350 294 HD2 PHE 50 HD2 PHE 50 6.120 8.606 12.359 295 HE1 PHE 50 HE1 PHE 50 4.171 13.122 12.020 296 HE2 PHE 50 HE2 PHE 50 7.592 10.612 12.028 297 HZ PHE 50 HZ PHE 50 6.600 12.845 11.862 298 H MET 51 H MET 51 5.205 7.383 9.556 299 HA MET 51 HA MET 51 5.068 9.851 8.392 300 2HB MET 51 2HB MET 51 5.964 8.341 6.319 301 2HG MET 51 2HG MET 51 7.886 7.975 8.487 302 1HE MET 51 1HE MET 51 9.712 7.710 7.721 303 2HE MET 51 2HE MET 51 10.255 7.932 6.041 304 3HE MET 51 3HE MET 51 10.635 9.163 7.269 305 H ASN 52 H ASN 52 2.770 7.278 8.242 306 HA ASN 52 HA ASN 52 1.733 8.245 5.716 307 2HB ASN 52 2HB ASN 52 0.222 6.081 7.058 308 1HD2 ASN 52 1HD2 ASN 52 2.755 5.262 4.893 309 2HD2 ASN 52 2HD2 ASN 52 1.847 5.196 3.419 310 H MET 53 H MET 53 -0.969 7.951 5.890 311 HA MET 53 HA MET 53 -1.649 9.799 8.012 312 2HB MET 53 2HB MET 53 -3.660 8.941 5.940 313 2HG MET 53 2HG MET 53 -2.941 11.352 7.517 314 1HE MET 53 1HE MET 53 -1.522 13.487 6.044 315 2HE MET 53 2HE MET 53 -1.070 11.773 5.887 316 3HE MET 53 3HE MET 53 -1.225 12.789 4.434 317 H MET 54 H MET 54 -4.102 9.483 8.802 318 HA MET 54 HA MET 54 -4.115 7.207 10.328 319 2HB MET 54 2HB MET 54 -6.641 7.847 10.580 320 2HG MET 54 2HG MET 54 -4.254 9.192 11.450 321 1HE MET 54 1HE MET 54 -3.386 11.157 11.847 322 2HE MET 54 2HE MET 54 -3.373 11.586 10.120 323 3HE MET 54 3HE MET 54 -3.923 12.772 11.328 324 H ASP 55 H ASP 55 -5.463 7.836 7.078 325 HA ASP 55 HA ASP 55 -7.275 5.915 6.788 326 2HB ASP 55 2HB ASP 55 -6.708 5.870 4.419 327 HD2 ASP 55 HD2 ASP 55 -8.183 7.437 5.415 328 H GLU 56 H GLU 56 -3.709 5.587 6.982 329 HA GLU 56 HA GLU 56 -3.272 3.149 5.974 330 2HB GLU 56 2HB GLU 56 -1.512 4.595 6.917 331 2HG GLU 56 2HG GLU 56 -3.057 4.962 9.089 332 HE2 GLU 56 HE2 GLU 56 -1.303 4.533 11.213 333 H ALA 57 H ALA 57 -4.683 3.940 9.195 334 HA ALA 57 HA ALA 57 -4.726 1.297 10.145 335 1HB ALA 57 1HB ALA 57 -6.867 2.767 11.289 336 2HB ALA 57 2HB ALA 57 -5.240 2.512 11.963 337 3HB ALA 57 3HB ALA 57 -5.572 3.943 10.959 338 H PHE 58 H PHE 58 -7.238 3.362 8.530 339 HA PHE 58 HA PHE 58 -9.314 1.614 8.556 340 2HB PHE 58 2HB PHE 58 -9.197 2.828 5.955 341 HD1 PHE 58 HD1 PHE 58 -9.460 4.710 9.151 342 HD2 PHE 58 HD2 PHE 58 -11.532 2.903 5.917 343 HE1 PHE 58 HE1 PHE 58 -11.611 5.712 9.968 344 HE2 PHE 58 HE2 PHE 58 -13.683 3.905 6.735 345 HZ PHE 58 HZ PHE 58 -13.697 5.297 8.751 346 H LYS 59 H LYS 59 -6.401 1.569 6.474 347 HA LYS 59 HA LYS 59 -7.173 -0.059 4.456 348 2HB LYS 59 2HB LYS 59 -4.819 -0.809 4.377 349 2HG LYS 59 2HG LYS 59 -3.835 1.390 4.087 350 2HD LYS 59 2HD LYS 59 -5.550 2.558 2.794 351 2HE LYS 59 2HE LYS 59 -5.989 -0.467 2.761 352 1HZ LYS 59 1HZ LYS 59 -7.467 1.426 1.457 353 2HZ LYS 59 2HZ LYS 59 -6.371 1.003 0.329 354 H HIS 60 H HIS 60 -5.967 -1.144 7.707 355 HA HIS 60 HA HIS 60 -6.213 -3.827 7.304 356 2HB HIS 60 2HB HIS 60 -5.920 -2.019 9.527 357 HD1 HIS 60 HD1 HIS 60 -6.950 -5.618 10.174 358 HD2 HIS 60 HD2 HIS 60 -8.152 -1.726 11.174 359 HE1 HIS 60 HE1 HIS 60 -8.721 -5.863 11.994 360 H THR 61 H THR 61 -8.734 -1.573 8.641 361 HA THR 61 HA THR 61 -10.739 -3.513 8.826 362 HB THR 61 HB THR 61 -10.626 -0.475 8.645 363 HG1 THR 61 HG1 THR 61 -11.598 -1.103 10.879 364 1HG2 THR 61 1HG2 THR 61 -12.997 -0.354 9.131 365 2HG2 THR 61 2HG2 THR 61 -12.852 -1.373 7.679 366 3HG2 THR 61 3HG2 THR 61 -13.122 -2.125 9.270 367 H ALA 62 H ALA 62 -9.590 -1.538 6.087 368 HA ALA 62 HA ALA 62 -11.787 -1.957 4.420 369 1HB ALA 62 1HB ALA 62 -8.928 -1.749 3.451 370 2HB ALA 62 2HB ALA 62 -10.407 -1.061 2.738 371 3HB ALA 62 3HB ALA 62 -9.732 -0.366 4.231 372 H ARG 63 H ARG 63 -8.655 -3.771 4.741 373 HA ARG 63 HA ARG 63 -9.716 -5.790 3.011 374 2HB ARG 63 2HB ARG 63 -7.508 -6.139 2.585 375 2HG ARG 63 2HG ARG 63 -6.815 -4.314 4.927 376 2HD ARG 63 2HD ARG 63 -5.267 -5.630 2.905 377 HE ARG 63 HE ARG 63 -5.818 -3.700 1.405 378 1HH1 ARG 63 1HH1 ARG 63 -3.623 -3.111 4.123 379 2HH1 ARG 63 2HH1 ARG 63 -2.888 -1.724 3.390 380 2HH2 ARG 63 2HH2 ARG 63 -3.623 -1.014 1.223 381 H HIS 64 H HIS 64 -10.510 -5.059 6.031 382 HA HIS 64 HA HIS 64 -9.900 -7.469 7.419 383 2HB HIS 64 2HB HIS 64 -11.825 -5.212 8.039 384 HD1 HIS 64 HD1 HIS 64 -10.230 -8.378 9.449 385 HD2 HIS 64 HD2 HIS 64 -13.067 -5.472 10.497 386 HE1 HIS 64 HE1 HIS 64 -11.346 -9.208 11.587 387 H ASN 65 H ASN 65 -12.905 -6.019 5.980 388 HA ASN 65 HA ASN 65 -13.988 -8.725 6.005 389 2HB ASN 65 2HB ASN 65 -16.227 -7.691 6.033 390 1HD2 ASN 65 1HD2 ASN 65 -16.937 -7.959 7.995 391 2HD2 ASN 65 2HD2 ASN 65 -16.207 -7.410 9.468 392 H VAL 66 H VAL 66 -14.411 -5.545 4.253 393 HA VAL 66 HA VAL 66 -14.776 -7.032 1.772 394 HB VAL 66 HB VAL 66 -16.299 -5.154 2.716 395 1HG1 VAL 66 1HG1 VAL 66 -15.626 -3.003 2.681 396 2HG1 VAL 66 2HG1 VAL 66 -13.984 -3.691 2.698 397 3HG1 VAL 66 3HG1 VAL 66 -14.729 -3.201 1.157 398 1HG2 VAL 66 1HG2 VAL 66 -16.210 -4.242 0.103 399 2HG2 VAL 66 2HG2 VAL 66 -15.491 -5.866 -0.010 400 3HG2 VAL 66 3HG2 VAL 66 -17.115 -5.659 0.688 401 H ASP 67 H ASP 67 -13.915 -4.641 0.178 402 HA ASP 67 HA ASP 67 -11.070 -4.695 0.750 403 2HB ASP 67 2HB ASP 67 -11.896 -4.795 -2.131 404 HD2 ASP 67 HD2 ASP 67 -9.387 -7.323 -2.165 405 H GLU 68 H GLU 68 -10.175 -2.615 0.494 406 HA GLU 68 HA GLU 68 -11.579 -0.769 -1.230 407 2HB GLU 68 2HB GLU 68 -11.949 -0.715 1.561 408 2HG GLU 68 2HG GLU 68 -10.249 1.669 0.711 409 HE2 GLU 68 HE2 GLU 68 -12.483 1.167 3.847 410 H LEU 69 H LEU 69 -10.205 0.778 -2.197 411 HA LEU 69 HA LEU 69 -7.432 0.781 -1.266 412 2HB LEU 69 2HB LEU 69 -8.304 -0.618 -3.517 413 HG LEU 69 HG LEU 69 -8.263 1.707 -4.669 414 1HD1 LEU 69 1HD1 LEU 69 -6.336 2.743 -3.878 415 2HD1 LEU 69 2HD1 LEU 69 -5.347 1.275 -4.062 416 3HD1 LEU 69 3HD1 LEU 69 -5.865 2.185 -5.501 417 1HD2 LEU 69 1HD2 LEU 69 -6.725 0.501 -6.549 418 2HD2 LEU 69 2HD2 LEU 69 -7.159 -0.894 -5.532 419 3HD2 LEU 69 3HD2 LEU 69 -8.437 0.115 -6.249 420 H HIS 70 H HIS 70 -6.557 2.805 -1.171 421 HA HIS 70 HA HIS 70 -7.788 4.881 -2.777 422 2HB HIS 70 2HB HIS 70 -7.358 5.556 0.095 423 HD1 HIS 70 HD1 HIS 70 -10.269 5.682 -2.412 424 HD2 HIS 70 HD2 HIS 70 -7.881 8.224 -0.081 425 HE1 HIS 70 HE1 HIS 70 -11.184 8.038 -2.758 426 H ILE 71 H ILE 71 -6.335 6.517 -3.364 427 HA ILE 71 HA ILE 71 -3.689 6.378 -2.126 428 HB ILE 71 HB ILE 71 -2.566 5.939 -4.017 429 2HG1 ILE 71 2HG1 ILE 71 -3.146 7.912 -5.237 430 1HG2 ILE 71 1HG2 ILE 71 -3.458 4.102 -5.090 431 2HG2 ILE 71 2HG2 ILE 71 -4.442 4.173 -3.608 432 3HG2 ILE 71 3HG2 ILE 71 -5.099 4.790 -5.143 433 1HD1 ILE 71 1HD1 ILE 71 -2.183 6.183 -6.656 434 2HD1 ILE 71 2HD1 ILE 71 -3.762 5.378 -6.820 435 3HD1 ILE 71 3HD1 ILE 71 -3.496 6.973 -7.562 436 H ASP 72 H ASP 72 -2.875 8.364 -1.632 437 HA ASP 72 HA ASP 72 -3.950 10.617 -3.089 438 2HB ASP 72 2HB ASP 72 -4.376 11.870 -0.999 439 HD2 ASP 72 HD2 ASP 72 -5.914 10.628 -2.729 440 H GLY 73 H GLY 73 -2.380 12.327 -3.252 441 1HA GLY 73 1HA GLY 73 0.119 11.964 -1.725 442 2HA GLY 73 2HA GLY 73 0.148 12.147 -3.467 443 H ASN 74 H ASN 74 0.825 13.849 -0.811 444 HA ASN 74 HA ASN 74 0.033 16.314 -2.095 445 2HB ASN 74 2HB ASN 74 -0.157 16.232 0.915 446 1HD2 ASN 74 1HD2 ASN 74 -1.490 17.841 1.687 447 2HD2 ASN 74 2HD2 ASN 74 -2.061 19.158 0.717 448 H TYR 75 H TYR 75 1.656 17.954 -1.808 449 HA TYR 75 HA TYR 75 4.225 17.125 -1.166 450 2HB TYR 75 2HB TYR 75 3.389 20.004 -0.789 451 HD1 TYR 75 HD1 TYR 75 4.275 20.652 -3.729 452 HD2 TYR 75 HD2 TYR 75 6.031 18.386 -0.554 453 HE1 TYR 75 HE1 TYR 75 6.590 21.098 -4.681 454 HE2 TYR 75 HE2 TYR 75 8.340 18.840 -1.517 455 HH TYR 75 HH TYR 75 9.317 19.379 -3.667 456 H GLN 76 H GLN 76 1.586 17.879 0.925 457 HA GLN 76 HA GLN 76 3.410 18.627 3.054 458 2HB GLN 76 2HB GLN 76 0.729 18.629 4.005 459 2HG GLN 76 2HG GLN 76 1.754 21.202 2.963 460 1HE2 GLN 76 1HE2 GLN 76 2.926 21.536 5.728 461 2HE2 GLN 76 2HE2 GLN 76 1.571 21.756 6.784 462 H LEU 77 H LEU 77 2.042 15.875 1.666 463 HA LEU 77 HA LEU 77 1.053 14.395 3.743 464 2HB LEU 77 2HB LEU 77 2.629 13.637 1.292 465 HG LEU 77 HG LEU 77 1.379 11.832 3.349 466 1HD1 LEU 77 1HD1 LEU 77 0.114 11.420 1.307 467 2HD1 LEU 77 2HD1 LEU 77 1.627 11.215 0.392 468 3HD1 LEU 77 3HD1 LEU 77 1.196 10.054 1.670 469 1HD2 LEU 77 1HD2 LEU 77 4.018 12.308 2.337 470 2HD2 LEU 77 2HD2 LEU 77 3.488 11.216 3.639 471 3HD2 LEU 77 3HD2 LEU 77 3.537 10.637 1.956 472 H GLY 78 H GLY 78 4.500 14.851 2.739 473 1HA GLY 78 1HA GLY 78 5.829 15.117 4.941 474 2HA GLY 78 2HA GLY 78 5.339 13.452 5.185 475 H ARG 79 H ARG 79 5.952 14.793 1.932 476 HA ARG 79 HA ARG 79 7.304 14.143 0.365 477 2HB ARG 79 2HB ARG 79 9.843 13.990 1.206 478 2HG ARG 79 2HG ARG 79 8.722 16.670 1.867 479 2HD ARG 79 2HD ARG 79 11.138 16.191 1.259 480 HE ARG 79 HE ARG 79 9.879 15.216 -1.244 481 1HH1 ARG 79 1HH1 ARG 79 12.860 16.135 0.438 482 2HH1 ARG 79 2HH1 ARG 79 13.894 15.318 -0.688 483 2HH2 ARG 79 2HH2 ARG 79 12.922 14.151 -2.541 484 H ASN 80 H ASN 80 5.910 11.947 1.266 485 HA ASN 80 HA ASN 80 7.975 9.889 1.318 486 2HB ASN 80 2HB ASN 80 6.436 8.479 2.645 487 1HD2 ASN 80 1HD2 ASN 80 4.878 10.236 4.573 488 2HD2 ASN 80 2HD2 ASN 80 6.070 10.945 5.610 489 H VAL 81 H VAL 81 7.900 8.666 -0.573 490 HA VAL 81 HA VAL 81 5.311 8.537 -1.960 491 HB VAL 81 HB VAL 81 6.798 9.871 -3.236 492 1HG1 VAL 81 1HG1 VAL 81 9.052 9.132 -3.912 493 2HG1 VAL 81 2HG1 VAL 81 8.905 9.279 -2.144 494 3HG1 VAL 81 3HG1 VAL 81 8.870 7.672 -2.909 495 1HG2 VAL 81 1HG2 VAL 81 7.332 8.208 -5.204 496 2HG2 VAL 81 2HG2 VAL 81 6.402 7.058 -4.212 497 3HG2 VAL 81 3HG2 VAL 81 5.647 8.573 -4.762 498 H LEU 82 H LEU 82 4.412 6.570 -1.625 499 HA LEU 82 HA LEU 82 6.232 4.271 -1.766 500 2HB LEU 82 2HB LEU 82 5.039 3.168 -0.041 501 HG LEU 82 HG LEU 82 5.428 6.030 0.879 502 1HD1 LEU 82 1HD1 LEU 82 4.902 5.431 2.964 503 2HD1 LEU 82 2HD1 LEU 82 4.120 4.014 2.224 504 3HD1 LEU 82 3HD1 LEU 82 5.784 3.890 2.844 505 1HD2 LEU 82 1HD2 LEU 82 7.377 3.784 1.330 506 2HD2 LEU 82 2HD2 LEU 82 7.405 4.728 -0.178 507 3HD2 LEU 82 3HD2 LEU 82 7.639 5.544 1.386 508 H LEU 83 H LEU 83 5.791 2.996 -3.476 509 HA LEU 83 HA LEU 83 3.040 3.092 -4.503 510 2HB LEU 83 2HB LEU 83 5.686 2.888 -5.924 511 HG LEU 83 HG LEU 83 2.937 2.246 -6.973 512 1HD1 LEU 83 1HD1 LEU 83 5.210 3.547 -8.476 513 2HD1 LEU 83 2HD1 LEU 83 3.961 2.571 -9.284 514 3HD1 LEU 83 3HD1 LEU 83 3.501 4.038 -8.388 515 1HD2 LEU 83 1HD2 LEU 83 4.420 0.593 -8.309 516 2HD2 LEU 83 2HD2 LEU 83 5.661 0.974 -7.090 517 3HD2 LEU 83 3HD2 LEU 83 4.102 0.276 -6.586 518 H LYS 84 H LYS 84 1.912 1.263 -4.161 519 HA LYS 84 HA LYS 84 3.452 -1.238 -4.107 520 2HB LYS 84 2HB LYS 84 1.580 -0.104 -2.099 521 2HG LYS 84 2HG LYS 84 0.297 -2.054 -3.037 522 2HD LYS 84 2HD LYS 84 2.978 -3.336 -2.698 523 2HE LYS 84 2HE LYS 84 1.798 -5.598 -2.423 524 1HZ LYS 84 1HZ LYS 84 1.394 -3.946 -0.017 525 2HZ LYS 84 2HZ LYS 84 1.996 -5.456 -0.119 526 H ASN 85 H ASN 85 2.863 -2.584 -5.715 527 HA ASN 85 HA ASN 85 0.180 -2.184 -6.781 528 2HB ASN 85 2HB ASN 85 1.921 -1.681 -8.450 529 1HD2 ASN 85 1HD2 ASN 85 2.923 -3.716 -10.154 530 2HD2 ASN 85 2HD2 ASN 85 4.355 -4.386 -9.448 531 H GLY 86 H GLY 86 -1.189 -3.899 -6.273 532 1HA GLY 86 1HA GLY 86 0.054 -6.548 -5.817 533 2HA GLY 86 2HA GLY 86 -1.331 -5.933 -4.937 534 H GLU 87 H GLU 87 -0.443 -8.017 -7.377 535 HA GLU 87 HA GLU 87 -3.056 -7.710 -8.634 536 2HB GLU 87 2HB GLU 87 -1.537 -7.067 -10.343 537 2HG GLU 87 2HG GLU 87 0.166 -9.475 -9.542 538 HE2 GLU 87 HE2 GLU 87 0.783 -9.038 -13.014 539 H ASP 88 H ASP 88 -4.364 -9.447 -8.266 540 HA ASP 88 HA ASP 88 -3.005 -11.941 -7.613 541 2HB ASP 88 2HB ASP 88 -4.461 -10.815 -5.827 542 HD2 ASP 88 HD2 ASP 88 -7.015 -12.623 -7.731 543 H ARG 89 H ARG 89 -3.215 -13.449 -9.273 544 HA ARG 89 HA ARG 89 -5.776 -13.727 -10.508 545 2HB ARG 89 2HB ARG 89 -4.230 -12.009 -11.838 546 2HG ARG 89 2HG ARG 89 -3.317 -14.587 -13.144 547 2HD ARG 89 2HD ARG 89 -3.197 -11.975 -13.972 548 HE ARG 89 HE ARG 89 -1.520 -10.959 -12.705 549 1HH1 ARG 89 1HH1 ARG 89 -0.583 -14.322 -13.311 550 2HH1 ARG 89 2HH1 ARG 89 0.986 -14.143 -12.599 551 2HH2 ARG 89 2HH2 ARG 89 1.632 -12.018 -11.699 552 H LEU 90 H LEU 90 -5.920 -15.803 -11.753 553 HA LEU 90 HA LEU 90 -3.629 -17.548 -11.605 554 2HB LEU 90 2HB LEU 90 -4.204 -18.232 -9.547 555 HG LEU 90 HG LEU 90 -6.668 -16.827 -9.959 556 1HD1 LEU 90 1HD1 LEU 90 -7.489 -19.070 -8.306 557 2HD1 LEU 90 2HD1 LEU 90 -8.328 -18.276 -9.661 558 3HD1 LEU 90 3HD1 LEU 90 -7.149 -19.572 -9.981 559 1HD2 LEU 90 1HD2 LEU 90 -6.667 -16.662 -7.568 560 2HD2 LEU 90 2HD2 LEU 90 -5.559 -18.046 -7.419 561 3HD2 LEU 90 3HD2 LEU 90 -4.988 -16.522 -8.140 562 H ARG 91 H ARG 91 -4.001 -19.569 -12.840 563 HA ARG 91 HA ARG 91 -5.336 -18.992 -15.189 564 2HB ARG 91 2HB ARG 91 -3.567 -20.553 -15.389 565 2HG ARG 91 2HG ARG 91 -4.244 -22.817 -13.825 566 2HD ARG 91 2HD ARG 91 -2.240 -21.971 -12.419 567 HE ARG 91 HE ARG 91 -2.188 -22.592 -15.307 568 1HH1 ARG 91 1HH1 ARG 91 -0.291 -22.158 -12.345 569 2HH1 ARG 91 2HH1 ARG 91 1.072 -23.043 -12.941 570 2HH2 ARG 91 2HH2 ARG 91 0.994 -23.975 -15.147 571 H PHE 92 H PHE 92 -6.287 -20.701 -12.204 572 HA PHE 92 HA PHE 92 -8.617 -21.879 -13.350 573 2HB PHE 92 2HB PHE 92 -8.896 -22.684 -11.087 574 HD1 PHE 92 HD1 PHE 92 -7.086 -23.843 -12.890 575 HD2 PHE 92 HD2 PHE 92 -6.178 -21.740 -9.318 576 HE1 PHE 92 HE1 PHE 92 -4.905 -25.074 -12.719 577 HE2 PHE 92 HE2 PHE 92 -3.998 -22.971 -9.147 578 HZ PHE 92 HZ PHE 92 -3.387 -24.623 -10.849 579 H TYR 93 H TYR 93 -7.874 -18.695 -12.877 580 HA TYR 93 HA TYR 93 -10.480 -17.976 -11.766 581 2HB TYR 93 2HB TYR 93 -8.551 -15.882 -12.653 582 HD1 TYR 93 HD1 TYR 93 -10.202 -17.659 -9.825 583 HD2 TYR 93 HD2 TYR 93 -8.564 -13.972 -11.248 584 HE1 TYR 93 HE1 TYR 93 -11.164 -16.445 -7.808 585 HE2 TYR 93 HE2 TYR 93 -9.531 -12.770 -9.226 586 HH TYR 93 HH TYR 93 -11.877 -14.109 -7.288 587 H VAL 94 H VAL 94 -11.898 -16.496 -12.868 588 HA VAL 94 HA VAL 94 -11.471 -16.532 -15.773 589 HB VAL 94 HB VAL 94 -13.919 -16.681 -14.033 590 1HG1 VAL 94 1HG1 VAL 94 -13.890 -16.018 -16.998 591 2HG1 VAL 94 2HG1 VAL 94 -15.330 -16.341 -16.002 592 3HG1 VAL 94 3HG1 VAL 94 -14.334 -14.899 -15.687 593 1HG2 VAL 94 1HG2 VAL 94 -12.933 -18.803 -14.624 594 2HG2 VAL 94 2HG2 VAL 94 -14.433 -18.594 -15.560 595 3HG2 VAL 94 3HG2 VAL 94 -12.854 -18.340 -16.341 596 H LYS 95 H LYS 95 -11.391 -14.596 -12.968 597 HA LYS 95 HA LYS 95 -12.389 -12.214 -14.246 598 2HB LYS 95 2HB LYS 95 -11.438 -12.987 -11.524 599 2HG LYS 95 2HG LYS 95 -10.103 -10.952 -12.010 600 2HD LYS 95 2HD LYS 95 -11.647 -10.096 -13.844 601 2HE LYS 95 2HE LYS 95 -13.787 -10.380 -12.538 602 1HZ LYS 95 1HZ LYS 95 -12.456 -9.013 -10.579 603 2HZ LYS 95 2HZ LYS 95 -13.494 -7.892 -11.146 604 H PHE 96 H PHE 96 -9.204 -13.429 -12.996 605 HA PHE 96 HA PHE 96 -7.158 -12.557 -13.312 606 2HB PHE 96 2HB PHE 96 -7.733 -14.196 -15.201 607 HD1 PHE 96 HD1 PHE 96 -10.112 -13.722 -15.972 608 HD2 PHE 96 HD2 PHE 96 -6.747 -11.622 -17.480 609 HE1 PHE 96 HE1 PHE 96 -11.451 -13.012 -17.972 610 HE2 PHE 96 HE2 PHE 96 -8.087 -10.913 -19.481 611 HZ PHE 96 HZ PHE 96 -10.422 -11.617 -19.703 612 H GLY 97 H GLY 97 -8.340 -10.350 -12.547 613 1HA GLY 97 1HA GLY 97 -8.333 -8.338 -14.654 614 2HA GLY 97 2HA GLY 97 -8.805 -8.135 -12.979 615 HA PRO 98 HA PRO 98 -4.170 -7.354 -13.681 616 2HB PRO 98 2HB PRO 98 -3.586 -7.182 -15.901 617 2HG PRO 98 2HG PRO 98 -5.369 -7.014 -17.356 618 2HD PRO 98 2HD PRO 98 -7.017 -8.005 -16.097 619 H GLY 99 H GLY 99 -3.203 -6.070 -12.209 620 1HA GLY 99 1HA GLY 99 -4.738 -3.615 -11.596 621 2HA GLY 99 2HA GLY 99 -3.896 -4.597 -10.414 622 H ALA 100 H ALA 100 -3.468 -2.408 -13.229 623 HA ALA 100 HA ALA 100 -0.621 -2.212 -12.658 624 1HB ALA 100 1HB ALA 100 -1.759 -2.418 -15.002 625 2HB ALA 100 2HB ALA 100 -2.127 -0.690 -14.791 626 3HB ALA 100 3HB ALA 100 -0.436 -1.247 -14.788 627 H VAL 101 H VAL 101 0.399 -0.214 -12.084 628 HA VAL 101 HA VAL 101 -0.826 1.249 -10.145 629 HB VAL 101 HB VAL 101 0.953 2.941 -10.611 630 1HG1 VAL 101 1HG1 VAL 101 2.850 1.060 -10.461 631 2HG1 VAL 101 2HG1 VAL 101 1.745 1.410 -9.112 632 3HG1 VAL 101 3HG1 VAL 101 1.430 0.026 -10.185 633 1HG2 VAL 101 1HG2 VAL 101 2.272 1.205 -12.607 634 2HG2 VAL 101 2HG2 VAL 101 0.838 2.077 -13.199 635 3HG2 VAL 101 3HG2 VAL 101 2.201 2.981 -12.494 636 H ILE 102 H ILE 102 -0.944 1.675 -13.691 637 HA ILE 102 HA ILE 102 -2.044 4.252 -13.667 638 HB ILE 102 HB ILE 102 -1.034 2.641 -15.544 639 2HG1 ILE 102 2HG1 ILE 102 -1.825 5.209 -15.423 640 1HG2 ILE 102 1HG2 ILE 102 -2.641 1.767 -17.037 641 2HG2 ILE 102 2HG2 ILE 102 -3.121 1.204 -15.418 642 3HG2 ILE 102 3HG2 ILE 102 -3.986 2.558 -16.182 643 1HD1 ILE 102 1HD1 ILE 102 -1.311 3.772 -18.063 644 2HD1 ILE 102 2HD1 ILE 102 -0.922 5.462 -17.658 645 3HD1 ILE 102 3HD1 ILE 102 -0.033 4.131 -16.877 646 H LYS 103 H LYS 103 -3.475 0.956 -13.492 647 HA LYS 103 HA LYS 103 -6.137 1.801 -13.747 648 2HB LYS 103 2HB LYS 103 -5.221 -0.644 -12.230 649 2HG LYS 103 2HG LYS 103 -7.659 -0.217 -12.333 650 2HD LYS 103 2HD LYS 103 -7.992 1.165 -14.241 651 2HE LYS 103 2HE LYS 103 -5.903 0.599 -15.453 652 1HZ LYS 103 1HZ LYS 103 -7.179 -2.003 -15.599 653 2HZ LYS 103 2HZ LYS 103 -6.465 -1.527 -16.983 654 H GLU 104 H GLU 104 -3.854 1.634 -11.007 655 HA GLU 104 HA GLU 104 -5.515 1.715 -8.906 656 2HB GLU 104 2HB GLU 104 -3.072 3.516 -9.179 657 2HG GLU 104 2HG GLU 104 -4.670 3.422 -7.052 658 HE2 GLU 104 HE2 GLU 104 -4.195 -0.273 -7.004 659 H PHE 105 H PHE 105 -4.453 4.562 -10.895 660 HA PHE 105 HA PHE 105 -5.670 6.563 -9.543 661 2HB PHE 105 2HB PHE 105 -4.659 5.941 -12.199 662 HD1 PHE 105 HD1 PHE 105 -7.109 8.670 -11.526 663 HD2 PHE 105 HD2 PHE 105 -5.917 5.512 -14.099 664 HE1 PHE 105 HE1 PHE 105 -8.872 9.349 -13.178 665 HE2 PHE 105 HE2 PHE 105 -7.681 6.192 -15.751 666 HZ PHE 105 HZ PHE 105 -9.137 8.102 -15.271 667 H LYS 106 H LYS 106 -7.187 4.102 -11.655 668 HA LYS 106 HA LYS 106 -9.632 5.333 -12.043 669 2HB LYS 106 2HB LYS 106 -8.477 2.997 -12.816 670 2HG LYS 106 2HG LYS 106 -10.636 2.363 -10.757 671 2HD LYS 106 2HD LYS 106 -9.430 0.451 -12.806 672 2HE LYS 106 2HE LYS 106 -11.516 -0.885 -12.037 673 1HZ LYS 106 1HZ LYS 106 -10.154 -1.950 -10.570 674 2HZ LYS 106 2HZ LYS 106 -9.004 -0.944 -11.136 675 H ILE 107 H ILE 107 -8.136 4.290 -9.122 676 HA ILE 107 HA ILE 107 -9.840 3.238 -7.473 677 HB ILE 107 HB ILE 107 -9.181 5.084 -5.790 678 2HG1 ILE 107 2HG1 ILE 107 -8.752 6.869 -7.390 679 1HG2 ILE 107 1HG2 ILE 107 -6.618 4.141 -6.527 680 2HG2 ILE 107 2HG2 ILE 107 -7.724 3.491 -5.294 681 3HG2 ILE 107 3HG2 ILE 107 -7.785 2.869 -6.961 682 1HD1 ILE 107 1HD1 ILE 107 -6.022 6.059 -6.356 683 2HD1 ILE 107 2HD1 ILE 107 -6.755 7.679 -6.427 684 3HD1 ILE 107 3HD1 ILE 107 -7.317 6.499 -5.218 685 H THR 108 H THR 108 -10.218 6.639 -8.658 686 HA THR 108 HA THR 108 -13.082 6.356 -8.384 687 HB THR 108 HB THR 108 -13.149 8.498 -6.969 688 HG1 THR 108 HG1 THR 108 -11.115 9.349 -6.780 689 1HG2 THR 108 1HG2 THR 108 -12.904 7.374 -4.902 690 2HG2 THR 108 2HG2 THR 108 -13.157 6.008 -6.015 691 3HG2 THR 108 3HG2 THR 108 -11.512 6.424 -5.477 692 H ASP 109 H ASP 109 -10.333 8.626 -9.013 693 HA ASP 109 HA ASP 109 -11.723 10.353 -10.593 694 2HB ASP 109 2HB ASP 109 -8.871 9.493 -11.209 695 HD2 ASP 109 HD2 ASP 109 -8.251 12.643 -10.597 Start of MODEL 16 1 1H MET 1 1H MET 1 7.405 15.955 -7.798 2 HA MET 1 HA MET 1 6.780 16.614 -5.241 3 2HB MET 1 2HB MET 1 5.240 17.030 -7.091 4 2HG MET 1 2HG MET 1 5.152 13.987 -7.366 5 1HE MET 1 1HE MET 1 3.837 12.880 -8.966 6 2HE MET 1 2HE MET 1 2.577 13.090 -7.726 7 3HE MET 1 3HE MET 1 2.193 13.367 -9.441 8 H SER 2 H SER 2 4.690 15.122 -4.224 9 HA SER 2 HA SER 2 5.984 12.559 -3.705 10 2HB SER 2 2HB SER 2 4.290 13.128 -1.519 11 HG SER 2 HG SER 2 7.109 13.742 -1.615 12 H GLU 3 H GLU 3 4.727 10.727 -4.025 13 HA GLU 3 HA GLU 3 1.862 11.068 -4.059 14 2HB GLU 3 2HB GLU 3 2.677 9.409 -6.327 15 2HG GLU 3 2HG GLU 3 1.313 11.590 -7.330 16 HE2 GLU 3 HE2 GLU 3 -0.062 8.769 -8.270 17 H VAL 4 H VAL 4 0.920 9.391 -2.963 18 HA VAL 4 HA VAL 4 2.385 6.852 -2.909 19 HB VAL 4 HB VAL 4 2.932 7.895 -0.857 20 1HG1 VAL 4 1HG1 VAL 4 0.016 8.672 -0.757 21 2HG1 VAL 4 2HG1 VAL 4 1.014 8.623 0.716 22 3HG1 VAL 4 3HG1 VAL 4 1.460 9.705 -0.625 23 1HG2 VAL 4 1HG2 VAL 4 0.649 5.933 -0.472 24 2HG2 VAL 4 2HG2 VAL 4 2.386 5.562 -0.602 25 3HG2 VAL 4 3HG2 VAL 4 1.766 6.442 0.816 26 H ASN 5 H ASN 5 1.133 5.211 -3.628 27 HA ASN 5 HA ASN 5 -1.700 5.386 -3.070 28 2HB ASN 5 2HB ASN 5 -2.386 5.139 -5.317 29 1HD2 ASN 5 1HD2 ASN 5 -1.911 7.431 -4.209 30 2HD2 ASN 5 2HD2 ASN 5 -1.029 8.531 -5.213 31 H ILE 6 H ILE 6 -2.486 3.330 -2.466 32 HA ILE 6 HA ILE 6 -0.996 0.988 -3.338 33 HB ILE 6 HB ILE 6 -1.430 1.760 -0.454 34 2HG1 ILE 6 2HG1 ILE 6 0.898 1.664 -2.287 35 1HG2 ILE 6 1HG2 ILE 6 -2.017 -0.662 -1.062 36 2HG2 ILE 6 2HG2 ILE 6 -0.278 -0.869 -1.379 37 3HG2 ILE 6 3HG2 ILE 6 -0.836 -0.393 0.243 38 1HD1 ILE 6 1HD1 ILE 6 0.360 3.061 0.374 39 2HD1 ILE 6 2HD1 ILE 6 1.691 3.414 -0.754 40 3HD1 ILE 6 3HD1 ILE 6 0.010 3.756 -1.227 41 H VAL 7 H VAL 7 -2.365 -0.624 -3.936 42 HA VAL 7 HA VAL 7 -5.107 -0.454 -2.898 43 HB VAL 7 HB VAL 7 -4.844 0.423 -5.228 44 1HG1 VAL 7 1HG1 VAL 7 -4.672 -1.475 -6.987 45 2HG1 VAL 7 2HG1 VAL 7 -3.175 -0.863 -6.241 46 3HG1 VAL 7 3HG1 VAL 7 -3.884 -2.400 -5.687 47 1HG2 VAL 7 1HG2 VAL 7 -6.712 -1.045 -6.169 48 2HG2 VAL 7 2HG2 VAL 7 -6.576 -1.996 -4.671 49 3HG2 VAL 7 3HG2 VAL 7 -7.016 -0.272 -4.594 50 H VAL 8 H VAL 8 -6.059 -2.412 -2.314 51 HA VAL 8 HA VAL 8 -4.429 -4.802 -2.792 52 HB VAL 8 HB VAL 8 -5.171 -5.469 -0.430 53 1HG1 VAL 8 1HG1 VAL 8 -2.861 -4.394 -1.417 54 2HG1 VAL 8 2HG1 VAL 8 -3.230 -3.267 -0.090 55 3HG1 VAL 8 3HG1 VAL 8 -3.066 -5.008 0.241 56 1HG2 VAL 8 1HG2 VAL 8 -5.131 -2.600 0.326 57 2HG2 VAL 8 2HG2 VAL 8 -6.615 -3.177 -0.469 58 3HG2 VAL 8 3HG2 VAL 8 -6.041 -3.961 1.023 59 H ASN 9 H ASN 9 -5.650 -6.080 -4.083 60 HA ASN 9 HA ASN 9 -8.471 -6.252 -3.374 61 2HB ASN 9 2HB ASN 9 -8.708 -6.833 -5.949 62 1HD2 ASN 9 1HD2 ASN 9 -9.417 -5.117 -7.357 63 2HD2 ASN 9 2HD2 ASN 9 -9.875 -3.578 -6.706 64 H GLY 10 H GLY 10 -8.775 -8.338 -2.574 65 1HA GLY 10 1HA GLY 10 -8.945 -10.657 -3.219 66 2HA GLY 10 2HA GLY 10 -7.354 -10.541 -3.943 67 H ARG 11 H ARG 11 -7.209 -8.610 -1.204 68 HA ARG 11 HA ARG 11 -6.083 -8.821 0.641 69 2HB ARG 11 2HB ARG 11 -7.789 -11.340 0.984 70 2HG ARG 11 2HG ARG 11 -7.178 -9.611 3.318 71 2HD ARG 11 2HD ARG 11 -7.277 -11.633 4.478 72 HE ARG 11 HE ARG 11 -8.671 -13.021 2.385 73 1HH1 ARG 11 1HH1 ARG 11 -8.840 -10.010 4.244 74 2HH1 ARG 11 2HH1 ARG 11 -10.555 -9.851 4.069 75 2HH2 ARG 11 2HH2 ARG 11 -11.767 -11.512 2.836 76 H GLU 12 H GLU 12 -4.396 -9.636 -1.277 77 HA GLU 12 HA GLU 12 -3.262 -12.099 -0.200 78 2HB GLU 12 2HB GLU 12 -4.156 -12.455 -2.483 79 2HG GLU 12 2HG GLU 12 -2.088 -10.859 -3.842 80 HE2 GLU 12 HE2 GLU 12 -4.023 -9.513 -5.643 81 H ALA 13 H ALA 13 -0.866 -12.218 -0.255 82 HA ALA 13 HA ALA 13 0.408 -9.597 -0.558 83 1HB ALA 13 1HB ALA 13 1.661 -10.054 1.561 84 2HB ALA 13 2HB ALA 13 -0.087 -9.838 1.817 85 3HB ALA 13 3HB ALA 13 0.619 -11.472 1.833 86 H GLY 14 H GLY 14 2.627 -9.701 -1.188 87 1HA GLY 14 1HA GLY 14 3.935 -12.253 -1.456 88 2HA GLY 14 2HA GLY 14 3.364 -11.604 -2.980 89 H SER 15 H SER 15 4.813 -10.114 0.010 90 HA SER 15 HA SER 15 7.123 -9.379 -1.493 91 2HB SER 15 2HB SER 15 5.971 -6.974 -0.212 92 HG SER 15 HG SER 15 6.867 -5.990 -1.980 93 H LYS 16 H LYS 16 8.465 -7.722 0.129 94 HA LYS 16 HA LYS 16 8.812 -9.273 2.489 95 2HB LYS 16 2HB LYS 16 10.653 -7.731 2.941 96 2HG LYS 16 2HG LYS 16 10.289 -9.242 0.481 97 2HD LYS 16 2HD LYS 16 12.205 -8.145 -0.763 98 2HE LYS 16 2HE LYS 16 9.810 -6.287 -0.389 99 1HZ LYS 16 1HZ LYS 16 11.195 -6.867 -2.918 100 2HZ LYS 16 2HZ LYS 16 10.358 -5.534 -2.501 101 H SER 17 H SER 17 6.496 -7.021 1.634 102 HA SER 17 HA SER 17 6.370 -5.224 3.633 103 2HB SER 17 2HB SER 17 4.751 -5.063 1.911 104 HG SER 17 HG SER 17 4.036 -7.773 2.623 105 H LYS 18 H LYS 18 5.620 -8.716 3.719 106 HA LYS 18 HA LYS 18 4.179 -8.819 6.073 107 2HB LYS 18 2HB LYS 18 5.017 -11.175 6.188 108 2HG LYS 18 2HG LYS 18 4.418 -10.810 3.295 109 2HD LYS 18 2HD LYS 18 2.407 -11.984 5.132 110 2HE LYS 18 2HE LYS 18 3.881 -13.590 3.077 111 1HZ LYS 18 1HZ LYS 18 0.982 -13.095 3.212 112 2HZ LYS 18 2HZ LYS 18 1.760 -14.451 2.757 113 H GLY 19 H GLY 19 7.495 -7.935 5.505 114 1HA GLY 19 1HA GLY 19 8.443 -8.636 8.137 115 2HA GLY 19 2HA GLY 19 9.287 -7.733 6.895 116 H CYS 20 H CYS 20 9.782 -5.689 7.540 117 HA CYS 20 HA CYS 20 7.672 -4.186 8.874 118 2HB CYS 20 2HB CYS 20 8.816 -3.747 10.765 119 HG CYS 20 HG CYS 20 8.714 -6.402 10.542 120 H ALA 21 H ALA 21 8.234 -1.748 8.781 121 HA ALA 21 HA ALA 21 8.953 -1.104 6.130 122 1HB ALA 21 1HB ALA 21 7.310 0.112 7.607 123 2HB ALA 21 2HB ALA 21 8.692 0.733 8.541 124 3HB ALA 21 3HB ALA 21 8.510 1.170 6.826 125 H LEU 22 H LEU 22 10.765 -1.693 9.037 126 HA LEU 22 HA LEU 22 13.062 -0.261 7.905 127 2HB LEU 22 2HB LEU 22 13.667 -1.120 10.500 128 HG LEU 22 HG LEU 22 13.402 1.264 11.162 129 1HD1 LEU 22 1HD1 LEU 22 14.923 0.748 8.592 130 2HD1 LEU 22 2HD1 LEU 22 15.161 2.147 9.668 131 3HD1 LEU 22 3HD1 LEU 22 15.510 0.503 10.255 132 1HD2 LEU 22 1HD2 LEU 22 12.536 1.728 8.297 133 2HD2 LEU 22 2HD2 LEU 22 11.443 1.739 9.701 134 3HD2 LEU 22 3HD2 LEU 22 12.745 2.947 9.577 135 H CYS 23 H CYS 23 12.258 -3.298 9.743 136 HA CYS 23 HA CYS 23 14.456 -4.558 8.285 137 2HB CYS 23 2HB CYS 23 13.801 -6.367 10.212 138 HG CYS 23 HG CYS 23 15.555 -3.711 11.010 139 H GLY 24 H GLY 24 13.937 -7.053 7.904 140 1HA GLY 24 1HA GLY 24 11.135 -7.631 7.444 141 2HA GLY 24 2HA GLY 24 12.085 -7.399 5.991 142 H ALA 25 H ALA 25 12.394 -9.088 9.204 143 HA ALA 25 HA ALA 25 13.622 -11.322 7.742 144 1HB ALA 25 1HB ALA 25 13.812 -10.709 10.712 145 2HB ALA 25 2HB ALA 25 14.809 -11.833 9.759 146 3HB ALA 25 3HB ALA 25 14.967 -10.077 9.515 147 H THR 26 H THR 26 10.812 -10.183 9.383 148 HA THR 26 HA THR 26 9.942 -12.957 9.857 149 HB THR 26 HB THR 26 10.021 -11.660 11.931 150 HG1 THR 26 HG1 THR 26 7.693 -11.779 12.320 151 1HG2 THR 26 1HG2 THR 26 9.937 -9.351 10.886 152 2HG2 THR 26 2HG2 THR 26 8.224 -9.638 10.492 153 3HG2 THR 26 3HG2 THR 26 8.746 -9.563 12.192 154 H TRP 27 H TRP 27 7.683 -13.467 9.381 155 HA TRP 27 HA TRP 27 6.280 -11.647 7.656 156 2HB TRP 27 2HB TRP 27 7.284 -12.347 5.789 157 HD1 TRP 27 HD1 TRP 27 7.740 -15.492 8.076 158 HE1 TRP 27 HE1 TRP 27 10.057 -16.656 7.587 159 HE3 TRP 27 HE3 TRP 27 9.095 -12.390 4.281 160 HZ2 TRP 27 HZ2 TRP 27 12.149 -16.162 5.711 161 HZ3 TRP 27 HZ3 TRP 27 11.291 -12.800 3.174 162 HH2 TRP 27 HH2 TRP 27 12.797 -14.609 3.832 163 H GLY 28 H GLY 28 4.047 -12.289 7.467 164 1HA GLY 28 1HA GLY 28 3.181 -14.832 8.496 165 2HA GLY 28 2HA GLY 28 2.883 -13.505 9.602 166 H ASP 29 H ASP 29 0.952 -15.204 8.045 167 HA ASP 29 HA ASP 29 -0.096 -13.299 6.153 168 2HB ASP 29 2HB ASP 29 -0.307 -15.452 5.265 169 HD2 ASP 29 HD2 ASP 29 -0.432 -18.483 6.943 170 H TYR 30 H TYR 30 -0.405 -14.344 9.468 171 HA TYR 30 HA TYR 30 -3.169 -13.747 9.811 172 2HB TYR 30 2HB TYR 30 -0.740 -13.914 11.703 173 HD1 TYR 30 HD1 TYR 30 -1.067 -13.807 14.026 174 HD2 TYR 30 HD2 TYR 30 -4.462 -14.159 11.447 175 HE1 TYR 30 HE1 TYR 30 -2.619 -13.436 16.006 176 HE2 TYR 30 HE2 TYR 30 -6.002 -13.787 13.436 177 HH TYR 30 HH TYR 30 -6.027 -13.941 15.744 178 H HIS 31 H HIS 31 -0.625 -11.742 9.025 179 HA HIS 31 HA HIS 31 -1.693 -9.575 10.684 180 2HB HIS 31 2HB HIS 31 0.388 -8.627 10.814 181 HD1 HIS 31 HD1 HIS 31 0.113 -10.567 12.813 182 HD2 HIS 31 HD2 HIS 31 2.617 -11.423 9.558 183 HE1 HIS 31 HE1 HIS 31 1.645 -12.463 13.568 184 H ALA 32 H ALA 32 -1.127 -7.329 9.384 185 HA ALA 32 HA ALA 32 -2.098 -7.735 6.641 186 1HB ALA 32 1HB ALA 32 -3.117 -5.278 7.502 187 2HB ALA 32 2HB ALA 32 -4.032 -6.792 7.312 188 3HB ALA 32 3HB ALA 32 -3.353 -6.357 8.898 189 H ASP 33 H ASP 33 -1.777 -5.556 5.358 190 HA ASP 33 HA ASP 33 0.852 -4.563 6.135 191 2HB ASP 33 2HB ASP 33 0.540 -5.975 3.957 192 HD2 ASP 33 HD2 ASP 33 0.220 -4.776 1.165 193 H PHE 34 H PHE 34 1.253 -2.231 5.534 194 HA PHE 34 HA PHE 34 -1.272 -0.741 5.397 195 2HB PHE 34 2HB PHE 34 0.434 1.054 6.417 196 HD1 PHE 34 HD1 PHE 34 -0.406 1.778 8.440 197 HD2 PHE 34 HD2 PHE 34 -0.394 -2.385 7.616 198 HE1 PHE 34 HE1 PHE 34 -1.639 1.350 10.585 199 HE2 PHE 34 HE2 PHE 34 -1.627 -2.813 9.760 200 HZ PHE 34 HZ PHE 34 -2.234 -0.941 11.219 201 H LEU 35 H LEU 35 -0.792 1.646 4.551 202 HA LEU 35 HA LEU 35 -0.158 1.438 1.881 203 2HB LEU 35 2HB LEU 35 0.095 3.995 2.106 204 HG LEU 35 HG LEU 35 -2.470 3.864 3.228 205 1HD1 LEU 35 1HD1 LEU 35 -2.678 5.126 1.414 206 2HD1 LEU 35 2HD1 LEU 35 -1.200 4.442 0.696 207 3HD1 LEU 35 3HD1 LEU 35 -2.765 3.632 0.451 208 1HD2 LEU 35 1HD2 LEU 35 -3.578 2.009 2.179 209 2HD2 LEU 35 2HD2 LEU 35 -2.065 1.475 1.410 210 3HD2 LEU 35 3HD2 LEU 35 -2.244 1.383 3.178 211 H GLY 36 H GLY 36 1.902 2.350 4.692 212 1HA GLY 36 1HA GLY 36 4.168 3.160 3.296 213 2HA GLY 36 2HA GLY 36 4.134 2.480 4.910 214 H GLU 37 H GLU 37 2.648 0.051 3.385 215 HA GLU 37 HA GLU 37 3.197 -1.865 2.517 216 2HB GLU 37 2HB GLU 37 5.707 -0.448 1.519 217 2HG GLU 37 2HG GLU 37 4.651 -2.815 0.068 218 HE2 GLU 37 HE2 GLU 37 7.310 -2.728 2.031 219 H ASP 38 H ASP 38 3.452 -1.879 5.128 220 HA ASP 38 HA ASP 38 5.819 -3.461 5.531 221 2HB ASP 38 2HB ASP 38 6.785 -1.525 6.415 222 HD2 ASP 38 HD2 ASP 38 4.405 0.698 5.762 223 H LEU 39 H LEU 39 5.616 -4.172 8.143 224 HA LEU 39 HA LEU 39 2.772 -4.646 8.665 225 2HB LEU 39 2HB LEU 39 4.794 -6.795 9.163 226 HG LEU 39 HG LEU 39 1.907 -6.601 9.244 227 1HD1 LEU 39 1HD1 LEU 39 2.487 -9.124 7.883 228 2HD1 LEU 39 2HD1 LEU 39 1.154 -7.968 7.650 229 3HD1 LEU 39 3HD1 LEU 39 2.718 -7.697 6.845 230 1HD2 LEU 39 1HD2 LEU 39 4.054 -8.063 10.450 231 2HD2 LEU 39 2HD2 LEU 39 2.369 -7.880 10.994 232 3HD2 LEU 39 3HD2 LEU 39 2.809 -9.209 9.895 233 H PHE 40 H PHE 40 2.248 -3.807 10.605 234 HA PHE 40 HA PHE 40 4.424 -3.501 12.538 235 2HB PHE 40 2HB PHE 40 2.725 -1.648 11.507 236 HD1 PHE 40 HD1 PHE 40 0.534 -3.095 11.157 237 HD2 PHE 40 HD2 PHE 40 1.682 -1.313 14.834 238 HE1 PHE 40 HE1 PHE 40 -1.848 -3.178 11.941 239 HE2 PHE 40 HE2 PHE 40 -0.701 -1.396 15.618 240 HZ PHE 40 HZ PHE 40 -2.438 -2.328 14.162 241 H PHE 41 H PHE 41 2.752 -6.010 11.941 242 HA PHE 41 HA PHE 41 1.469 -6.246 14.567 243 2HB PHE 41 2HB PHE 41 1.033 -8.448 12.683 244 HD1 PHE 41 HD1 PHE 41 -0.610 -9.301 14.133 245 HD2 PHE 41 HD2 PHE 41 -0.890 -5.281 12.803 246 HE1 PHE 41 HE1 PHE 41 -2.917 -9.140 15.106 247 HE2 PHE 41 HE2 PHE 41 -3.199 -5.120 13.776 248 HZ PHE 41 HZ PHE 41 -4.185 -7.052 14.916 249 H CYS 42 H CYS 42 4.386 -6.828 13.085 250 HA CYS 42 HA CYS 42 4.708 -9.451 14.320 251 2HB CYS 42 2HB CYS 42 5.497 -9.634 12.144 252 HG CYS 42 HG CYS 42 7.543 -7.153 12.199 253 H CYS 43 H CYS 43 6.369 -6.229 13.953 254 HA CYS 43 HA CYS 43 7.585 -6.718 16.571 255 2HB CYS 43 2HB CYS 43 9.405 -6.404 15.197 256 HG CYS 43 HG CYS 43 8.837 -3.794 13.603 257 H ASP 44 H ASP 44 6.387 -4.028 14.417 258 HA ASP 44 HA ASP 44 5.137 -2.299 14.814 259 2HB ASP 44 2HB ASP 44 3.876 -4.142 16.296 260 HD2 ASP 44 HD2 ASP 44 2.690 -2.465 18.683 261 H ILE 45 H ILE 45 7.994 -2.865 16.065 262 HA ILE 45 HA ILE 45 7.966 -0.740 18.080 263 HB ILE 45 HB ILE 45 9.440 -3.236 17.722 264 2HG1 ILE 45 2HG1 ILE 45 9.528 -3.184 20.108 265 1HG2 ILE 45 1HG2 ILE 45 10.941 -0.674 18.250 266 2HG2 ILE 45 2HG2 ILE 45 11.504 -2.245 18.870 267 3HG2 ILE 45 3HG2 ILE 45 11.329 -1.990 17.117 268 1HD1 ILE 45 1HD1 ILE 45 8.397 -0.365 20.095 269 2HD1 ILE 45 2HD1 ILE 45 9.103 -1.272 21.455 270 3HD1 ILE 45 3HD1 ILE 45 10.151 -0.658 20.156 271 H CYS 46 H CYS 46 10.100 -1.951 15.392 272 HA CYS 46 HA CYS 46 11.073 0.740 15.048 273 2HB CYS 46 2HB CYS 46 12.587 -1.263 14.973 274 HG CYS 46 HG CYS 46 10.994 -3.009 13.902 275 H ALA 47 H ALA 47 8.541 -1.334 13.910 276 HA ALA 47 HA ALA 47 8.316 0.138 11.392 277 1HB ALA 47 1HB ALA 47 6.314 -1.787 11.468 278 2HB ALA 47 2HB ALA 47 7.905 -1.969 10.691 279 3HB ALA 47 3HB ALA 47 7.651 -2.560 12.350 280 H ALA 48 H ALA 48 5.898 0.623 10.788 281 HA ALA 48 HA ALA 48 3.931 1.563 11.261 282 1HB ALA 48 1HB ALA 48 2.882 0.791 13.094 283 2HB ALA 48 2HB ALA 48 4.422 0.049 13.589 284 3HB ALA 48 3HB ALA 48 3.991 1.676 14.168 285 H GLU 49 H GLU 49 5.596 3.262 10.376 286 HA GLU 49 HA GLU 49 6.376 5.177 12.352 287 2HB GLU 49 2HB GLU 49 7.172 6.440 10.240 288 2HG GLU 49 2HG GLU 49 8.649 4.970 11.662 289 HE2 GLU 49 HE2 GLU 49 8.125 3.393 8.731 290 H PHE 50 H PHE 50 5.586 7.360 12.509 291 HA PHE 50 HA PHE 50 2.810 7.572 11.914 292 2HB PHE 50 2HB PHE 50 3.695 8.553 13.961 293 HD1 PHE 50 HD1 PHE 50 5.701 8.678 15.073 294 HD2 PHE 50 HD2 PHE 50 5.366 10.568 11.288 295 HE1 PHE 50 HE1 PHE 50 8.056 9.521 15.286 296 HE2 PHE 50 HE2 PHE 50 7.721 11.410 11.501 297 HZ PHE 50 HZ PHE 50 9.038 10.877 13.496 298 H MET 51 H MET 51 5.410 7.804 9.892 299 HA MET 51 HA MET 51 4.886 10.283 8.660 300 2HB MET 51 2HB MET 51 7.067 8.938 8.587 301 2HG MET 51 2HG MET 51 5.554 7.310 6.488 302 1HE MET 51 1HE MET 51 6.918 7.161 4.601 303 2HE MET 51 2HE MET 51 7.857 8.599 5.070 304 3HE MET 51 3HE MET 51 8.696 7.126 4.527 305 H ASN 52 H ASN 52 2.967 7.581 8.859 306 HA ASN 52 HA ASN 52 2.031 7.876 6.118 307 2HB ASN 52 2HB ASN 52 0.656 5.708 6.980 308 1HD2 ASN 52 1HD2 ASN 52 4.201 6.053 7.093 309 2HD2 ASN 52 2HD2 ASN 52 4.554 5.159 5.652 310 H MET 53 H MET 53 -0.526 7.510 6.010 311 HA MET 53 HA MET 53 -1.641 9.326 7.947 312 2HB MET 53 2HB MET 53 -3.374 8.120 5.820 313 2HG MET 53 2HG MET 53 -2.848 10.780 7.081 314 1HE MET 53 1HE MET 53 -3.335 13.541 5.113 315 2HE MET 53 2HE MET 53 -4.980 12.889 4.925 316 3HE MET 53 3HE MET 53 -4.107 12.673 6.461 317 H MET 54 H MET 54 -3.831 8.858 8.924 318 HA MET 54 HA MET 54 -3.741 6.402 10.231 319 2HB MET 54 2HB MET 54 -6.027 7.158 11.084 320 2HG MET 54 2HG MET 54 -3.561 8.293 11.612 321 1HE MET 54 1HE MET 54 -2.554 11.464 11.736 322 2HE MET 54 2HE MET 54 -2.238 9.755 11.350 323 3HE MET 54 3HE MET 54 -2.345 10.957 10.042 324 H ASP 55 H ASP 55 -6.004 7.689 7.692 325 HA ASP 55 HA ASP 55 -7.684 5.628 7.482 326 2HB ASP 55 2HB ASP 55 -6.926 6.371 4.793 327 HD2 ASP 55 HD2 ASP 55 -10.360 6.086 5.282 328 H GLU 56 H GLU 56 -4.297 5.885 6.327 329 HA GLU 56 HA GLU 56 -4.165 3.858 4.555 330 2HB GLU 56 2HB GLU 56 -1.782 3.732 5.081 331 2HG GLU 56 2HG GLU 56 -2.153 6.565 5.866 332 HE2 GLU 56 HE2 GLU 56 0.376 5.075 5.107 333 H ALA 57 H ALA 57 -4.061 3.666 8.159 334 HA ALA 57 HA ALA 57 -3.533 0.908 8.270 335 1HB ALA 57 1HB ALA 57 -5.123 2.208 10.434 336 2HB ALA 57 2HB ALA 57 -3.632 1.243 10.532 337 3HB ALA 57 3HB ALA 57 -3.554 2.953 10.048 338 H PHE 58 H PHE 58 -6.573 2.864 8.257 339 HA PHE 58 HA PHE 58 -8.412 0.978 8.811 340 2HB PHE 58 2HB PHE 58 -9.080 2.556 6.394 341 HD1 PHE 58 HD1 PHE 58 -10.541 0.795 8.400 342 HD2 PHE 58 HD2 PHE 58 -9.939 4.992 8.222 343 HE1 PHE 58 HE1 PHE 58 -12.660 1.155 9.697 344 HE2 PHE 58 HE2 PHE 58 -12.058 5.352 9.518 345 HZ PHE 58 HZ PHE 58 -13.393 3.428 10.241 346 H LYS 59 H LYS 59 -6.517 1.334 5.794 347 HA LYS 59 HA LYS 59 -7.949 -0.154 4.046 348 2HB LYS 59 2HB LYS 59 -4.960 0.006 4.487 349 2HG LYS 59 2HG LYS 59 -6.569 -1.227 2.205 350 2HD LYS 59 2HD LYS 59 -3.939 -1.542 1.505 351 2HE LYS 59 2HE LYS 59 -5.752 -0.730 0.008 352 1HZ LYS 59 1HZ LYS 59 -5.312 1.899 1.322 353 2HZ LYS 59 2HZ LYS 59 -6.318 1.620 0.072 354 H HIS 60 H HIS 60 -5.752 -1.366 6.651 355 HA HIS 60 HA HIS 60 -5.841 -4.020 6.065 356 2HB HIS 60 2HB HIS 60 -4.817 -2.473 8.069 357 HD1 HIS 60 HD1 HIS 60 -6.599 -5.563 9.407 358 HD2 HIS 60 HD2 HIS 60 -6.307 -1.449 10.171 359 HE1 HIS 60 HE1 HIS 60 -7.812 -5.159 11.615 360 H THR 61 H THR 61 -8.199 -2.096 8.032 361 HA THR 61 HA THR 61 -9.884 -4.296 8.568 362 HB THR 61 HB THR 61 -10.183 -1.255 8.622 363 HG1 THR 61 HG1 THR 61 -8.859 -2.870 10.107 364 1HG2 THR 61 1HG2 THR 61 -12.274 -1.513 9.791 365 2HG2 THR 61 2HG2 THR 61 -12.439 -2.528 8.337 366 3HG2 THR 61 3HG2 THR 61 -12.072 -3.278 9.909 367 H ALA 62 H ALA 62 -9.635 -2.000 5.851 368 HA ALA 62 HA ALA 62 -12.136 -2.573 4.728 369 1HB ALA 62 1HB ALA 62 -9.518 -1.417 3.789 370 2HB ALA 62 2HB ALA 62 -10.773 -1.813 2.590 371 3HB ALA 62 3HB ALA 62 -11.122 -0.654 3.894 372 H ARG 63 H ARG 63 -8.824 -3.851 3.927 373 HA ARG 63 HA ARG 63 -9.952 -5.806 2.235 374 2HB ARG 63 2HB ARG 63 -7.708 -4.956 1.767 375 2HG ARG 63 2HG ARG 63 -7.390 -5.154 4.607 376 2HD ARG 63 2HD ARG 63 -4.858 -6.203 3.969 377 HE ARG 63 HE ARG 63 -6.720 -6.678 5.913 378 1HH1 ARG 63 1HH1 ARG 63 -4.989 -8.885 3.748 379 2HH1 ARG 63 2HH1 ARG 63 -5.024 -10.208 4.865 380 2HH2 ARG 63 2HH2 ARG 63 -6.074 -9.912 7.000 381 H HIS 64 H HIS 64 -10.379 -5.573 5.402 382 HA HIS 64 HA HIS 64 -9.374 -8.074 6.328 383 2HB HIS 64 2HB HIS 64 -11.471 -6.298 7.599 384 HD1 HIS 64 HD1 HIS 64 -11.771 -9.233 8.179 385 HD2 HIS 64 HD2 HIS 64 -8.996 -6.822 10.198 386 HE1 HIS 64 HE1 HIS 64 -11.263 -10.419 10.381 387 H ASN 65 H ASN 65 -12.756 -6.790 5.908 388 HA ASN 65 HA ASN 65 -13.514 -9.550 5.361 389 2HB ASN 65 2HB ASN 65 -15.650 -9.105 6.349 390 1HD2 ASN 65 1HD2 ASN 65 -14.594 -6.183 7.734 391 2HD2 ASN 65 2HD2 ASN 65 -13.936 -6.789 9.217 392 H VAL 66 H VAL 66 -14.261 -6.054 4.664 393 HA VAL 66 HA VAL 66 -15.482 -6.845 2.138 394 HB VAL 66 HB VAL 66 -15.291 -4.026 3.104 395 1HG1 VAL 66 1HG1 VAL 66 -16.858 -3.682 1.550 396 2HG1 VAL 66 2HG1 VAL 66 -16.614 -5.365 1.025 397 3HG1 VAL 66 3HG1 VAL 66 -17.884 -4.977 2.210 398 1HG2 VAL 66 1HG2 VAL 66 -17.643 -4.845 4.244 399 2HG2 VAL 66 2HG2 VAL 66 -16.581 -6.233 4.576 400 3HG2 VAL 66 3HG2 VAL 66 -16.113 -4.605 5.121 401 H ASP 67 H ASP 67 -14.830 -4.172 0.947 402 HA ASP 67 HA ASP 67 -11.965 -4.473 0.620 403 2HB ASP 67 2HB ASP 67 -12.723 -3.847 -1.942 404 HD2 ASP 67 HD2 ASP 67 -13.595 -6.604 -2.704 405 H GLU 68 H GLU 68 -10.956 -2.424 0.486 406 HA GLU 68 HA GLU 68 -12.591 -0.182 -0.298 407 2HB GLU 68 2HB GLU 68 -10.958 0.288 2.162 408 2HG GLU 68 2HG GLU 68 -13.495 1.297 2.557 409 HE2 GLU 68 HE2 GLU 68 -11.992 4.263 0.954 410 H LEU 69 H LEU 69 -11.385 1.493 -1.279 411 HA LEU 69 HA LEU 69 -8.478 1.179 -1.215 412 2HB LEU 69 2HB LEU 69 -8.271 1.301 -3.562 413 HG LEU 69 HG LEU 69 -9.340 -0.636 -4.456 414 1HD1 LEU 69 1HD1 LEU 69 -7.967 -1.841 -3.202 415 2HD1 LEU 69 2HD1 LEU 69 -8.054 -0.644 -1.888 416 3HD1 LEU 69 3HD1 LEU 69 -9.242 -1.967 -1.967 417 1HD2 LEU 69 1HD2 LEU 69 -11.401 -1.363 -3.976 418 2HD2 LEU 69 2HD2 LEU 69 -11.148 -1.227 -2.220 419 3HD2 LEU 69 3HD2 LEU 69 -11.607 0.209 -3.166 420 H HIS 70 H HIS 70 -7.390 3.098 -1.018 421 HA HIS 70 HA HIS 70 -8.808 5.528 -1.703 422 2HB HIS 70 2HB HIS 70 -7.521 5.756 0.917 423 HD1 HIS 70 HD1 HIS 70 -8.858 7.742 -1.231 424 HD2 HIS 70 HD2 HIS 70 -10.656 6.250 2.253 425 HE1 HIS 70 HE1 HIS 70 -10.705 9.391 -0.617 426 H ILE 71 H ILE 71 -7.417 7.196 -2.348 427 HA ILE 71 HA ILE 71 -4.560 6.679 -2.008 428 HB ILE 71 HB ILE 71 -4.064 6.647 -4.198 429 2HG1 ILE 71 2HG1 ILE 71 -4.861 8.900 -4.671 430 1HG2 ILE 71 1HG2 ILE 71 -6.924 5.670 -4.123 431 2HG2 ILE 71 2HG2 ILE 71 -5.858 5.475 -5.535 432 3HG2 ILE 71 3HG2 ILE 71 -5.426 4.719 -3.983 433 1HD1 ILE 71 1HD1 ILE 71 -6.128 7.105 -6.765 434 2HD1 ILE 71 2HD1 ILE 71 -5.235 8.628 -6.996 435 3HD1 ILE 71 3HD1 ILE 71 -4.362 7.145 -6.542 436 H ASP 72 H ASP 72 -3.441 8.468 -1.377 437 HA ASP 72 HA ASP 72 -4.629 11.033 -1.968 438 2HB ASP 72 2HB ASP 72 -3.528 10.784 0.792 439 HD2 ASP 72 HD2 ASP 72 -4.955 13.473 1.526 440 H GLY 73 H GLY 73 -2.989 12.666 -2.210 441 1HA GLY 73 1HA GLY 73 -0.226 11.861 -1.553 442 2HA GLY 73 2HA GLY 73 -0.641 12.431 -3.158 443 H ASN 74 H ASN 74 0.890 13.458 -0.512 444 HA ASN 74 HA ASN 74 0.054 16.182 -0.989 445 2HB ASN 74 2HB ASN 74 0.506 16.337 1.707 446 1HD2 ASN 74 1HD2 ASN 74 -1.647 16.135 3.035 447 2HD2 ASN 74 2HD2 ASN 74 -3.066 16.722 2.233 448 H TYR 75 H TYR 75 1.896 17.529 -1.089 449 HA TYR 75 HA TYR 75 4.451 16.287 -0.913 450 2HB TYR 75 2HB TYR 75 3.994 18.041 -2.564 451 HD1 TYR 75 HD1 TYR 75 1.766 18.867 -2.875 452 HD2 TYR 75 HD2 TYR 75 4.176 20.347 0.335 453 HE1 TYR 75 HE1 TYR 75 0.096 20.741 -2.476 454 HE2 TYR 75 HE2 TYR 75 2.498 22.216 0.723 455 HH TYR 75 HH TYR 75 -0.184 22.369 0.180 456 H GLN 76 H GLN 76 2.375 17.379 1.488 457 HA GLN 76 HA GLN 76 4.607 18.320 3.107 458 2HB GLN 76 2HB GLN 76 1.809 18.617 4.115 459 2HG GLN 76 2HG GLN 76 4.125 19.566 5.026 460 1HE2 GLN 76 1HE2 GLN 76 5.664 21.034 4.762 461 2HE2 GLN 76 2HE2 GLN 76 5.776 22.179 3.467 462 H LEU 77 H LEU 77 2.827 15.566 2.394 463 HA LEU 77 HA LEU 77 2.076 14.499 4.804 464 2HB LEU 77 2HB LEU 77 3.382 12.807 2.708 465 HG LEU 77 HG LEU 77 1.788 11.214 3.147 466 1HD1 LEU 77 1HD1 LEU 77 2.235 12.688 5.748 467 2HD1 LEU 77 2HD1 LEU 77 1.437 11.100 5.649 468 3HD1 LEU 77 3HD1 LEU 77 3.121 11.286 5.103 469 1HD2 LEU 77 1HD2 LEU 77 -0.256 12.197 2.762 470 2HD2 LEU 77 2HD2 LEU 77 -0.352 11.873 4.510 471 3HD2 LEU 77 3HD2 LEU 77 0.028 13.512 3.929 472 H GLY 78 H GLY 78 5.245 13.854 3.134 473 1HA GLY 78 1HA GLY 78 6.946 14.453 5.180 474 2HA GLY 78 2HA GLY 78 6.395 12.833 5.557 475 H ARG 79 H ARG 79 6.712 14.162 2.233 476 HA ARG 79 HA ARG 79 7.784 13.407 0.505 477 2HB ARG 79 2HB ARG 79 10.387 12.847 1.203 478 2HG ARG 79 2HG ARG 79 10.826 15.284 0.951 479 2HD ARG 79 2HD ARG 79 8.618 15.140 -0.977 480 HE ARG 79 HE ARG 79 10.542 16.211 -1.835 481 1HH1 ARG 79 1HH1 ARG 79 11.362 12.935 -0.761 482 2HH1 ARG 79 2HH1 ARG 79 12.926 12.949 -1.505 483 2HH2 ARG 79 2HH2 ARG 79 13.636 14.896 -2.708 484 H ASN 80 H ASN 80 6.255 11.361 1.340 485 HA ASN 80 HA ASN 80 8.069 9.078 1.309 486 2HB ASN 80 2HB ASN 80 6.839 9.188 3.454 487 1HD2 ASN 80 1HD2 ASN 80 4.199 7.614 2.078 488 2HD2 ASN 80 2HD2 ASN 80 2.971 8.810 2.323 489 H VAL 81 H VAL 81 7.870 7.925 -0.618 490 HA VAL 81 HA VAL 81 5.277 8.088 -1.994 491 HB VAL 81 HB VAL 81 8.092 8.152 -3.078 492 1HG1 VAL 81 1HG1 VAL 81 6.598 8.340 -5.313 493 2HG1 VAL 81 2HG1 VAL 81 7.254 6.801 -4.706 494 3HG1 VAL 81 3HG1 VAL 81 5.565 7.244 -4.363 495 1HG2 VAL 81 1HG2 VAL 81 7.703 10.356 -2.979 496 2HG2 VAL 81 2HG2 VAL 81 6.559 10.107 -4.319 497 3HG2 VAL 81 3HG2 VAL 81 5.973 10.119 -2.638 498 H LEU 82 H LEU 82 4.261 6.165 -1.734 499 HA LEU 82 HA LEU 82 5.932 3.767 -2.027 500 2HB LEU 82 2HB LEU 82 4.611 2.644 -0.380 501 HG LEU 82 HG LEU 82 5.104 3.766 1.666 502 1HD1 LEU 82 1HD1 LEU 82 7.132 4.092 -0.521 503 2HD1 LEU 82 2HD1 LEU 82 7.489 4.676 1.122 504 3HD1 LEU 82 3HD1 LEU 82 7.105 2.959 0.851 505 1HD2 LEU 82 1HD2 LEU 82 5.363 6.035 1.997 506 2HD2 LEU 82 2HD2 LEU 82 5.785 6.349 0.296 507 3HD2 LEU 82 3HD2 LEU 82 4.100 5.992 0.744 508 H LEU 83 H LEU 83 5.414 2.618 -3.803 509 HA LEU 83 HA LEU 83 2.673 2.942 -4.814 510 2HB LEU 83 2HB LEU 83 4.734 2.040 -6.699 511 HG LEU 83 HG LEU 83 2.759 2.648 -7.768 512 1HD1 LEU 83 1HD1 LEU 83 1.401 3.616 -6.168 513 2HD1 LEU 83 2HD1 LEU 83 2.602 4.858 -5.740 514 3HD1 LEU 83 3HD1 LEU 83 1.706 4.978 -7.273 515 1HD2 LEU 83 1HD2 LEU 83 4.838 3.734 -8.695 516 2HD2 LEU 83 2HD2 LEU 83 3.297 4.493 -9.160 517 3HD2 LEU 83 3HD2 LEU 83 4.313 5.239 -7.903 518 H LYS 84 H LYS 84 1.442 1.173 -4.506 519 HA LYS 84 HA LYS 84 2.812 -1.420 -4.644 520 2HB LYS 84 2HB LYS 84 0.582 -1.730 -2.961 521 2HG LYS 84 2HG LYS 84 3.215 -1.318 -1.653 522 2HD LYS 84 2HD LYS 84 1.138 -2.716 -0.890 523 2HE LYS 84 2HE LYS 84 2.499 -4.866 -2.553 524 1HZ LYS 84 1HZ LYS 84 0.038 -4.621 -0.958 525 2HZ LYS 84 2HZ LYS 84 0.065 -5.686 -2.190 526 H ASN 85 H ASN 85 2.087 -2.628 -6.304 527 HA ASN 85 HA ASN 85 -0.595 -1.995 -7.255 528 2HB ASN 85 2HB ASN 85 0.131 -2.629 -9.482 529 1HD2 ASN 85 1HD2 ASN 85 2.156 -1.808 -10.763 530 2HD2 ASN 85 2HD2 ASN 85 2.760 -0.258 -10.280 531 H GLY 86 H GLY 86 -2.072 -3.657 -6.887 532 1HA GLY 86 1HA GLY 86 -0.989 -6.383 -6.509 533 2HA GLY 86 2HA GLY 86 -2.382 -5.731 -5.670 534 H GLU 87 H GLU 87 -1.457 -7.740 -8.176 535 HA GLU 87 HA GLU 87 -4.009 -7.284 -9.512 536 2HB GLU 87 2HB GLU 87 -1.276 -7.833 -10.684 537 2HG GLU 87 2HG GLU 87 -2.497 -9.592 -11.741 538 HE2 GLU 87 HE2 GLU 87 -5.958 -7.544 -11.954 539 H ASP 88 H ASP 88 -5.382 -8.995 -9.283 540 HA ASP 88 HA ASP 88 -4.131 -11.607 -8.981 541 2HB ASP 88 2HB ASP 88 -6.321 -10.288 -7.362 542 HD2 ASP 88 HD2 ASP 88 -5.438 -13.940 -7.482 543 H ARG 89 H ARG 89 -4.794 -12.845 -10.742 544 HA ARG 89 HA ARG 89 -7.574 -12.737 -11.454 545 2HB ARG 89 2HB ARG 89 -6.513 -11.048 -12.953 546 2HG ARG 89 2HG ARG 89 -4.330 -12.804 -12.947 547 2HD ARG 89 2HD ARG 89 -5.930 -13.048 -15.508 548 HE ARG 89 HE ARG 89 -3.202 -12.279 -15.528 549 1HH1 ARG 89 1HH1 ARG 89 -5.192 -14.920 -16.800 550 2HH1 ARG 89 2HH1 ARG 89 -4.155 -15.214 -18.157 551 2HH2 ARG 89 2HH2 ARG 89 -2.186 -13.877 -18.441 552 H LEU 90 H LEU 90 -8.221 -14.648 -12.783 553 HA LEU 90 HA LEU 90 -6.160 -16.728 -12.872 554 2HB LEU 90 2HB LEU 90 -7.121 -17.750 -11.170 555 HG LEU 90 HG LEU 90 -9.154 -15.620 -11.378 556 1HD1 LEU 90 1HD1 LEU 90 -10.933 -16.976 -11.297 557 2HD1 LEU 90 2HD1 LEU 90 -9.956 -18.402 -10.871 558 3HD1 LEU 90 3HD1 LEU 90 -10.453 -17.252 -9.606 559 1HD2 LEU 90 1HD2 LEU 90 -8.828 -15.460 -9.017 560 2HD2 LEU 90 2HD2 LEU 90 -8.022 -17.046 -8.960 561 3HD2 LEU 90 3HD2 LEU 90 -7.231 -15.675 -9.775 562 H ARG 91 H ARG 91 -7.168 -18.707 -14.195 563 HA ARG 91 HA ARG 91 -7.611 -17.677 -16.726 564 2HB ARG 91 2HB ARG 91 -8.122 -20.129 -17.298 565 2HG ARG 91 2HG ARG 91 -5.786 -20.828 -16.008 566 2HD ARG 91 2HD ARG 91 -4.618 -19.828 -18.029 567 HE ARG 91 HE ARG 91 -7.055 -21.154 -19.057 568 1HH1 ARG 91 1HH1 ARG 91 -3.834 -21.551 -17.637 569 2HH1 ARG 91 2HH1 ARG 91 -3.676 -23.199 -18.148 570 2HH2 ARG 91 2HH2 ARG 91 -5.461 -24.223 -19.377 571 H PHE 92 H PHE 92 -9.770 -18.735 -14.105 572 HA PHE 92 HA PHE 92 -12.079 -19.125 -15.638 573 2HB PHE 92 2HB PHE 92 -11.876 -18.020 -12.784 574 HD1 PHE 92 HD1 PHE 92 -14.276 -17.311 -13.495 575 HD2 PHE 92 HD2 PHE 92 -13.035 -21.348 -13.084 576 HE1 PHE 92 HE1 PHE 92 -16.670 -18.021 -13.245 577 HE2 PHE 92 HE2 PHE 92 -15.428 -22.059 -12.834 578 HZ PHE 92 HZ PHE 92 -17.218 -20.388 -12.918 579 H TYR 93 H TYR 93 -10.359 -16.236 -14.647 580 HA TYR 93 HA TYR 93 -12.694 -14.546 -14.910 581 2HB TYR 93 2HB TYR 93 -9.989 -13.328 -14.911 582 HD1 TYR 93 HD1 TYR 93 -12.119 -14.390 -12.024 583 HD2 TYR 93 HD2 TYR 93 -10.805 -11.165 -14.509 584 HE1 TYR 93 HE1 TYR 93 -13.287 -12.726 -10.497 585 HE2 TYR 93 HE2 TYR 93 -11.978 -9.513 -12.974 586 HH TYR 93 HH TYR 93 -13.607 -10.634 -10.028 587 H VAL 94 H VAL 94 -13.149 -13.158 -16.620 588 HA VAL 94 HA VAL 94 -11.581 -13.678 -19.033 589 HB VAL 94 HB VAL 94 -14.338 -12.493 -18.651 590 1HG1 VAL 94 1HG1 VAL 94 -13.986 -13.472 -21.281 591 2HG1 VAL 94 2HG1 VAL 94 -14.172 -11.781 -20.757 592 3HG1 VAL 94 3HG1 VAL 94 -12.547 -12.492 -20.912 593 1HG2 VAL 94 1HG2 VAL 94 -15.268 -14.565 -19.134 594 2HG2 VAL 94 2HG2 VAL 94 -13.778 -15.176 -19.893 595 3HG2 VAL 94 3HG2 VAL 94 -13.873 -15.012 -18.123 596 H LYS 95 H LYS 95 -11.638 -11.546 -16.476 597 HA LYS 95 HA LYS 95 -11.313 -9.148 -18.069 598 2HB LYS 95 2HB LYS 95 -10.679 -8.686 -15.342 599 2HG LYS 95 2HG LYS 95 -12.764 -7.987 -17.347 600 2HD LYS 95 2HD LYS 95 -13.389 -7.282 -14.480 601 2HE LYS 95 2HE LYS 95 -15.093 -7.738 -16.977 602 1HZ LYS 95 1HZ LYS 95 -16.084 -6.264 -14.676 603 2HZ LYS 95 2HZ LYS 95 -16.880 -7.289 -15.660 604 H PHE 96 H PHE 96 -9.376 -11.271 -15.864 605 HA PHE 96 HA PHE 96 -7.181 -11.310 -15.475 606 2HB PHE 96 2HB PHE 96 -7.511 -12.599 -17.609 607 HD1 PHE 96 HD1 PHE 96 -5.415 -10.087 -19.175 608 HD2 PHE 96 HD2 PHE 96 -9.335 -11.703 -19.016 609 HE1 PHE 96 HE1 PHE 96 -5.960 -8.978 -21.360 610 HE2 PHE 96 HE2 PHE 96 -9.881 -10.596 -21.202 611 HZ PHE 96 HZ PHE 96 -8.187 -9.245 -22.348 612 H GLY 97 H GLY 97 -8.142 -8.630 -15.228 613 1HA GLY 97 1HA GLY 97 -6.743 -6.729 -16.719 614 2HA GLY 97 2HA GLY 97 -7.389 -6.517 -15.104 615 HA PRO 98 HA PRO 98 -2.717 -7.011 -15.119 616 2HB PRO 98 2HB PRO 98 -1.845 -5.884 -16.928 617 2HG PRO 98 2HG PRO 98 -3.369 -4.593 -18.083 618 2HD PRO 98 2HD PRO 98 -5.323 -5.668 -17.521 619 H GLY 99 H GLY 99 -5.105 -5.508 -13.632 620 1HA GLY 99 1HA GLY 99 -5.263 -4.198 -11.762 621 2HA GLY 99 2HA GLY 99 -4.270 -5.497 -11.135 622 H ALA 100 H ALA 100 -3.827 -2.510 -13.174 623 HA ALA 100 HA ALA 100 -1.242 -2.112 -11.900 624 1HB ALA 100 1HB ALA 100 -2.405 -0.286 -13.987 625 2HB ALA 100 2HB ALA 100 -0.721 -0.810 -13.746 626 3HB ALA 100 3HB ALA 100 -1.906 -1.926 -14.466 627 H VAL 101 H VAL 101 -0.700 0.179 -11.177 628 HA VAL 101 HA VAL 101 -2.237 0.950 -9.091 629 HB VAL 101 HB VAL 101 -1.093 3.173 -9.352 630 1HG1 VAL 101 1HG1 VAL 101 -0.074 0.654 -8.669 631 2HG1 VAL 101 2HG1 VAL 101 1.177 1.390 -9.699 632 3HG1 VAL 101 3HG1 VAL 101 0.609 2.242 -8.242 633 1HG2 VAL 101 1HG2 VAL 101 0.823 3.000 -11.150 634 2HG2 VAL 101 2HG2 VAL 101 -0.327 1.914 -11.969 635 3HG2 VAL 101 3HG2 VAL 101 -0.793 3.592 -11.604 636 H ILE 102 H ILE 102 -2.605 1.819 -12.543 637 HA ILE 102 HA ILE 102 -4.284 3.944 -12.388 638 HB ILE 102 HB ILE 102 -3.925 1.678 -14.277 639 2HG1 ILE 102 2HG1 ILE 102 -2.633 3.978 -14.045 640 1HG2 ILE 102 1HG2 ILE 102 -6.181 3.680 -14.567 641 2HG2 ILE 102 2HG2 ILE 102 -5.687 2.451 -15.755 642 3HG2 ILE 102 3HG2 ILE 102 -6.374 1.951 -14.191 643 1HD1 ILE 102 1HD1 ILE 102 -3.513 3.130 -16.824 644 2HD1 ILE 102 2HD1 ILE 102 -1.917 3.710 -16.293 645 3HD1 ILE 102 3HD1 ILE 102 -2.471 2.083 -15.831 646 H LYS 103 H LYS 103 -5.208 0.439 -12.213 647 HA LYS 103 HA LYS 103 -7.893 0.692 -11.997 648 2HB LYS 103 2HB LYS 103 -7.321 -1.307 -10.179 649 2HG LYS 103 2HG LYS 103 -8.329 -1.056 -12.775 650 2HD LYS 103 2HD LYS 103 -5.703 -2.532 -12.776 651 2HE LYS 103 2HE LYS 103 -6.404 -4.064 -14.506 652 1HZ LYS 103 1HZ LYS 103 -7.346 -4.313 -11.998 653 2HZ LYS 103 2HZ LYS 103 -8.740 -4.424 -12.833 654 H GLU 104 H GLU 104 -5.405 1.450 -9.547 655 HA GLU 104 HA GLU 104 -6.858 1.551 -7.303 656 2HB GLU 104 2HB GLU 104 -4.371 2.196 -7.786 657 2HG GLU 104 2HG GLU 104 -5.395 5.023 -7.518 658 HE2 GLU 104 HE2 GLU 104 -2.321 4.704 -9.741 659 H PHE 105 H PHE 105 -6.954 3.830 -10.057 660 HA PHE 105 HA PHE 105 -8.180 5.989 -9.013 661 2HB PHE 105 2HB PHE 105 -7.563 5.060 -11.489 662 HD1 PHE 105 HD1 PHE 105 -8.213 3.308 -12.836 663 HD2 PHE 105 HD2 PHE 105 -11.215 5.613 -10.916 664 HE1 PHE 105 HE1 PHE 105 -9.986 1.996 -14.033 665 HE2 PHE 105 HE2 PHE 105 -12.988 4.300 -12.114 666 HZ PHE 105 HZ PHE 105 -12.352 2.508 -13.659 667 H LYS 106 H LYS 106 -9.615 2.766 -9.628 668 HA LYS 106 HA LYS 106 -12.283 3.431 -9.476 669 2HB LYS 106 2HB LYS 106 -12.587 1.064 -8.742 670 2HG LYS 106 2HG LYS 106 -10.963 1.948 -11.097 671 2HD LYS 106 2HD LYS 106 -10.426 -0.586 -9.872 672 2HE LYS 106 2HE LYS 106 -12.698 -0.977 -11.332 673 1HZ LYS 106 1HZ LYS 106 -12.260 -1.337 -13.526 674 2HZ LYS 106 2HZ LYS 106 -11.038 -0.283 -13.306 675 H ILE 107 H ILE 107 -9.798 3.650 -7.059 676 HA ILE 107 HA ILE 107 -10.921 3.127 -4.705 677 HB ILE 107 HB ILE 107 -9.753 5.231 -3.881 678 2HG1 ILE 107 2HG1 ILE 107 -9.850 5.860 -6.662 679 1HG2 ILE 107 1HG2 ILE 107 -8.749 2.752 -4.920 680 2HG2 ILE 107 2HG2 ILE 107 -7.551 4.040 -5.193 681 3HG2 ILE 107 3HG2 ILE 107 -8.161 3.727 -3.551 682 1HD1 ILE 107 1HD1 ILE 107 -9.093 7.087 -4.062 683 2HD1 ILE 107 2HD1 ILE 107 -8.277 7.786 -5.481 684 3HD1 ILE 107 3HD1 ILE 107 -10.055 7.759 -5.400 685 H THR 108 H THR 108 -11.768 5.887 -6.852 686 HA THR 108 HA THR 108 -14.247 6.156 -5.319 687 HB THR 108 HB THR 108 -13.909 8.680 -5.447 688 HG1 THR 108 HG1 THR 108 -12.276 8.971 -6.959 689 1HG2 THR 108 1HG2 THR 108 -12.572 6.824 -3.675 690 2HG2 THR 108 2HG2 THR 108 -11.443 8.150 -4.044 691 3HG2 THR 108 3HG2 THR 108 -13.040 8.509 -3.343 692 H ASP 109 H ASP 109 -12.453 7.472 -8.190 693 HA ASP 109 HA ASP 109 -14.682 8.090 -9.625 694 2HB ASP 109 2HB ASP 109 -12.956 7.355 -11.612 695 HD2 ASP 109 HD2 ASP 109 -12.761 9.911 -9.009 Start of MODEL 17 1 1H MET 1 1H MET 1 5.230 14.248 -7.514 2 HA MET 1 HA MET 1 6.559 16.179 -5.812 3 2HB MET 1 2HB MET 1 4.175 16.616 -4.803 4 2HG MET 1 2HG MET 1 5.488 17.761 -7.160 5 1HE MET 1 1HE MET 1 4.636 19.873 -8.044 6 2HE MET 1 2HE MET 1 3.737 19.439 -9.516 7 3HE MET 1 3HE MET 1 2.927 20.338 -8.211 8 H SER 2 H SER 2 3.554 14.517 -4.907 9 HA SER 2 HA SER 2 5.067 12.377 -3.701 10 2HB SER 2 2HB SER 2 4.270 12.759 -1.472 11 HG SER 2 HG SER 2 5.849 14.479 -2.562 12 H GLU 3 H GLU 3 4.010 10.542 -4.353 13 HA GLU 3 HA GLU 3 1.121 10.568 -4.179 14 2HB GLU 3 2HB GLU 3 0.899 9.490 -6.405 15 2HG GLU 3 2HG GLU 3 2.447 12.124 -6.430 16 HE2 GLU 3 HE2 GLU 3 1.999 12.574 -9.698 17 H VAL 4 H VAL 4 0.709 8.959 -2.726 18 HA VAL 4 HA VAL 4 2.272 6.488 -3.032 19 HB VAL 4 HB VAL 4 2.992 7.568 -1.045 20 1HG1 VAL 4 1HG1 VAL 4 0.083 8.167 -0.674 21 2HG1 VAL 4 2HG1 VAL 4 1.093 7.952 0.776 22 3HG1 VAL 4 3HG1 VAL 4 1.508 9.204 -0.420 23 1HG2 VAL 4 1HG2 VAL 4 2.122 5.983 0.739 24 2HG2 VAL 4 2HG2 VAL 4 1.016 5.337 -0.497 25 3HG2 VAL 4 3HG2 VAL 4 2.778 5.218 -0.729 26 H ASN 5 H ASN 5 1.055 4.797 -3.684 27 HA ASN 5 HA ASN 5 -1.704 4.766 -2.780 28 2HB ASN 5 2HB ASN 5 -2.447 5.082 -4.917 29 1HD2 ASN 5 1HD2 ASN 5 0.133 3.488 -6.516 30 2HD2 ASN 5 2HD2 ASN 5 0.952 4.869 -7.166 31 H ILE 6 H ILE 6 -2.435 2.615 -2.289 32 HA ILE 6 HA ILE 6 -0.739 0.400 -3.099 33 HB ILE 6 HB ILE 6 -0.299 1.582 -0.670 34 2HG1 ILE 6 2HG1 ILE 6 1.132 -0.247 -0.241 35 1HG2 ILE 6 1HG2 ILE 6 -2.232 -0.711 -0.265 36 2HG2 ILE 6 2HG2 ILE 6 -1.146 -0.086 0.999 37 3HG2 ILE 6 3HG2 ILE 6 -2.394 0.971 0.296 38 1HD1 ILE 6 1HD1 ILE 6 0.850 -2.464 -1.103 39 2HD1 ILE 6 2HD1 ILE 6 -0.755 -1.989 -0.499 40 3HD1 ILE 6 3HD1 ILE 6 -0.410 -1.940 -2.245 41 H VAL 7 H VAL 7 -2.031 -1.174 -3.877 42 HA VAL 7 HA VAL 7 -4.760 -1.287 -2.787 43 HB VAL 7 HB VAL 7 -4.702 -0.339 -5.040 44 1HG1 VAL 7 1HG1 VAL 7 -3.630 -2.984 -6.046 45 2HG1 VAL 7 2HG1 VAL 7 -3.840 -1.457 -6.937 46 3HG1 VAL 7 3HG1 VAL 7 -2.572 -1.595 -5.695 47 1HG2 VAL 7 1HG2 VAL 7 -5.899 -3.097 -4.707 48 2HG2 VAL 7 2HG2 VAL 7 -6.691 -1.511 -4.542 49 3HG2 VAL 7 3HG2 VAL 7 -6.196 -2.097 -6.149 50 H VAL 8 H VAL 8 -5.304 -3.202 -1.865 51 HA VAL 8 HA VAL 8 -3.737 -5.548 -2.669 52 HB VAL 8 HB VAL 8 -4.568 -5.005 0.174 53 1HG1 VAL 8 1HG1 VAL 8 -2.151 -6.572 -0.312 54 2HG1 VAL 8 2HG1 VAL 8 -3.599 -6.968 0.645 55 3HG1 VAL 8 3HG1 VAL 8 -3.583 -7.268 -1.109 56 1HG2 VAL 8 1HG2 VAL 8 -2.372 -4.137 0.670 57 2HG2 VAL 8 2HG2 VAL 8 -1.847 -4.375 -1.014 58 3HG2 VAL 8 3HG2 VAL 8 -3.089 -3.158 -0.633 59 H ASN 9 H ASN 9 -5.131 -6.933 -3.624 60 HA ASN 9 HA ASN 9 -7.823 -6.997 -2.506 61 2HB ASN 9 2HB ASN 9 -7.902 -8.251 -5.038 62 1HD2 ASN 9 1HD2 ASN 9 -9.871 -7.635 -3.625 63 2HD2 ASN 9 2HD2 ASN 9 -10.711 -6.189 -4.077 64 H GLY 10 H GLY 10 -7.992 -8.852 -1.230 65 1HA GLY 10 1HA GLY 10 -8.111 -11.095 -0.841 66 2HA GLY 10 2HA GLY 10 -7.328 -11.418 -2.375 67 H ARG 11 H ARG 11 -6.397 -9.557 0.613 68 HA ARG 11 HA ARG 11 -4.358 -9.358 1.468 69 2HB ARG 11 2HB ARG 11 -5.622 -11.112 2.786 70 2HG ARG 11 2HG ARG 11 -3.789 -13.236 1.741 71 2HD ARG 11 2HD ARG 11 -6.648 -13.843 2.001 72 HE ARG 11 HE ARG 11 -4.240 -15.150 2.507 73 1HH1 ARG 11 1HH1 ARG 11 -7.203 -14.584 4.365 74 2HH1 ARG 11 2HH1 ARG 11 -7.050 -16.042 5.289 75 2HH2 ARG 11 2HH2 ARG 11 -5.181 -17.489 4.896 76 H GLU 12 H GLU 12 -3.849 -9.428 -1.237 77 HA GLU 12 HA GLU 12 -1.934 -11.544 -1.679 78 2HB GLU 12 2HB GLU 12 -3.070 -9.381 -3.500 79 2HG GLU 12 2HG GLU 12 -0.583 -10.471 -3.841 80 HE2 GLU 12 HE2 GLU 12 -0.460 -13.504 -5.393 81 H ALA 13 H ALA 13 0.279 -11.254 -1.613 82 HA ALA 13 HA ALA 13 1.279 -8.511 -1.623 83 1HB ALA 13 1HB ALA 13 2.074 -8.569 0.499 84 2HB ALA 13 2HB ALA 13 0.879 -9.865 0.747 85 3HB ALA 13 3HB ALA 13 2.569 -10.274 0.365 86 H GLY 14 H GLY 14 3.717 -8.496 -1.930 87 1HA GLY 14 1HA GLY 14 4.968 -10.906 -2.856 88 2HA GLY 14 2HA GLY 14 4.486 -9.854 -4.170 89 H SER 15 H SER 15 5.621 -8.992 -0.837 90 HA SER 15 HA SER 15 8.132 -8.140 -1.905 91 2HB SER 15 2HB SER 15 6.666 -5.985 -0.411 92 HG SER 15 HG SER 15 7.970 -4.655 -1.691 93 H LYS 16 H LYS 16 9.314 -6.854 0.114 94 HA LYS 16 HA LYS 16 9.243 -8.774 2.234 95 2HB LYS 16 2HB LYS 16 10.887 -6.426 2.723 96 2HG LYS 16 2HG LYS 16 11.200 -8.776 3.627 97 2HD LYS 16 2HD LYS 16 10.662 -9.949 1.451 98 2HE LYS 16 2HE LYS 16 13.315 -8.673 0.690 99 1HZ LYS 16 1HZ LYS 16 13.776 -10.386 -0.715 100 2HZ LYS 16 2HZ LYS 16 12.929 -11.297 0.335 101 H SER 17 H SER 17 7.286 -6.182 1.458 102 HA SER 17 HA SER 17 7.120 -4.713 3.746 103 2HB SER 17 2HB SER 17 5.879 -3.941 1.889 104 HG SER 17 HG SER 17 3.974 -5.416 1.185 105 H LYS 18 H LYS 18 5.891 -7.979 2.996 106 HA LYS 18 HA LYS 18 4.001 -8.295 4.950 107 2HB LYS 18 2HB LYS 18 4.551 -10.709 4.805 108 2HG LYS 18 2HG LYS 18 4.754 -10.387 2.015 109 2HD LYS 18 2HD LYS 18 2.052 -10.122 2.503 110 2HE LYS 18 2HE LYS 18 3.970 -12.422 2.360 111 1HZ LYS 18 1HZ LYS 18 1.462 -12.564 3.776 112 2HZ LYS 18 2HZ LYS 18 1.558 -13.644 2.560 113 H GLY 19 H GLY 19 7.511 -7.993 5.235 114 1HA GLY 19 1HA GLY 19 7.704 -9.098 7.863 115 2HA GLY 19 2HA GLY 19 8.903 -8.150 7.009 116 H CYS 20 H CYS 20 9.164 -5.963 7.477 117 HA CYS 20 HA CYS 20 7.091 -4.748 9.134 118 2HB CYS 20 2HB CYS 20 8.648 -3.901 10.725 119 HG CYS 20 HG CYS 20 8.290 -5.896 11.954 120 H ALA 21 H ALA 21 7.601 -2.236 9.253 121 HA ALA 21 HA ALA 21 7.738 -1.308 6.602 122 1HB ALA 21 1HB ALA 21 7.962 0.203 9.237 123 2HB ALA 21 2HB ALA 21 7.549 0.902 7.653 124 3HB ALA 21 3HB ALA 21 6.438 -0.248 8.435 125 H LEU 22 H LEU 22 10.059 -1.296 9.374 126 HA LEU 22 HA LEU 22 12.084 -0.206 7.579 127 2HB LEU 22 2HB LEU 22 11.996 -0.577 10.573 128 HG LEU 22 HG LEU 22 13.974 0.974 10.582 129 1HD1 LEU 22 1HD1 LEU 22 15.064 -0.863 11.165 130 2HD1 LEU 22 2HD1 LEU 22 13.869 -1.858 10.300 131 3HD1 LEU 22 3HD1 LEU 22 15.318 -1.270 9.451 132 1HD2 LEU 22 1HD2 LEU 22 15.327 1.307 8.694 133 2HD2 LEU 22 2HD2 LEU 22 14.494 0.042 7.760 134 3HD2 LEU 22 3HD2 LEU 22 13.665 1.577 8.116 135 H CYS 23 H CYS 23 11.381 -3.022 9.729 136 HA CYS 23 HA CYS 23 13.748 -4.342 8.724 137 2HB CYS 23 2HB CYS 23 12.302 -6.144 10.321 138 HG CYS 23 HG CYS 23 14.144 -4.505 12.177 139 H GLY 24 H GLY 24 13.183 -6.902 8.279 140 1HA GLY 24 1HA GLY 24 10.680 -7.355 6.948 141 2HA GLY 24 2HA GLY 24 12.001 -7.094 5.827 142 H ALA 25 H ALA 25 11.652 -8.798 9.029 143 HA ALA 25 HA ALA 25 12.998 -11.091 7.776 144 1HB ALA 25 1HB ALA 25 13.709 -11.662 10.068 145 2HB ALA 25 2HB ALA 25 14.231 -10.017 9.632 146 3HB ALA 25 3HB ALA 25 12.827 -10.251 10.700 147 H THR 26 H THR 26 10.016 -9.841 8.939 148 HA THR 26 HA THR 26 9.009 -12.540 9.515 149 HB THR 26 HB THR 26 7.645 -9.850 10.005 150 HG1 THR 26 HG1 THR 26 9.374 -9.662 11.390 151 1HG2 THR 26 1HG2 THR 26 7.150 -12.695 10.710 152 2HG2 THR 26 2HG2 THR 26 7.142 -11.601 12.114 153 3HG2 THR 26 3HG2 THR 26 6.031 -11.313 10.754 154 H TRP 27 H TRP 27 6.574 -12.770 8.818 155 HA TRP 27 HA TRP 27 5.830 -11.446 6.429 156 2HB TRP 27 2HB TRP 27 6.720 -12.668 4.826 157 HD1 TRP 27 HD1 TRP 27 9.310 -12.763 4.579 158 HE1 TRP 27 HE1 TRP 27 11.378 -13.911 5.749 159 HE3 TRP 27 HE3 TRP 27 6.626 -15.082 8.222 160 HZ2 TRP 27 HZ2 TRP 27 11.652 -15.622 8.018 161 HZ3 TRP 27 HZ3 TRP 27 7.871 -16.472 9.875 162 HH2 TRP 27 HH2 TRP 27 10.297 -16.760 9.814 163 H GLY 28 H GLY 28 3.613 -11.801 6.090 164 1HA GLY 28 1HA GLY 28 2.246 -14.107 7.019 165 2HA GLY 28 2HA GLY 28 2.079 -12.800 8.174 166 H ASP 29 H ASP 29 0.051 -14.085 6.341 167 HA ASP 29 HA ASP 29 -0.554 -11.801 4.654 168 2HB ASP 29 2HB ASP 29 -0.887 -13.570 3.227 169 HD2 ASP 29 HD2 ASP 29 -2.546 -15.162 5.849 170 H TYR 30 H TYR 30 -1.778 -13.991 7.246 171 HA TYR 30 HA TYR 30 -4.372 -13.155 7.465 172 2HB TYR 30 2HB TYR 30 -2.834 -13.429 10.016 173 HD1 TYR 30 HD1 TYR 30 -4.167 -14.415 11.650 174 HD2 TYR 30 HD2 TYR 30 -4.960 -15.274 7.534 175 HE1 TYR 30 HE1 TYR 30 -6.234 -15.734 12.317 176 HE2 TYR 30 HE2 TYR 30 -7.025 -16.591 8.215 177 HH TYR 30 HH TYR 30 -7.667 -17.890 10.475 178 H HIS 31 H HIS 31 -1.448 -11.332 8.076 179 HA HIS 31 HA HIS 31 -2.885 -9.431 9.733 180 2HB HIS 31 2HB HIS 31 -0.861 -8.698 10.470 181 HD1 HIS 31 HD1 HIS 31 1.772 -10.566 9.183 182 HD2 HIS 31 HD2 HIS 31 -1.613 -11.640 11.415 183 HE1 HIS 31 HE1 HIS 31 2.325 -12.796 10.292 184 H ALA 32 H ALA 32 -2.415 -7.006 9.149 185 HA ALA 32 HA ALA 32 -2.750 -6.732 6.239 186 1HB ALA 32 1HB ALA 32 -4.572 -6.135 8.311 187 2HB ALA 32 2HB ALA 32 -3.910 -4.566 7.792 188 3HB ALA 32 3HB ALA 32 -4.682 -5.643 6.604 189 H ASP 33 H ASP 33 -1.860 -4.767 5.293 190 HA ASP 33 HA ASP 33 0.257 -3.687 6.981 191 2HB ASP 33 2HB ASP 33 1.335 -4.821 5.199 192 HD2 ASP 33 HD2 ASP 33 1.651 -3.930 2.764 193 H PHE 34 H PHE 34 0.990 -1.386 5.871 194 HA PHE 34 HA PHE 34 -1.509 0.098 5.491 195 2HB PHE 34 2HB PHE 34 0.352 1.979 6.108 196 HD1 PHE 34 HD1 PHE 34 -0.426 3.178 7.922 197 HD2 PHE 34 HD2 PHE 34 -0.825 -1.047 7.952 198 HE1 PHE 34 HE1 PHE 34 -1.719 3.315 10.069 199 HE2 PHE 34 HE2 PHE 34 -2.117 -0.911 10.099 200 HZ PHE 34 HZ PHE 34 -2.549 1.269 11.132 201 H LEU 35 H LEU 35 -0.850 2.386 4.334 202 HA LEU 35 HA LEU 35 -0.455 1.772 1.682 203 2HB LEU 35 2HB LEU 35 -0.140 4.197 1.383 204 HG LEU 35 HG LEU 35 -2.259 3.856 3.503 205 1HD1 LEU 35 1HD1 LEU 35 -1.882 6.117 2.663 206 2HD1 LEU 35 2HD1 LEU 35 -2.122 5.549 0.993 207 3HD1 LEU 35 3HD1 LEU 35 -3.471 5.498 2.154 208 1HD2 LEU 35 1HD2 LEU 35 -2.461 1.916 2.053 209 2HD2 LEU 35 2HD2 LEU 35 -3.798 3.054 1.763 210 3HD2 LEU 35 3HD2 LEU 35 -2.441 2.961 0.613 211 H GLY 36 H GLY 36 1.872 2.224 4.291 212 1HA GLY 36 1HA GLY 36 4.111 2.610 2.486 213 2HA GLY 36 2HA GLY 36 4.145 2.497 4.235 214 H GLU 37 H GLU 37 2.344 0.085 2.358 215 HA GLU 37 HA GLU 37 2.531 -2.124 2.601 216 2HB GLU 37 2HB GLU 37 3.371 -1.706 0.373 217 2HG GLU 37 2HG GLU 37 5.831 -0.860 1.873 218 HE2 GLU 37 HE2 GLU 37 7.468 -0.353 0.259 219 H ASP 38 H ASP 38 2.890 -2.038 5.011 220 HA ASP 38 HA ASP 38 5.376 -3.369 5.576 221 2HB ASP 38 2HB ASP 38 5.851 -0.974 6.045 222 HD2 ASP 38 HD2 ASP 38 3.609 1.188 7.450 223 H LEU 39 H LEU 39 5.160 -4.749 7.489 224 HA LEU 39 HA LEU 39 2.407 -4.875 8.510 225 2HB LEU 39 2HB LEU 39 4.401 -7.122 8.196 226 HG LEU 39 HG LEU 39 2.138 -8.441 8.255 227 1HD1 LEU 39 1HD1 LEU 39 4.190 -8.434 9.863 228 2HD1 LEU 39 2HD1 LEU 39 3.103 -7.538 10.951 229 3HD1 LEU 39 3HD1 LEU 39 2.653 -9.165 10.387 230 1HD2 LEU 39 1HD2 LEU 39 0.563 -6.685 8.415 231 2HD2 LEU 39 2HD2 LEU 39 0.607 -7.457 10.019 232 3HD2 LEU 39 3HD2 LEU 39 1.445 -5.909 9.751 233 H PHE 40 H PHE 40 2.175 -4.285 10.593 234 HA PHE 40 HA PHE 40 4.594 -4.311 12.241 235 2HB PHE 40 2HB PHE 40 3.262 -2.163 11.807 236 HD1 PHE 40 HD1 PHE 40 1.464 -3.002 14.811 237 HD2 PHE 40 HD2 PHE 40 1.119 -2.673 10.595 238 HE1 PHE 40 HE1 PHE 40 -1.036 -2.932 15.022 239 HE2 PHE 40 HE2 PHE 40 -1.381 -2.605 10.804 240 HZ PHE 40 HZ PHE 40 -2.429 -2.735 13.016 241 H PHE 41 H PHE 41 1.780 -6.104 11.612 242 HA PHE 41 HA PHE 41 0.945 -6.707 14.223 243 2HB PHE 41 2HB PHE 41 0.904 -8.448 11.689 244 HD1 PHE 41 HD1 PHE 41 0.590 -10.488 12.971 245 HD2 PHE 41 HD2 PHE 41 -2.014 -7.178 13.490 246 HE1 PHE 41 HE1 PHE 41 -1.045 -11.965 14.173 247 HE2 PHE 41 HE2 PHE 41 -3.650 -8.655 14.692 248 HZ PHE 41 HZ PHE 41 -3.146 -11.031 15.018 249 H CYS 42 H CYS 42 3.899 -7.346 12.697 250 HA CYS 42 HA CYS 42 4.249 -9.988 13.756 251 2HB CYS 42 2HB CYS 42 5.419 -9.695 11.762 252 HG CYS 42 HG CYS 42 6.741 -7.784 10.847 253 H CYS 43 H CYS 43 5.804 -6.725 14.249 254 HA CYS 43 HA CYS 43 6.453 -7.611 16.963 255 2HB CYS 43 2HB CYS 43 8.500 -7.117 15.962 256 HG CYS 43 HG CYS 43 9.194 -5.235 14.389 257 H ASP 44 H ASP 44 5.491 -4.731 14.954 258 HA ASP 44 HA ASP 44 4.017 -3.167 15.315 259 2HB ASP 44 2HB ASP 44 2.985 -5.209 16.897 260 HD2 ASP 44 HD2 ASP 44 2.797 -2.119 19.358 261 H ILE 45 H ILE 45 6.847 -3.559 16.689 262 HA ILE 45 HA ILE 45 6.563 -1.492 18.745 263 HB ILE 45 HB ILE 45 8.544 -3.690 18.263 264 2HG1 ILE 45 2HG1 ILE 45 6.341 -3.279 20.010 265 1HG2 ILE 45 1HG2 ILE 45 10.238 -2.371 18.849 266 2HG2 ILE 45 2HG2 ILE 45 9.150 -1.022 19.250 267 3HG2 ILE 45 3HG2 ILE 45 9.494 -2.277 20.464 268 1HD1 ILE 45 1HD1 ILE 45 7.059 -5.439 19.025 269 2HD1 ILE 45 2HD1 ILE 45 8.558 -5.381 19.984 270 3HD1 ILE 45 3HD1 ILE 45 6.984 -5.546 20.801 271 H CYS 46 H CYS 46 8.926 -2.509 16.171 272 HA CYS 46 HA CYS 46 9.691 0.265 15.908 273 2HB CYS 46 2HB CYS 46 11.445 -1.462 16.000 274 HG CYS 46 HG CYS 46 11.474 -2.447 13.094 275 H ALA 47 H ALA 47 7.350 -1.900 14.697 276 HA ALA 47 HA ALA 47 7.295 -0.626 12.065 277 1HB ALA 47 1HB ALA 47 6.019 -3.118 13.243 278 2HB ALA 47 2HB ALA 47 5.558 -2.459 11.655 279 3HB ALA 47 3HB ALA 47 7.226 -3.011 11.939 280 H ALA 48 H ALA 48 4.934 -0.193 11.258 281 HA ALA 48 HA ALA 48 3.069 0.984 11.440 282 1HB ALA 48 1HB ALA 48 3.187 -0.406 14.102 283 2HB ALA 48 2HB ALA 48 1.971 0.871 13.863 284 3HB ALA 48 3HB ALA 48 1.990 -0.552 12.793 285 H GLU 49 H GLU 49 4.936 2.682 11.166 286 HA GLU 49 HA GLU 49 5.337 4.273 13.509 287 2HB GLU 49 2HB GLU 49 7.199 3.994 11.956 288 2HG GLU 49 2HG GLU 49 6.202 5.665 9.775 289 HE2 GLU 49 HE2 GLU 49 8.716 3.823 8.313 290 H PHE 50 H PHE 50 4.588 6.449 13.815 291 HA PHE 50 HA PHE 50 2.025 6.910 12.645 292 2HB PHE 50 2HB PHE 50 2.132 8.887 14.210 293 HD1 PHE 50 HD1 PHE 50 4.554 7.496 16.299 294 HD2 PHE 50 HD2 PHE 50 0.649 6.754 14.812 295 HE1 PHE 50 HE1 PHE 50 4.094 5.994 18.256 296 HE2 PHE 50 HE2 PHE 50 0.189 5.252 16.770 297 HZ PHE 50 HZ PHE 50 1.917 4.890 18.469 298 H MET 51 H MET 51 5.114 7.386 11.466 299 HA MET 51 HA MET 51 4.994 10.028 10.594 300 2HB MET 51 2HB MET 51 6.531 8.588 8.709 301 2HG MET 51 2HG MET 51 7.071 9.999 11.309 302 1HE MET 51 1HE MET 51 9.794 9.392 8.652 303 2HE MET 51 2HE MET 51 10.526 7.848 9.151 304 3HE MET 51 3HE MET 51 8.864 7.881 8.515 305 H ASN 52 H ASN 52 3.073 7.357 9.732 306 HA ASN 52 HA ASN 52 2.735 8.303 7.015 307 2HB ASN 52 2HB ASN 52 1.404 6.223 6.697 308 1HD2 ASN 52 1HD2 ASN 52 3.247 6.053 5.411 309 2HD2 ASN 52 2HD2 ASN 52 4.640 5.140 5.888 310 H MET 53 H MET 53 0.097 7.834 6.444 311 HA MET 53 HA MET 53 -1.213 9.764 8.116 312 2HB MET 53 2HB MET 53 -3.074 9.311 6.293 313 2HG MET 53 2HG MET 53 -1.553 10.456 4.484 314 1HE MET 53 1HE MET 53 0.114 12.680 6.440 315 2HE MET 53 2HE MET 53 -0.964 13.543 7.562 316 3HE MET 53 3HE MET 53 -0.410 11.896 7.949 317 H MET 54 H MET 54 -3.325 9.421 9.116 318 HA MET 54 HA MET 54 -3.471 6.972 10.427 319 2HB MET 54 2HB MET 54 -4.341 9.124 11.347 320 2HG MET 54 2HG MET 54 -6.566 8.861 9.270 321 1HE MET 54 1HE MET 54 -8.937 11.341 10.576 322 2HE MET 54 2HE MET 54 -8.051 11.307 9.032 323 3HE MET 54 3HE MET 54 -8.619 9.788 9.768 324 H ASP 55 H ASP 55 -5.298 8.370 7.646 325 HA ASP 55 HA ASP 55 -7.314 6.652 7.402 326 2HB ASP 55 2HB ASP 55 -7.333 7.156 5.050 327 HD2 ASP 55 HD2 ASP 55 -4.934 9.693 5.236 328 H GLU 56 H GLU 56 -3.839 6.121 6.665 329 HA GLU 56 HA GLU 56 -4.000 3.855 5.170 330 2HB GLU 56 2HB GLU 56 -1.701 3.407 5.895 331 2HG GLU 56 2HG GLU 56 -2.024 6.428 6.023 332 HE2 GLU 56 HE2 GLU 56 1.340 4.574 5.536 333 H ALA 57 H ALA 57 -4.299 4.284 8.716 334 HA ALA 57 HA ALA 57 -4.140 1.557 9.377 335 1HB ALA 57 1HB ALA 57 -4.454 4.064 10.677 336 2HB ALA 57 2HB ALA 57 -5.836 3.059 11.174 337 3HB ALA 57 3HB ALA 57 -4.174 2.474 11.427 338 H PHE 58 H PHE 58 -6.981 3.778 8.910 339 HA PHE 58 HA PHE 58 -8.988 2.025 9.345 340 2HB PHE 58 2HB PHE 58 -9.982 3.460 7.261 341 HD1 PHE 58 HD1 PHE 58 -9.109 6.408 8.238 342 HD2 PHE 58 HD2 PHE 58 -10.587 2.905 10.123 343 HE1 PHE 58 HE1 PHE 58 -10.096 7.811 10.070 344 HE2 PHE 58 HE2 PHE 58 -11.573 4.309 11.956 345 HZ PHE 58 HZ PHE 58 -11.316 6.744 11.908 346 H LYS 59 H LYS 59 -6.973 2.350 6.378 347 HA LYS 59 HA LYS 59 -8.523 0.609 4.811 348 2HB LYS 59 2HB LYS 59 -5.957 2.023 4.625 349 2HG LYS 59 2HG LYS 59 -6.388 -0.545 3.027 350 2HD LYS 59 2HD LYS 59 -3.976 0.009 2.328 351 2HE LYS 59 2HE LYS 59 -6.192 0.524 1.000 352 1HZ LYS 59 1HZ LYS 59 -5.947 2.880 2.449 353 2HZ LYS 59 2HZ LYS 59 -5.548 3.280 0.922 354 H HIS 60 H HIS 60 -5.656 0.129 6.952 355 HA HIS 60 HA HIS 60 -5.136 -2.481 6.366 356 2HB HIS 60 2HB HIS 60 -4.785 -0.735 8.757 357 HD1 HIS 60 HD1 HIS 60 -2.299 -3.103 9.182 358 HD2 HIS 60 HD2 HIS 60 -6.401 -3.170 10.056 359 HE1 HIS 60 HE1 HIS 60 -2.622 -4.898 10.967 360 H THR 61 H THR 61 -7.618 -1.113 8.599 361 HA THR 61 HA THR 61 -8.494 -3.612 9.569 362 HB THR 61 HB THR 61 -9.558 -0.764 9.471 363 HG1 THR 61 HG1 THR 61 -7.907 -2.228 10.964 364 1HG2 THR 61 1HG2 THR 61 -10.909 -2.851 11.171 365 2HG2 THR 61 2HG2 THR 61 -11.570 -1.339 10.504 366 3HG2 THR 61 3HG2 THR 61 -11.392 -2.770 9.459 367 H ALA 62 H ALA 62 -9.290 -1.696 6.667 368 HA ALA 62 HA ALA 62 -11.554 -3.325 6.035 369 1HB ALA 62 1HB ALA 62 -11.116 -2.050 3.756 370 2HB ALA 62 2HB ALA 62 -11.734 -1.172 5.177 371 3HB ALA 62 3HB ALA 62 -10.007 -1.080 4.756 372 H ARG 63 H ARG 63 -8.063 -3.210 5.237 373 HA ARG 63 HA ARG 63 -8.335 -5.164 3.211 374 2HB ARG 63 2HB ARG 63 -5.800 -4.309 4.693 375 2HG ARG 63 2HG ARG 63 -5.550 -4.773 1.834 376 2HD ARG 63 2HD ARG 63 -4.216 -5.459 4.366 377 HE ARG 63 HE ARG 63 -4.910 -7.716 2.794 378 1HH1 ARG 63 1HH1 ARG 63 -1.971 -6.215 4.085 379 2HH1 ARG 63 2HH1 ARG 63 -1.098 -7.708 4.173 380 2HH2 ARG 63 2HH2 ARG 63 -2.169 -9.736 3.478 381 H HIS 64 H HIS 64 -9.025 -5.516 6.324 382 HA HIS 64 HA HIS 64 -7.355 -7.822 6.867 383 2HB HIS 64 2HB HIS 64 -9.337 -6.231 8.497 384 HD1 HIS 64 HD1 HIS 64 -10.057 -7.136 10.764 385 HD2 HIS 64 HD2 HIS 64 -7.430 -9.700 8.733 386 HE1 HIS 64 HE1 HIS 64 -10.013 -9.313 12.094 387 H ASN 65 H ASN 65 -10.842 -6.930 6.458 388 HA ASN 65 HA ASN 65 -11.327 -9.771 6.025 389 2HB ASN 65 2HB ASN 65 -12.696 -9.082 7.870 390 1HD2 ASN 65 1HD2 ASN 65 -15.167 -7.578 7.349 391 2HD2 ASN 65 2HD2 ASN 65 -14.789 -5.899 7.539 392 H VAL 66 H VAL 66 -12.382 -6.403 5.113 393 HA VAL 66 HA VAL 66 -13.339 -7.428 2.558 394 HB VAL 66 HB VAL 66 -14.423 -5.302 2.330 395 1HG1 VAL 66 1HG1 VAL 66 -16.059 -5.554 3.961 396 2HG1 VAL 66 2HG1 VAL 66 -15.278 -7.154 3.963 397 3HG1 VAL 66 3HG1 VAL 66 -14.882 -5.967 5.230 398 1HG2 VAL 66 1HG2 VAL 66 -12.996 -3.650 3.112 399 2HG2 VAL 66 2HG2 VAL 66 -14.230 -3.695 4.393 400 3HG2 VAL 66 3HG2 VAL 66 -12.664 -4.506 4.637 401 H ASP 67 H ASP 67 -12.912 -4.757 1.274 402 HA ASP 67 HA ASP 67 -10.013 -4.773 1.120 403 2HB ASP 67 2HB ASP 67 -9.987 -4.950 -1.239 404 HD2 ASP 67 HD2 ASP 67 -11.399 -8.147 0.033 405 H GLU 68 H GLU 68 -9.159 -2.646 0.826 406 HA GLU 68 HA GLU 68 -11.015 -0.580 0.044 407 2HB GLU 68 2HB GLU 68 -9.787 0.727 2.110 408 2HG GLU 68 2HG GLU 68 -11.927 -0.037 3.457 409 HE2 GLU 68 HE2 GLU 68 -11.558 1.423 0.076 410 H LEU 69 H LEU 69 -9.998 1.166 -1.025 411 HA LEU 69 HA LEU 69 -7.075 1.110 -1.064 412 2HB LEU 69 2HB LEU 69 -7.418 -0.078 -2.991 413 HG LEU 69 HG LEU 69 -9.059 0.414 -4.749 414 1HD1 LEU 69 1HD1 LEU 69 -10.553 -0.995 -3.854 415 2HD1 LEU 69 2HD1 LEU 69 -9.471 -0.994 -2.441 416 3HD1 LEU 69 3HD1 LEU 69 -10.893 0.077 -2.474 417 1HD2 LEU 69 1HD2 LEU 69 -10.632 2.172 -2.905 418 2HD2 LEU 69 2HD2 LEU 69 -9.296 2.875 -3.849 419 3HD2 LEU 69 3HD2 LEU 69 -10.647 2.068 -4.682 420 H HIS 70 H HIS 70 -6.184 3.113 -0.854 421 HA HIS 70 HA HIS 70 -7.791 5.397 -1.620 422 2HB HIS 70 2HB HIS 70 -7.603 6.501 0.508 423 HD1 HIS 70 HD1 HIS 70 -10.162 5.639 -0.270 424 HD2 HIS 70 HD2 HIS 70 -8.080 3.374 2.582 425 HE1 HIS 70 HE1 HIS 70 -11.910 4.220 0.931 426 H ILE 71 H ILE 71 -6.537 7.161 -2.286 427 HA ILE 71 HA ILE 71 -3.651 6.896 -1.893 428 HB ILE 71 HB ILE 71 -4.041 5.895 -4.021 429 2HG1 ILE 71 2HG1 ILE 71 -2.463 7.049 -5.229 430 1HG2 ILE 71 1HG2 ILE 71 -5.962 6.411 -5.043 431 2HG2 ILE 71 2HG2 ILE 71 -6.039 8.027 -4.299 432 3HG2 ILE 71 3HG2 ILE 71 -5.052 7.765 -5.756 433 1HD1 ILE 71 1HD1 ILE 71 -4.097 9.446 -4.475 434 2HD1 ILE 71 2HD1 ILE 71 -2.355 9.707 -4.728 435 3HD1 ILE 71 3HD1 ILE 71 -3.352 9.023 -6.035 436 H ASP 72 H ASP 72 -2.698 8.788 -1.292 437 HA ASP 72 HA ASP 72 -4.089 11.229 -1.962 438 2HB ASP 72 2HB ASP 72 -3.036 11.322 0.777 439 HD2 ASP 72 HD2 ASP 72 -4.038 13.640 0.196 440 H GLY 73 H GLY 73 -2.589 12.989 -2.224 441 1HA GLY 73 1HA GLY 73 0.221 12.437 -1.508 442 2HA GLY 73 2HA GLY 73 -0.214 12.932 -3.131 443 H ASN 74 H ASN 74 1.179 14.147 -0.487 444 HA ASN 74 HA ASN 74 0.122 16.777 -1.046 445 2HB ASN 74 2HB ASN 74 0.561 16.981 1.676 446 1HD2 ASN 74 1HD2 ASN 74 -0.765 18.683 1.259 447 2HD2 ASN 74 2HD2 ASN 74 -2.476 18.558 1.022 448 H TYR 75 H TYR 75 1.791 18.391 -0.883 449 HA TYR 75 HA TYR 75 4.426 17.531 -1.096 450 2HB TYR 75 2HB TYR 75 3.694 19.680 -1.986 451 HD1 TYR 75 HD1 TYR 75 3.779 20.810 1.551 452 HD2 TYR 75 HD2 TYR 75 1.380 20.284 -1.953 453 HE1 TYR 75 HE1 TYR 75 1.921 22.186 2.607 454 HE2 TYR 75 HE2 TYR 75 -0.470 21.663 -0.884 455 HH TYR 75 HH TYR 75 -1.177 22.613 0.942 456 H GLN 76 H GLN 76 2.434 17.838 1.705 457 HA GLN 76 HA GLN 76 4.816 18.098 3.363 458 2HB GLN 76 2HB GLN 76 2.110 18.279 4.616 459 2HG GLN 76 2HG GLN 76 4.681 18.842 5.423 460 1HE2 GLN 76 1HE2 GLN 76 5.624 20.835 6.279 461 2HE2 GLN 76 2HE2 GLN 76 5.607 22.271 5.313 462 H LEU 77 H LEU 77 2.794 15.811 1.992 463 HA LEU 77 HA LEU 77 2.062 14.130 4.037 464 2HB LEU 77 2HB LEU 77 3.048 13.310 1.304 465 HG LEU 77 HG LEU 77 1.126 12.049 3.260 466 1HD1 LEU 77 1HD1 LEU 77 -0.026 10.913 1.649 467 2HD1 LEU 77 2HD1 LEU 77 0.262 12.444 0.790 468 3HD1 LEU 77 3HD1 LEU 77 1.291 11.031 0.457 469 1HD2 LEU 77 1HD2 LEU 77 3.787 11.510 2.520 470 2HD2 LEU 77 2HD2 LEU 77 2.702 10.511 3.517 471 3HD2 LEU 77 3HD2 LEU 77 2.795 10.243 1.759 472 H GLY 78 H GLY 78 5.219 14.387 2.296 473 1HA GLY 78 1HA GLY 78 7.003 14.049 4.168 474 2HA GLY 78 2HA GLY 78 6.367 12.416 4.142 475 H ARG 79 H ARG 79 5.863 13.520 1.035 476 HA ARG 79 HA ARG 79 6.840 13.263 -0.876 477 2HB ARG 79 2HB ARG 79 9.509 13.229 -0.849 478 2HG ARG 79 2HG ARG 79 8.426 15.772 0.328 479 2HD ARG 79 2HD ARG 79 10.709 15.416 -0.874 480 HE ARG 79 HE ARG 79 9.277 14.309 -2.900 481 1HH1 ARG 79 1HH1 ARG 79 10.986 17.409 -2.736 482 2HH1 ARG 79 2HH1 ARG 79 11.324 17.453 -4.434 483 2HH2 ARG 79 2HH2 ARG 79 10.572 15.654 -5.828 484 H ASN 80 H ASN 80 5.827 10.964 0.082 485 HA ASN 80 HA ASN 80 7.944 9.017 -0.401 486 2HB ASN 80 2HB ASN 80 5.623 7.845 0.915 487 1HD2 ASN 80 1HD2 ASN 80 6.279 6.646 2.779 488 2HD2 ASN 80 2HD2 ASN 80 7.935 6.195 3.014 489 H VAL 81 H VAL 81 7.594 7.911 -2.334 490 HA VAL 81 HA VAL 81 4.814 7.749 -3.278 491 HB VAL 81 HB VAL 81 5.993 9.231 -4.691 492 1HG1 VAL 81 1HG1 VAL 81 8.281 8.650 -3.950 493 2HG1 VAL 81 2HG1 VAL 81 8.203 7.160 -4.922 494 3HG1 VAL 81 3HG1 VAL 81 8.148 8.749 -5.723 495 1HG2 VAL 81 1HG2 VAL 81 6.397 7.505 -6.763 496 2HG2 VAL 81 2HG2 VAL 81 5.376 6.517 -5.691 497 3HG2 VAL 81 3HG2 VAL 81 4.803 8.108 -6.249 498 H LEU 82 H LEU 82 4.063 5.721 -2.932 499 HA LEU 82 HA LEU 82 5.916 3.530 -3.551 500 2HB LEU 82 2HB LEU 82 4.826 2.234 -1.760 501 HG LEU 82 HG LEU 82 5.986 4.835 -0.723 502 1HD1 LEU 82 1HD1 LEU 82 4.884 2.526 0.628 503 2HD1 LEU 82 2HD1 LEU 82 6.607 2.736 1.022 504 3HD1 LEU 82 3HD1 LEU 82 5.463 4.072 1.295 505 1HD2 LEU 82 1HD2 LEU 82 7.962 4.178 -1.480 506 2HD2 LEU 82 2HD2 LEU 82 7.821 2.657 -0.567 507 3HD2 LEU 82 3HD2 LEU 82 7.206 2.754 -2.235 508 H LEU 83 H LEU 83 5.232 2.351 -5.250 509 HA LEU 83 HA LEU 83 2.341 2.372 -5.776 510 2HB LEU 83 2HB LEU 83 4.431 1.922 -7.881 511 HG LEU 83 HG LEU 83 1.685 3.199 -8.026 512 1HD1 LEU 83 1HD1 LEU 83 3.357 4.084 -9.638 513 2HD1 LEU 83 2HD1 LEU 83 3.569 2.433 -10.272 514 3HD1 LEU 83 3HD1 LEU 83 1.991 3.246 -10.411 515 1HD2 LEU 83 1HD2 LEU 83 1.633 0.748 -7.570 516 2HD2 LEU 83 2HD2 LEU 83 0.916 1.213 -9.132 517 3HD2 LEU 83 3HD2 LEU 83 2.542 0.492 -9.079 518 H LYS 84 H LYS 84 1.463 0.486 -5.114 519 HA LYS 84 HA LYS 84 2.991 -1.943 -5.735 520 2HB LYS 84 2HB LYS 84 1.263 -1.571 -3.277 521 2HG LYS 84 2HG LYS 84 2.444 -3.845 -4.568 522 2HD LYS 84 2HD LYS 84 3.776 -3.035 -1.943 523 2HE LYS 84 2HE LYS 84 4.620 -5.576 -3.163 524 1HZ LYS 84 1HZ LYS 84 3.960 -4.513 -0.517 525 2HZ LYS 84 2HZ LYS 84 3.906 -6.132 -0.693 526 H ASN 85 H ASN 85 1.959 -3.199 -7.184 527 HA ASN 85 HA ASN 85 -0.930 -2.843 -7.335 528 2HB ASN 85 2HB ASN 85 -0.681 -3.655 -9.722 529 1HD2 ASN 85 1HD2 ASN 85 1.373 -2.265 -11.154 530 2HD2 ASN 85 2HD2 ASN 85 1.120 -0.562 -10.958 531 H GLY 86 H GLY 86 -1.990 -4.630 -6.465 532 1HA GLY 86 1HA GLY 86 -0.693 -7.272 -6.785 533 2HA GLY 86 2HA GLY 86 -1.545 -6.777 -5.336 534 H GLU 87 H GLU 87 -1.846 -8.592 -8.112 535 HA GLU 87 HA GLU 87 -4.737 -8.193 -8.110 536 2HB GLU 87 2HB GLU 87 -4.375 -9.286 -10.551 537 2HG GLU 87 2HG GLU 87 -5.503 -7.130 -10.151 538 HE2 GLU 87 HE2 GLU 87 -1.965 -5.485 -9.266 539 H ASP 88 H ASP 88 -5.842 -9.938 -7.339 540 HA ASP 88 HA ASP 88 -4.447 -12.494 -7.502 541 2HB ASP 88 2HB ASP 88 -6.640 -11.735 -5.524 542 HD2 ASP 88 HD2 ASP 88 -4.133 -12.929 -4.020 543 H ARG 89 H ARG 89 -5.626 -14.235 -8.440 544 HA ARG 89 HA ARG 89 -8.447 -13.844 -8.847 545 2HB ARG 89 2HB ARG 89 -6.419 -14.219 -11.096 546 2HG ARG 89 2HG ARG 89 -9.163 -14.119 -12.025 547 2HD ARG 89 2HD ARG 89 -7.323 -14.989 -13.391 548 HE ARG 89 HE ARG 89 -5.776 -16.082 -11.949 549 1HH1 ARG 89 1HH1 ARG 89 -8.881 -17.786 -12.002 550 2HH1 ARG 89 2HH1 ARG 89 -8.253 -19.211 -11.244 551 2HH2 ARG 89 2HH2 ARG 89 -5.937 -19.293 -10.633 552 H LEU 90 H LEU 90 -9.551 -15.802 -8.621 553 HA LEU 90 HA LEU 90 -7.878 -18.219 -8.664 554 2HB LEU 90 2HB LEU 90 -9.737 -19.013 -7.008 555 HG LEU 90 HG LEU 90 -7.559 -17.089 -6.152 556 1HD1 LEU 90 1HD1 LEU 90 -9.718 -17.801 -4.615 557 2HD1 LEU 90 2HD1 LEU 90 -8.512 -19.033 -4.173 558 3HD1 LEU 90 3HD1 LEU 90 -8.124 -17.305 -3.999 559 1HD2 LEU 90 1HD2 LEU 90 -7.663 -20.115 -6.265 560 2HD2 LEU 90 2HD2 LEU 90 -6.662 -19.033 -7.263 561 3HD2 LEU 90 3HD2 LEU 90 -6.359 -19.162 -5.515 562 H ARG 91 H ARG 91 -9.290 -20.261 -9.033 563 HA ARG 91 HA ARG 91 -10.649 -19.791 -11.459 564 2HB ARG 91 2HB ARG 91 -9.293 -21.827 -11.135 565 2HG ARG 91 2HG ARG 91 -11.287 -22.365 -8.894 566 2HD ARG 91 2HD ARG 91 -9.173 -24.371 -9.652 567 HE ARG 91 HE ARG 91 -10.457 -25.098 -7.789 568 1HH1 ARG 91 1HH1 ARG 91 -12.559 -24.321 -10.532 569 2HH1 ARG 91 2HH1 ARG 91 -13.953 -25.081 -9.840 570 2HH2 ARG 91 2HH2 ARG 91 -13.774 -26.122 -7.688 571 H PHE 92 H PHE 92 -11.549 -19.687 -8.154 572 HA PHE 92 HA PHE 92 -14.179 -20.757 -8.431 573 2HB PHE 92 2HB PHE 92 -12.997 -18.818 -6.358 574 HD1 PHE 92 HD1 PHE 92 -15.526 -18.180 -6.281 575 HD2 PHE 92 HD2 PHE 92 -14.006 -21.971 -5.129 576 HE1 PHE 92 HE1 PHE 92 -17.592 -18.593 -4.917 577 HE2 PHE 92 HE2 PHE 92 -16.072 -22.384 -3.765 578 HZ PHE 92 HZ PHE 92 -17.840 -20.690 -3.674 579 H TYR 93 H TYR 93 -12.623 -17.548 -8.683 580 HA TYR 93 HA TYR 93 -15.264 -16.454 -9.382 581 2HB TYR 93 2HB TYR 93 -13.297 -14.470 -8.541 582 HD1 TYR 93 HD1 TYR 93 -16.194 -16.559 -7.478 583 HD2 TYR 93 HD2 TYR 93 -14.281 -12.739 -7.259 584 HE1 TYR 93 HE1 TYR 93 -18.250 -15.587 -6.341 585 HE2 TYR 93 HE2 TYR 93 -16.342 -11.780 -6.121 586 HH TYR 93 HH TYR 93 -18.714 -12.257 -6.000 587 H VAL 94 H VAL 94 -15.276 -14.798 -11.043 588 HA VAL 94 HA VAL 94 -12.895 -14.979 -12.755 589 HB VAL 94 HB VAL 94 -15.826 -14.633 -13.397 590 1HG1 VAL 94 1HG1 VAL 94 -14.672 -14.905 -15.827 591 2HG1 VAL 94 2HG1 VAL 94 -15.050 -13.331 -15.088 592 3HG1 VAL 94 3HG1 VAL 94 -13.400 -13.989 -14.986 593 1HG2 VAL 94 1HG2 VAL 94 -15.032 -16.940 -12.896 594 2HG2 VAL 94 2HG2 VAL 94 -15.610 -16.740 -14.568 595 3HG2 VAL 94 3HG2 VAL 94 -13.863 -16.793 -14.230 596 H LYS 95 H LYS 95 -15.447 -12.853 -11.367 597 HA LYS 95 HA LYS 95 -14.536 -10.496 -12.578 598 2HB LYS 95 2HB LYS 95 -16.309 -11.182 -10.259 599 2HG LYS 95 2HG LYS 95 -14.825 -8.651 -10.637 600 2HD LYS 95 2HD LYS 95 -16.924 -7.302 -9.996 601 2HE LYS 95 2HE LYS 95 -16.463 -8.480 -12.757 602 1HZ LYS 95 1HZ LYS 95 -18.022 -6.391 -13.237 603 2HZ LYS 95 2HZ LYS 95 -18.636 -7.893 -13.102 604 H PHE 96 H PHE 96 -14.108 -11.620 -9.143 605 HA PHE 96 HA PHE 96 -12.651 -10.868 -7.615 606 2HB PHE 96 2HB PHE 96 -10.400 -11.278 -9.550 607 HD1 PHE 96 HD1 PHE 96 -9.741 -10.564 -7.023 608 HD2 PHE 96 HD2 PHE 96 -11.179 -14.372 -8.223 609 HE1 PHE 96 HE1 PHE 96 -8.671 -11.605 -5.004 610 HE2 PHE 96 HE2 PHE 96 -10.110 -15.412 -6.204 611 HZ PHE 96 HZ PHE 96 -8.869 -14.016 -4.619 612 H GLY 97 H GLY 97 -13.606 -8.554 -8.523 613 1HA GLY 97 1HA GLY 97 -12.518 -6.681 -9.924 614 2HA GLY 97 2HA GLY 97 -12.860 -6.376 -8.232 615 HA PRO 98 HA PRO 98 -8.194 -7.129 -8.870 616 2HB PRO 98 2HB PRO 98 -7.571 -8.140 -10.842 617 2HG PRO 98 2HG PRO 98 -9.183 -8.113 -12.491 618 2HD PRO 98 2HD PRO 98 -11.078 -7.905 -11.205 619 H GLY 99 H GLY 99 -8.515 -5.387 -7.376 620 1HA GLY 99 1HA GLY 99 -8.799 -2.761 -8.008 621 2HA GLY 99 2HA GLY 99 -7.853 -3.354 -6.658 622 H ALA 100 H ALA 100 -7.778 -1.961 -9.880 623 HA ALA 100 HA ALA 100 -4.857 -2.179 -9.930 624 1HB ALA 100 1HB ALA 100 -5.114 -1.518 -12.310 625 2HB ALA 100 2HB ALA 100 -6.042 -2.987 -11.923 626 3HB ALA 100 3HB ALA 100 -6.877 -1.422 -12.081 627 H VAL 101 H VAL 101 -3.593 -0.228 -10.398 628 HA VAL 101 HA VAL 101 -4.128 1.866 -8.756 629 HB VAL 101 HB VAL 101 -2.476 3.102 -10.079 630 1HG1 VAL 101 1HG1 VAL 101 -1.290 1.779 -8.659 631 2HG1 VAL 101 2HG1 VAL 101 -2.079 0.283 -9.214 632 3HG1 VAL 101 3HG1 VAL 101 -0.777 1.014 -10.182 633 1HG2 VAL 101 1HG2 VAL 101 -3.387 2.268 -12.314 634 2HG2 VAL 101 2HG2 VAL 101 -1.616 2.359 -12.156 635 3HG2 VAL 101 3HG2 VAL 101 -2.442 0.788 -12.029 636 H ILE 102 H ILE 102 -5.235 1.329 -12.123 637 HA ILE 102 HA ILE 102 -6.243 3.922 -12.508 638 HB ILE 102 HB ILE 102 -5.737 2.453 -14.341 639 2HG1 ILE 102 2HG1 ILE 102 -8.541 3.451 -14.008 640 1HG2 ILE 102 1HG2 ILE 102 -6.428 0.332 -14.586 641 2HG2 ILE 102 2HG2 ILE 102 -6.783 0.430 -12.845 642 3HG2 ILE 102 3HG2 ILE 102 -8.081 0.693 -14.034 643 1HD1 ILE 102 1HD1 ILE 102 -6.010 4.357 -15.097 644 2HD1 ILE 102 2HD1 ILE 102 -7.231 4.310 -16.392 645 3HD1 ILE 102 3HD1 ILE 102 -7.533 5.260 -14.918 646 H LYS 103 H LYS 103 -7.654 0.878 -11.190 647 HA LYS 103 HA LYS 103 -10.259 1.905 -10.952 648 2HB LYS 103 2HB LYS 103 -10.618 -0.049 -9.483 649 2HG LYS 103 2HG LYS 103 -10.250 -1.711 -11.166 650 2HD LYS 103 2HD LYS 103 -10.097 0.794 -12.867 651 2HE LYS 103 2HE LYS 103 -11.645 -1.833 -12.952 652 1HZ LYS 103 1HZ LYS 103 -12.998 0.163 -13.639 653 2HZ LYS 103 2HZ LYS 103 -11.930 0.439 -14.837 654 H GLU 104 H GLU 104 -7.466 1.692 -8.661 655 HA GLU 104 HA GLU 104 -8.839 2.773 -6.513 656 2HB GLU 104 2HB GLU 104 -6.015 2.224 -7.245 657 2HG GLU 104 2HG GLU 104 -6.006 4.683 -6.509 658 HE2 GLU 104 HE2 GLU 104 -5.589 3.936 -3.145 659 H PHE 105 H PHE 105 -6.818 4.295 -9.098 660 HA PHE 105 HA PHE 105 -6.624 6.827 -8.205 661 2HB PHE 105 2HB PHE 105 -6.791 5.347 -10.765 662 HD1 PHE 105 HD1 PHE 105 -9.196 5.996 -11.434 663 HD2 PHE 105 HD2 PHE 105 -5.991 8.771 -11.271 664 HE1 PHE 105 HE1 PHE 105 -10.463 7.547 -12.947 665 HE2 PHE 105 HE2 PHE 105 -7.258 10.323 -12.783 666 HZ PHE 105 HZ PHE 105 -9.479 9.692 -13.603 667 H LYS 106 H LYS 106 -9.545 5.204 -9.491 668 HA LYS 106 HA LYS 106 -11.094 7.456 -9.943 669 2HB LYS 106 2HB LYS 106 -12.984 5.943 -9.847 670 2HG LYS 106 2HG LYS 106 -10.622 4.327 -10.888 671 2HD LYS 106 2HD LYS 106 -12.256 3.809 -12.716 672 2HE LYS 106 2HE LYS 106 -13.024 3.217 -9.834 673 1HZ LYS 106 1HZ LYS 106 -14.207 1.617 -11.944 674 2HZ LYS 106 2HZ LYS 106 -14.853 2.079 -10.523 675 H ILE 107 H ILE 107 -10.641 5.479 -6.944 676 HA ILE 107 HA ILE 107 -12.393 6.468 -5.248 677 HB ILE 107 HB ILE 107 -9.815 5.325 -5.079 678 2HG1 ILE 107 2HG1 ILE 107 -11.964 5.670 -2.968 679 1HG2 ILE 107 1HG2 ILE 107 -9.082 7.613 -4.367 680 2HG2 ILE 107 2HG2 ILE 107 -10.181 7.468 -2.973 681 3HG2 ILE 107 3HG2 ILE 107 -8.821 6.334 -3.157 682 1HD1 ILE 107 1HD1 ILE 107 -11.607 3.842 -5.337 683 2HD1 ILE 107 2HD1 ILE 107 -12.293 3.164 -3.840 684 3HD1 ILE 107 3HD1 ILE 107 -13.101 4.528 -4.652 685 H THR 108 H THR 108 -9.547 8.284 -6.494 686 HA THR 108 HA THR 108 -10.927 10.752 -5.971 687 HB THR 108 HB THR 108 -9.892 10.193 -3.740 688 HG1 THR 108 HG1 THR 108 -9.808 12.403 -3.969 689 1HG2 THR 108 1HG2 THR 108 -7.226 10.626 -5.164 690 2HG2 THR 108 2HG2 THR 108 -7.496 10.135 -3.475 691 3HG2 THR 108 3HG2 THR 108 -7.838 8.996 -4.798 692 H ASP 109 H ASP 109 -7.620 9.397 -6.616 693 HA ASP 109 HA ASP 109 -6.803 11.449 -8.207 694 2HB ASP 109 2HB ASP 109 -5.669 9.151 -9.366 695 HD2 ASP 109 HD2 ASP 109 -4.659 10.971 -6.132 Start of MODEL 18 1 1H MET 1 1H MET 1 8.745 14.577 -5.085 2 HA MET 1 HA MET 1 6.599 15.961 -4.505 3 2HB MET 1 2HB MET 1 5.586 15.988 -6.664 4 2HG MET 1 2HG MET 1 5.978 13.002 -7.046 5 1HE MET 1 1HE MET 1 7.208 13.932 -10.338 6 2HE MET 1 2HE MET 1 6.508 15.538 -10.653 7 3HE MET 1 3HE MET 1 7.570 15.291 -9.246 8 H SER 2 H SER 2 4.709 14.555 -3.522 9 HA SER 2 HA SER 2 5.890 12.020 -2.692 10 2HB SER 2 2HB SER 2 5.599 12.547 -0.501 11 HG SER 2 HG SER 2 5.968 14.829 -1.821 12 H GLU 3 H GLU 3 4.645 10.255 -3.206 13 HA GLU 3 HA GLU 3 1.780 10.610 -3.234 14 2HB GLU 3 2HB GLU 3 1.637 9.393 -5.457 15 2HG GLU 3 2HG GLU 3 3.250 11.837 -6.054 16 HE2 GLU 3 HE2 GLU 3 -0.506 11.669 -7.279 17 H VAL 4 H VAL 4 0.764 8.866 -2.294 18 HA VAL 4 HA VAL 4 2.408 6.450 -1.970 19 HB VAL 4 HB VAL 4 1.856 7.921 0.054 20 1HG1 VAL 4 1HG1 VAL 4 -0.396 7.325 1.081 21 2HG1 VAL 4 2HG1 VAL 4 -0.433 8.455 -0.294 22 3HG1 VAL 4 3HG1 VAL 4 -0.875 6.748 -0.533 23 1HG2 VAL 4 1HG2 VAL 4 2.171 5.154 -0.274 24 2HG2 VAL 4 2HG2 VAL 4 2.379 6.093 1.225 25 3HG2 VAL 4 3HG2 VAL 4 0.810 5.335 0.860 26 H ASN 5 H ASN 5 1.483 4.455 -2.465 27 HA ASN 5 HA ASN 5 -1.304 4.505 -3.237 28 2HB ASN 5 2HB ASN 5 0.423 2.900 -5.059 29 1HD2 ASN 5 1HD2 ASN 5 -0.116 4.538 -7.291 30 2HD2 ASN 5 2HD2 ASN 5 -1.818 4.528 -7.610 31 H ILE 6 H ILE 6 -2.295 2.671 -2.356 32 HA ILE 6 HA ILE 6 -0.664 0.280 -2.005 33 HB ILE 6 HB ILE 6 -0.509 1.549 0.084 34 2HG1 ILE 6 2HG1 ILE 6 -0.869 -1.096 -0.209 35 1HG2 ILE 6 1HG2 ILE 6 -2.432 2.847 0.251 36 2HG2 ILE 6 2HG2 ILE 6 -3.514 1.472 -0.079 37 3HG2 ILE 6 3HG2 ILE 6 -2.679 1.592 1.489 38 1HD1 ILE 6 1HD1 ILE 6 0.172 0.626 1.738 39 2HD1 ILE 6 2HD1 ILE 6 -0.985 -0.381 2.642 40 3HD1 ILE 6 3HD1 ILE 6 0.331 -1.146 1.720 41 H VAL 7 H VAL 7 -1.737 -1.528 -2.645 42 HA VAL 7 HA VAL 7 -4.649 -1.462 -2.607 43 HB VAL 7 HB VAL 7 -3.958 -0.614 -4.806 44 1HG1 VAL 7 1HG1 VAL 7 -1.792 -1.668 -5.051 45 2HG1 VAL 7 2HG1 VAL 7 -2.537 -3.285 -5.060 46 3HG1 VAL 7 3HG1 VAL 7 -2.836 -2.160 -6.406 47 1HG2 VAL 7 1HG2 VAL 7 -6.018 -1.641 -4.966 48 2HG2 VAL 7 2HG2 VAL 7 -5.081 -2.581 -6.152 49 3HG2 VAL 7 3HG2 VAL 7 -5.379 -3.243 -4.526 50 H VAL 8 H VAL 8 -5.524 -3.428 -2.040 51 HA VAL 8 HA VAL 8 -3.822 -5.778 -2.260 52 HB VAL 8 HB VAL 8 -5.159 -5.057 0.344 53 1HG1 VAL 8 1HG1 VAL 8 -2.816 -6.797 0.413 54 2HG1 VAL 8 2HG1 VAL 8 -4.447 -7.049 1.078 55 3HG1 VAL 8 3HG1 VAL 8 -4.108 -7.448 -0.623 56 1HG2 VAL 8 1HG2 VAL 8 -3.050 -4.288 1.214 57 2HG2 VAL 8 2HG2 VAL 8 -2.220 -4.679 -0.310 58 3HG2 VAL 8 3HG2 VAL 8 -3.414 -3.361 -0.261 59 H ASN 9 H ASN 9 -5.042 -7.176 -3.413 60 HA ASN 9 HA ASN 9 -7.899 -7.141 -2.836 61 2HB ASN 9 2HB ASN 9 -6.349 -7.703 -5.403 62 1HD2 ASN 9 1HD2 ASN 9 -9.669 -6.946 -5.447 63 2HD2 ASN 9 2HD2 ASN 9 -10.308 -8.489 -5.907 64 H GLY 10 H GLY 10 -8.424 -8.965 -1.621 65 1HA GLY 10 1HA GLY 10 -8.636 -11.169 -1.134 66 2HA GLY 10 2HA GLY 10 -7.645 -11.577 -2.519 67 H ARG 11 H ARG 11 -6.824 -9.381 0.236 68 HA ARG 11 HA ARG 11 -4.933 -9.295 1.358 69 2HB ARG 11 2HB ARG 11 -5.883 -10.391 3.143 70 2HG ARG 11 2HG ARG 11 -6.922 -12.720 2.886 71 2HD ARG 11 2HD ARG 11 -8.424 -11.363 0.818 72 HE ARG 11 HE ARG 11 -9.245 -11.116 3.624 73 1HH1 ARG 11 1HH1 ARG 11 -9.062 -13.295 0.835 74 2HH1 ARG 11 2HH1 ARG 11 -10.322 -14.335 1.409 75 2HH2 ARG 11 2HH2 ARG 11 -11.394 -13.842 3.496 76 H GLU 12 H GLU 12 -4.072 -9.781 -1.174 77 HA GLU 12 HA GLU 12 -2.434 -12.158 -1.100 78 2HB GLU 12 2HB GLU 12 -3.125 -10.148 -3.272 79 2HG GLU 12 2HG GLU 12 -0.714 -11.731 -3.052 80 HE2 GLU 12 HE2 GLU 12 -1.203 -14.288 -3.711 81 H ALA 13 H ALA 13 -0.195 -12.142 -0.874 82 HA ALA 13 HA ALA 13 1.000 -9.478 -0.519 83 1HB ALA 13 1HB ALA 13 0.702 -11.309 1.424 84 2HB ALA 13 2HB ALA 13 2.211 -11.927 0.708 85 3HB ALA 13 3HB ALA 13 2.136 -10.258 1.325 86 H GLY 14 H GLY 14 2.912 -9.015 -1.612 87 1HA GLY 14 1HA GLY 14 4.439 -11.079 -2.898 88 2HA GLY 14 2HA GLY 14 3.447 -10.174 -4.025 89 H SER 15 H SER 15 4.674 -8.689 -1.024 90 HA SER 15 HA SER 15 6.699 -7.333 -2.611 91 2HB SER 15 2HB SER 15 4.297 -6.154 -1.545 92 HG SER 15 HG SER 15 6.716 -4.933 -0.535 93 H LYS 16 H LYS 16 8.211 -6.007 -0.994 94 HA LYS 16 HA LYS 16 9.026 -7.915 1.002 95 2HB LYS 16 2HB LYS 16 11.000 -6.480 1.211 96 2HG LYS 16 2HG LYS 16 11.739 -6.570 -1.216 97 2HD LYS 16 2HD LYS 16 10.201 -9.067 -0.378 98 2HE LYS 16 2HE LYS 16 11.503 -8.840 -2.655 99 1HZ LYS 16 1HZ LYS 16 13.866 -9.254 -2.390 100 2HZ LYS 16 2HZ LYS 16 13.511 -7.870 -1.609 101 H SER 17 H SER 17 6.495 -5.991 1.056 102 HA SER 17 HA SER 17 7.080 -4.455 3.387 103 2HB SER 17 2HB SER 17 5.522 -3.415 1.951 104 HG SER 17 HG SER 17 3.425 -5.048 1.725 105 H LYS 18 H LYS 18 6.253 -7.712 2.695 106 HA LYS 18 HA LYS 18 4.450 -8.365 4.673 107 2HB LYS 18 2HB LYS 18 5.922 -10.614 4.530 108 2HG LYS 18 2HG LYS 18 4.682 -10.735 2.095 109 2HD LYS 18 2HD LYS 18 4.160 -11.693 4.610 110 2HE LYS 18 2HE LYS 18 2.840 -9.493 5.021 111 1HZ LYS 18 1HZ LYS 18 0.528 -9.705 4.103 112 2HZ LYS 18 2HZ LYS 18 1.640 -9.344 2.970 113 H GLY 19 H GLY 19 7.991 -7.814 4.830 114 1HA GLY 19 1HA GLY 19 8.220 -8.710 7.546 115 2HA GLY 19 2HA GLY 19 9.424 -7.873 6.585 116 H CYS 20 H CYS 20 10.050 -6.254 8.024 117 HA CYS 20 HA CYS 20 7.902 -4.589 9.089 118 2HB CYS 20 2HB CYS 20 9.122 -4.309 10.957 119 HG CYS 20 HG CYS 20 9.627 -6.506 11.660 120 H ALA 21 H ALA 21 8.296 -2.177 9.008 121 HA ALA 21 HA ALA 21 8.772 -1.284 6.464 122 1HB ALA 21 1HB ALA 21 9.393 0.867 8.139 123 2HB ALA 21 2HB ALA 21 7.773 0.416 7.556 124 3HB ALA 21 3HB ALA 21 8.345 -0.168 9.137 125 H LEU 22 H LEU 22 11.049 -2.177 8.992 126 HA LEU 22 HA LEU 22 13.226 -0.657 8.006 127 2HB LEU 22 2HB LEU 22 13.126 -3.105 9.774 128 HG LEU 22 HG LEU 22 15.251 -2.147 10.736 129 1HD1 LEU 22 1HD1 LEU 22 16.459 -3.646 9.569 130 2HD1 LEU 22 2HD1 LEU 22 14.881 -4.055 8.854 131 3HD1 LEU 22 3HD1 LEU 22 15.992 -2.965 7.992 132 1HD2 LEU 22 1HD2 LEU 22 15.169 0.076 9.776 133 2HD2 LEU 22 2HD2 LEU 22 16.652 -0.759 9.254 134 3HD2 LEU 22 3HD2 LEU 22 15.280 -0.598 8.131 135 H CYS 23 H CYS 23 12.452 -4.208 7.826 136 HA CYS 23 HA CYS 23 13.608 -4.187 5.163 137 2HB CYS 23 2HB CYS 23 14.702 -6.489 5.933 138 HG CYS 23 HG CYS 23 16.475 -5.293 4.889 139 H GLY 24 H GLY 24 13.078 -6.405 4.072 140 1HA GLY 24 1HA GLY 24 10.429 -7.294 5.041 141 2HA GLY 24 2HA GLY 24 10.914 -7.201 3.360 142 H ALA 25 H ALA 25 11.925 -8.745 6.490 143 HA ALA 25 HA ALA 25 12.808 -11.057 4.906 144 1HB ALA 25 1HB ALA 25 14.649 -11.055 6.194 145 2HB ALA 25 2HB ALA 25 14.090 -9.529 6.920 146 3HB ALA 25 3HB ALA 25 13.663 -11.083 7.675 147 H THR 26 H THR 26 10.734 -9.846 7.541 148 HA THR 26 HA THR 26 9.846 -12.553 8.153 149 HB THR 26 HB THR 26 8.863 -9.919 9.339 150 HG1 THR 26 HG1 THR 26 11.206 -11.607 9.881 151 1HG2 THR 26 1HG2 THR 26 7.787 -11.385 10.728 152 2HG2 THR 26 2HG2 THR 26 8.594 -12.776 9.965 153 3HG2 THR 26 3HG2 THR 26 9.391 -11.905 11.296 154 H TRP 27 H TRP 27 7.544 -13.110 8.169 155 HA TRP 27 HA TRP 27 5.958 -11.517 6.304 156 2HB TRP 27 2HB TRP 27 5.773 -13.060 4.708 157 HD1 TRP 27 HD1 TRP 27 8.328 -12.278 3.939 158 HE1 TRP 27 HE1 TRP 27 10.627 -13.561 3.770 159 HE3 TRP 27 HE3 TRP 27 6.989 -16.151 6.950 160 HZ2 TRP 27 HZ2 TRP 27 11.606 -15.997 4.888 161 HZ3 TRP 27 HZ3 TRP 27 8.676 -17.940 7.360 162 HH2 TRP 27 HH2 TRP 27 10.916 -17.905 6.385 163 H GLY 28 H GLY 28 3.698 -11.672 6.742 164 1HA GLY 28 1HA GLY 28 2.675 -13.601 8.599 165 2HA GLY 28 2HA GLY 28 2.891 -12.024 9.331 166 H ASP 29 H ASP 29 0.697 -13.975 7.708 167 HA ASP 29 HA ASP 29 -0.551 -11.805 6.284 168 2HB ASP 29 2HB ASP 29 -2.205 -13.614 5.626 169 HD2 ASP 29 HD2 ASP 29 -1.013 -15.095 3.322 170 H TYR 30 H TYR 30 -0.975 -14.001 9.109 171 HA TYR 30 HA TYR 30 -3.573 -13.523 9.794 172 2HB TYR 30 2HB TYR 30 -2.028 -13.493 12.185 173 HD1 TYR 30 HD1 TYR 30 -2.728 -15.871 9.365 174 HD2 TYR 30 HD2 TYR 30 -2.860 -15.158 13.582 175 HE1 TYR 30 HE1 TYR 30 -3.928 -18.085 9.709 176 HE2 TYR 30 HE2 TYR 30 -4.061 -17.373 13.911 177 HH TYR 30 HH TYR 30 -4.959 -19.090 12.958 178 H HIS 31 H HIS 31 -0.892 -11.268 9.780 179 HA HIS 31 HA HIS 31 -2.261 -9.490 11.615 180 2HB HIS 31 2HB HIS 31 0.471 -9.687 10.442 181 HD1 HIS 31 HD1 HIS 31 -0.455 -6.959 12.852 182 HD2 HIS 31 HD2 HIS 31 0.671 -7.352 8.830 183 HE1 HIS 31 HE1 HIS 31 0.108 -4.609 12.034 184 H ALA 32 H ALA 32 -2.246 -7.048 10.840 185 HA ALA 32 HA ALA 32 -3.314 -7.050 8.100 186 1HB ALA 32 1HB ALA 32 -4.737 -6.594 10.365 187 2HB ALA 32 2HB ALA 32 -4.148 -4.946 10.039 188 3HB ALA 32 3HB ALA 32 -5.100 -5.811 8.808 189 H ASP 33 H ASP 33 -2.102 -5.917 6.673 190 HA ASP 33 HA ASP 33 -0.027 -4.256 7.719 191 2HB ASP 33 2HB ASP 33 0.370 -5.769 5.787 192 HD2 ASP 33 HD2 ASP 33 -1.279 -3.090 3.965 193 H PHE 34 H PHE 34 -0.014 -1.961 7.615 194 HA PHE 34 HA PHE 34 -2.518 -0.755 6.733 195 2HB PHE 34 2HB PHE 34 -1.567 1.184 8.083 196 HD1 PHE 34 HD1 PHE 34 -3.702 -0.627 8.642 197 HD2 PHE 34 HD2 PHE 34 0.096 -0.375 10.518 198 HE1 PHE 34 HE1 PHE 34 -4.662 -1.648 10.724 199 HE2 PHE 34 HE2 PHE 34 -0.864 -1.396 12.599 200 HZ PHE 34 HZ PHE 34 -3.232 -2.020 12.678 201 H LEU 35 H LEU 35 -1.991 1.750 6.028 202 HA LEU 35 HA LEU 35 -1.053 1.613 3.465 203 2HB LEU 35 2HB LEU 35 -0.588 4.231 4.529 204 HG LEU 35 HG LEU 35 -2.792 3.019 2.857 205 1HD1 LEU 35 1HD1 LEU 35 -4.074 4.872 2.908 206 2HD1 LEU 35 2HD1 LEU 35 -3.315 5.099 4.502 207 3HD1 LEU 35 3HD1 LEU 35 -2.682 5.967 3.083 208 1HD2 LEU 35 1HD2 LEU 35 -1.776 4.772 1.226 209 2HD2 LEU 35 2HD2 LEU 35 -0.376 4.725 2.324 210 3HD2 LEU 35 3HD2 LEU 35 -0.921 3.237 1.514 211 H GLY 36 H GLY 36 0.736 1.855 6.499 212 1HA GLY 36 1HA GLY 36 3.134 2.943 5.641 213 2HA GLY 36 2HA GLY 36 2.937 1.782 6.937 214 H GLU 37 H GLU 37 1.737 -0.316 5.143 215 HA GLU 37 HA GLU 37 2.324 -1.929 3.803 216 2HB GLU 37 2HB GLU 37 4.831 -0.793 2.698 217 2HG GLU 37 2HG GLU 37 2.186 -1.848 1.622 218 HE2 GLU 37 HE2 GLU 37 2.449 0.495 0.787 219 H ASP 38 H ASP 38 3.006 -2.188 6.421 220 HA ASP 38 HA ASP 38 5.423 -3.728 6.194 221 2HB ASP 38 2HB ASP 38 6.669 -2.601 7.774 222 HD2 ASP 38 HD2 ASP 38 6.436 -1.510 5.592 223 H LEU 39 H LEU 39 5.709 -4.912 8.531 224 HA LEU 39 HA LEU 39 2.999 -5.666 9.375 225 2HB LEU 39 2HB LEU 39 4.964 -7.581 10.151 226 HG LEU 39 HG LEU 39 2.483 -7.917 9.499 227 1HD1 LEU 39 1HD1 LEU 39 3.224 -6.913 7.099 228 2HD1 LEU 39 2HD1 LEU 39 3.378 -8.658 6.779 229 3HD1 LEU 39 3HD1 LEU 39 1.828 -7.992 7.345 230 1HD2 LEU 39 1HD2 LEU 39 3.398 -9.888 10.123 231 2HD2 LEU 39 2HD2 LEU 39 3.265 -10.233 8.382 232 3HD2 LEU 39 3HD2 LEU 39 4.817 -9.696 9.066 233 H PHE 40 H PHE 40 2.395 -4.988 11.354 234 HA PHE 40 HA PHE 40 4.531 -4.175 13.176 235 2HB PHE 40 2HB PHE 40 1.860 -3.256 12.366 236 HD1 PHE 40 HD1 PHE 40 0.712 -5.247 13.830 237 HD2 PHE 40 HD2 PHE 40 2.398 -1.673 15.374 238 HE1 PHE 40 HE1 PHE 40 -0.719 -5.459 15.881 239 HE2 PHE 40 HE2 PHE 40 0.965 -1.883 17.426 240 HZ PHE 40 HZ PHE 40 -0.575 -3.774 17.654 241 H PHE 41 H PHE 41 3.049 -6.975 12.531 242 HA PHE 41 HA PHE 41 2.255 -7.553 15.277 243 2HB PHE 41 2HB PHE 41 1.932 -8.777 12.501 244 HD1 PHE 41 HD1 PHE 41 -0.189 -9.869 15.199 245 HD2 PHE 41 HD2 PHE 41 3.277 -10.849 12.954 246 HE1 PHE 41 HE1 PHE 41 -0.351 -12.247 15.986 247 HE2 PHE 41 HE2 PHE 41 3.114 -13.227 13.742 248 HZ PHE 41 HZ PHE 41 1.302 -13.897 15.248 249 H CYS 42 H CYS 42 5.069 -7.500 13.497 250 HA CYS 42 HA CYS 42 6.042 -9.985 14.691 251 2HB CYS 42 2HB CYS 42 6.506 -10.136 12.412 252 HG CYS 42 HG CYS 42 7.923 -7.178 12.389 253 H CYS 43 H CYS 43 6.976 -6.539 13.972 254 HA CYS 43 HA CYS 43 8.646 -6.638 16.374 255 2HB CYS 43 2HB CYS 43 8.903 -4.486 14.288 256 HG CYS 43 HG CYS 43 11.613 -4.984 14.879 257 H ASP 44 H ASP 44 6.630 -4.345 14.376 258 HA ASP 44 HA ASP 44 5.183 -2.825 14.920 259 2HB ASP 44 2HB ASP 44 4.599 -4.878 16.678 260 HD2 ASP 44 HD2 ASP 44 3.984 -1.768 17.847 261 H ILE 45 H ILE 45 8.216 -2.858 15.846 262 HA ILE 45 HA ILE 45 8.026 -0.728 17.849 263 HB ILE 45 HB ILE 45 10.258 -2.603 17.079 264 2HG1 ILE 45 2HG1 ILE 45 8.346 -3.392 18.568 265 1HG2 ILE 45 1HG2 ILE 45 10.493 -0.576 19.283 266 2HG2 ILE 45 2HG2 ILE 45 11.766 -1.462 18.410 267 3HG2 ILE 45 3HG2 ILE 45 10.894 -0.134 17.606 268 1HD1 ILE 45 1HD1 ILE 45 10.538 -4.523 18.562 269 2HD1 ILE 45 2HD1 ILE 45 11.187 -3.303 19.685 270 3HD1 ILE 45 3HD1 ILE 45 9.912 -4.421 20.225 271 H CYS 46 H CYS 46 10.064 -1.631 14.972 272 HA CYS 46 HA CYS 46 10.420 1.204 14.479 273 2HB CYS 46 2HB CYS 46 12.353 -0.446 14.465 274 HG CYS 46 HG CYS 46 10.470 -2.093 12.927 275 H ALA 47 H ALA 47 8.299 -1.352 13.704 276 HA ALA 47 HA ALA 47 7.758 -0.310 11.024 277 1HB ALA 47 1HB ALA 47 8.039 -2.694 11.090 278 2HB ALA 47 2HB ALA 47 6.965 -2.845 12.502 279 3HB ALA 47 3HB ALA 47 6.294 -2.387 10.918 280 H ALA 48 H ALA 48 5.298 -0.234 10.484 281 HA ALA 48 HA ALA 48 3.296 0.641 10.838 282 1HB ALA 48 1HB ALA 48 2.459 -0.698 12.465 283 2HB ALA 48 2HB ALA 48 3.955 -0.619 13.428 284 3HB ALA 48 3HB ALA 48 2.754 0.688 13.541 285 H GLU 49 H GLU 49 4.864 2.530 10.150 286 HA GLU 49 HA GLU 49 5.283 4.421 12.258 287 2HB GLU 49 2HB GLU 49 5.722 5.576 9.656 288 2HG GLU 49 2HG GLU 49 7.066 6.112 11.641 289 HE2 GLU 49 HE2 GLU 49 7.403 3.894 13.872 290 H PHE 50 H PHE 50 3.984 6.164 12.760 291 HA PHE 50 HA PHE 50 1.414 6.264 11.532 292 2HB PHE 50 2HB PHE 50 2.805 7.110 13.925 293 HD1 PHE 50 HD1 PHE 50 4.180 9.117 13.308 294 HD2 PHE 50 HD2 PHE 50 -0.062 9.185 13.258 295 HE1 PHE 50 HE1 PHE 50 4.220 11.627 13.350 296 HE2 PHE 50 HE2 PHE 50 -0.023 11.694 13.301 297 HZ PHE 50 HZ PHE 50 2.118 12.885 13.347 298 H MET 51 H MET 51 4.354 7.321 10.419 299 HA MET 51 HA MET 51 4.005 9.964 9.821 300 2HB MET 51 2HB MET 51 5.245 8.053 7.810 301 2HG MET 51 2HG MET 51 6.490 10.491 9.135 302 1HE MET 51 1HE MET 51 8.419 9.447 9.270 303 2HE MET 51 2HE MET 51 9.432 8.713 8.005 304 3HE MET 51 3HE MET 51 9.356 10.484 8.166 305 H ASN 52 H ASN 52 2.236 7.219 8.653 306 HA ASN 52 HA ASN 52 1.534 8.477 6.181 307 2HB ASN 52 2HB ASN 52 -0.250 6.352 6.575 308 1HD2 ASN 52 1HD2 ASN 52 3.303 6.319 6.305 309 2HD2 ASN 52 2HD2 ASN 52 3.393 5.833 4.644 310 H MET 53 H MET 53 -1.181 8.036 5.878 311 HA MET 53 HA MET 53 -2.258 9.928 7.741 312 2HB MET 53 2HB MET 53 -2.841 10.261 5.414 313 2HG MET 53 2HG MET 53 -4.316 8.084 4.520 314 1HE MET 53 1HE MET 53 -2.196 10.552 2.358 315 2HE MET 53 2HE MET 53 -3.620 9.545 2.008 316 3HE MET 53 3HE MET 53 -3.529 10.458 3.533 317 H MET 54 H MET 54 -4.435 9.567 8.780 318 HA MET 54 HA MET 54 -4.398 7.344 10.357 319 2HB MET 54 2HB MET 54 -7.034 8.031 10.461 320 2HG MET 54 2HG MET 54 -5.928 10.313 11.599 321 1HE MET 54 1HE MET 54 -6.694 9.728 14.894 322 2HE MET 54 2HE MET 54 -6.724 10.695 13.400 323 3HE MET 54 3HE MET 54 -8.120 9.679 13.830 324 H ASP 55 H ASP 55 -5.946 7.864 7.173 325 HA ASP 55 HA ASP 55 -7.756 5.922 7.058 326 2HB ASP 55 2HB ASP 55 -7.046 5.637 4.616 327 HD2 ASP 55 HD2 ASP 55 -9.267 7.426 5.532 328 H GLU 56 H GLU 56 -4.183 5.626 7.031 329 HA GLU 56 HA GLU 56 -3.789 3.160 6.071 330 2HB GLU 56 2HB GLU 56 -2.018 4.710 6.904 331 2HG GLU 56 2HG GLU 56 -2.433 3.560 9.671 332 HE2 GLU 56 HE2 GLU 56 -0.164 3.789 8.994 333 H ALA 57 H ALA 57 -5.073 4.049 9.308 334 HA ALA 57 HA ALA 57 -4.991 1.458 10.389 335 1HB ALA 57 1HB ALA 57 -6.543 3.992 10.982 336 2HB ALA 57 2HB ALA 57 -6.794 2.501 11.922 337 3HB ALA 57 3HB ALA 57 -5.192 3.275 11.892 338 H PHE 58 H PHE 58 -7.653 3.357 8.804 339 HA PHE 58 HA PHE 58 -9.533 1.308 8.943 340 2HB PHE 58 2HB PHE 58 -10.470 2.722 6.928 341 HD1 PHE 58 HD1 PHE 58 -11.070 2.244 9.817 342 HD2 PHE 58 HD2 PHE 58 -9.845 5.759 7.782 343 HE1 PHE 58 HE1 PHE 58 -12.188 3.649 11.572 344 HE2 PHE 58 HE2 PHE 58 -10.962 7.165 9.535 345 HZ PHE 58 HZ PHE 58 -12.121 6.093 11.409 346 H LYS 59 H LYS 59 -6.945 2.048 6.582 347 HA LYS 59 HA LYS 59 -7.731 0.627 4.418 348 2HB LYS 59 2HB LYS 59 -5.095 1.267 5.660 349 2HG LYS 59 2HG LYS 59 -4.886 -1.106 4.780 350 2HD LYS 59 2HD LYS 59 -5.627 0.285 2.162 351 2HE LYS 59 2HE LYS 59 -4.601 -1.391 1.007 352 1HZ LYS 59 1HZ LYS 59 -2.837 -0.944 2.615 353 2HZ LYS 59 2HZ LYS 59 -3.439 -2.033 3.665 354 H HIS 60 H HIS 60 -6.596 -0.609 7.570 355 HA HIS 60 HA HIS 60 -6.221 -3.252 6.728 356 2HB HIS 60 2HB HIS 60 -5.994 -1.739 9.119 357 HD1 HIS 60 HD1 HIS 60 -7.109 -5.398 9.278 358 HD2 HIS 60 HD2 HIS 60 -7.938 -1.693 11.061 359 HE1 HIS 60 HE1 HIS 60 -8.739 -5.869 11.183 360 H THR 61 H THR 61 -9.004 -1.631 8.415 361 HA THR 61 HA THR 61 -10.668 -3.889 8.346 362 HB THR 61 HB THR 61 -10.809 -1.717 9.760 363 HG1 THR 61 HG1 THR 61 -12.964 -2.336 9.966 364 1HG2 THR 61 1HG2 THR 61 -10.893 0.099 8.229 365 2HG2 THR 61 2HG2 THR 61 -11.906 -0.803 7.076 366 3HG2 THR 61 3HG2 THR 61 -12.615 -0.178 8.584 367 H ALA 62 H ALA 62 -9.981 -1.337 5.950 368 HA ALA 62 HA ALA 62 -12.160 -1.759 4.293 369 1HB ALA 62 1HB ALA 62 -11.057 0.027 3.465 370 2HB ALA 62 2HB ALA 62 -9.518 -0.487 4.197 371 3HB ALA 62 3HB ALA 62 -10.017 -1.142 2.619 372 H ARG 63 H ARG 63 -8.842 -3.244 4.160 373 HA ARG 63 HA ARG 63 -9.823 -5.110 2.227 374 2HB ARG 63 2HB ARG 63 -7.302 -3.994 2.847 375 2HG ARG 63 2HG ARG 63 -7.112 -7.014 3.151 376 2HD ARG 63 2HD ARG 63 -5.170 -4.817 3.989 377 HE ARG 63 HE ARG 63 -4.135 -7.433 3.302 378 1HH1 ARG 63 1HH1 ARG 63 -5.778 -5.674 5.902 379 2HH1 ARG 63 2HH1 ARG 63 -5.183 -6.716 7.151 380 2HH2 ARG 63 2HH2 ARG 63 -3.757 -8.551 6.568 381 H HIS 64 H HIS 64 -10.410 -4.893 5.391 382 HA HIS 64 HA HIS 64 -9.480 -7.406 6.343 383 2HB HIS 64 2HB HIS 64 -11.490 -5.414 7.421 384 HD1 HIS 64 HD1 HIS 64 -10.271 -8.902 7.872 385 HD2 HIS 64 HD2 HIS 64 -12.065 -5.915 10.207 386 HE1 HIS 64 HE1 HIS 64 -11.113 -10.056 9.986 387 H ASN 65 H ASN 65 -12.742 -6.078 5.441 388 HA ASN 65 HA ASN 65 -13.551 -8.855 5.077 389 2HB ASN 65 2HB ASN 65 -15.714 -8.283 5.802 390 1HD2 ASN 65 1HD2 ASN 65 -14.452 -5.087 6.434 391 2HD2 ASN 65 2HD2 ASN 65 -14.140 -5.272 8.127 392 H VAL 66 H VAL 66 -14.118 -5.443 3.914 393 HA VAL 66 HA VAL 66 -14.887 -6.497 1.308 394 HB VAL 66 HB VAL 66 -15.528 -4.127 0.890 395 1HG1 VAL 66 1HG1 VAL 66 -17.548 -4.207 2.194 396 2HG1 VAL 66 2HG1 VAL 66 -17.106 -5.875 1.759 397 3HG1 VAL 66 3HG1 VAL 66 -16.788 -5.269 3.403 398 1HG2 VAL 66 1HG2 VAL 66 -13.849 -3.329 2.738 399 2HG2 VAL 66 2HG2 VAL 66 -15.371 -2.445 2.475 400 3HG2 VAL 66 3HG2 VAL 66 -15.228 -3.588 3.833 401 H ASP 67 H ASP 67 -14.075 -4.120 -0.169 402 HA ASP 67 HA ASP 67 -11.186 -4.305 0.091 403 2HB ASP 67 2HB ASP 67 -11.549 -4.020 -2.637 404 HD2 ASP 67 HD2 ASP 67 -9.480 -4.950 -1.553 405 H GLU 68 H GLU 68 -10.222 -2.247 -0.060 406 HA GLU 68 HA GLU 68 -11.680 -0.186 -1.454 407 2HB GLU 68 2HB GLU 68 -10.869 1.220 0.786 408 2HG GLU 68 2HG GLU 68 -13.480 0.446 1.410 409 HE2 GLU 68 HE2 GLU 68 -12.380 2.129 -1.487 410 H LEU 69 H LEU 69 -10.312 1.401 -2.369 411 HA LEU 69 HA LEU 69 -7.483 1.213 -1.653 412 2HB LEU 69 2HB LEU 69 -7.843 -0.240 -3.579 413 HG LEU 69 HG LEU 69 -8.751 2.266 -5.019 414 1HD1 LEU 69 1HD1 LEU 69 -7.298 1.309 -6.549 415 2HD1 LEU 69 2HD1 LEU 69 -7.679 -0.352 -6.034 416 3HD1 LEU 69 3HD1 LEU 69 -8.861 0.577 -6.986 417 1HD2 LEU 69 1HD2 LEU 69 -10.573 0.419 -5.685 418 2HD2 LEU 69 2HD2 LEU 69 -10.134 -0.186 -4.070 419 3HD2 LEU 69 3HD2 LEU 69 -10.735 1.477 -4.263 420 H HIS 70 H HIS 70 -6.522 3.185 -1.419 421 HA HIS 70 HA HIS 70 -7.843 5.456 -2.672 422 2HB HIS 70 2HB HIS 70 -7.582 4.942 0.248 423 HD1 HIS 70 HD1 HIS 70 -6.451 6.531 1.792 424 HD2 HIS 70 HD2 HIS 70 -7.518 8.363 -1.828 425 HE1 HIS 70 HE1 HIS 70 -5.647 8.948 1.948 426 H ILE 71 H ILE 71 -6.416 7.093 -3.318 427 HA ILE 71 HA ILE 71 -3.623 6.738 -2.531 428 HB ILE 71 HB ILE 71 -3.541 5.620 -4.537 429 2HG1 ILE 71 2HG1 ILE 71 -1.945 7.533 -4.423 430 1HG2 ILE 71 1HG2 ILE 71 -4.742 6.919 -6.599 431 2HG2 ILE 71 2HG2 ILE 71 -5.492 5.612 -5.653 432 3HG2 ILE 71 3HG2 ILE 71 -5.850 7.311 -5.261 433 1HD1 ILE 71 1HD1 ILE 71 -1.144 6.577 -6.309 434 2HD1 ILE 71 2HD1 ILE 71 -2.775 6.014 -6.749 435 3HD1 ILE 71 3HD1 ILE 71 -2.223 7.628 -7.260 436 H ASP 72 H ASP 72 -2.650 8.632 -1.976 437 HA ASP 72 HA ASP 72 -3.805 11.060 -3.031 438 2HB ASP 72 2HB ASP 72 -3.485 10.384 -0.077 439 HD2 ASP 72 HD2 ASP 72 -5.311 12.822 -1.353 440 H GLY 73 H GLY 73 -2.188 12.720 -3.244 441 1HA GLY 73 1HA GLY 73 0.473 12.113 -2.121 442 2HA GLY 73 2HA GLY 73 0.276 12.471 -3.826 443 H ASN 74 H ASN 74 1.389 13.868 -1.139 444 HA ASN 74 HA ASN 74 0.564 16.478 -2.063 445 2HB ASN 74 2HB ASN 74 0.637 16.953 0.644 446 1HD2 ASN 74 1HD2 ASN 74 -1.803 16.517 1.629 447 2HD2 ASN 74 2HD2 ASN 74 -3.051 17.107 0.582 448 H TYR 75 H TYR 75 2.292 18.015 -1.838 449 HA TYR 75 HA TYR 75 4.873 16.923 -1.415 450 2HB TYR 75 2HB TYR 75 4.474 18.749 -3.006 451 HD1 TYR 75 HD1 TYR 75 2.308 19.567 -3.546 452 HD2 TYR 75 HD2 TYR 75 4.201 20.799 0.088 453 HE1 TYR 75 HE1 TYR 75 0.513 21.334 -3.201 454 HE2 TYR 75 HE2 TYR 75 2.400 22.561 0.421 455 HH TYR 75 HH TYR 75 0.470 23.630 -1.934 456 H GLN 76 H GLN 76 2.492 17.758 0.801 457 HA GLN 76 HA GLN 76 4.502 18.659 2.714 458 2HB GLN 76 2HB GLN 76 1.516 18.913 3.154 459 2HG GLN 76 2HG GLN 76 4.054 20.119 4.235 460 1HE2 GLN 76 1HE2 GLN 76 4.039 22.079 3.059 461 2HE2 GLN 76 2HE2 GLN 76 2.959 23.374 3.458 462 H LEU 77 H LEU 77 2.842 15.945 1.652 463 HA LEU 77 HA LEU 77 1.814 14.755 3.897 464 2HB LEU 77 2HB LEU 77 3.335 13.022 2.049 465 HG LEU 77 HG LEU 77 1.493 12.205 3.580 466 1HD1 LEU 77 1HD1 LEU 77 -0.444 13.355 1.585 467 2HD1 LEU 77 2HD1 LEU 77 -0.749 12.696 3.211 468 3HD1 LEU 77 3HD1 LEU 77 0.048 14.277 3.025 469 1HD2 LEU 77 1HD2 LEU 77 0.743 11.626 0.734 470 2HD2 LEU 77 2HD2 LEU 77 2.355 11.174 1.336 471 3HD2 LEU 77 3HD2 LEU 77 0.897 10.523 2.123 472 H GLY 78 H GLY 78 5.162 14.200 2.581 473 1HA GLY 78 1HA GLY 78 6.689 14.716 4.721 474 2HA GLY 78 2HA GLY 78 6.000 13.165 5.159 475 H ARG 79 H ARG 79 6.652 14.186 1.781 476 HA ARG 79 HA ARG 79 7.810 13.231 0.214 477 2HB ARG 79 2HB ARG 79 10.206 13.219 0.513 478 2HG ARG 79 2HG ARG 79 9.966 15.051 2.754 479 2HD ARG 79 2HD ARG 79 11.497 15.177 0.699 480 HE ARG 79 HE ARG 79 9.010 15.283 -0.698 481 1HH1 ARG 79 1HH1 ARG 79 12.138 16.945 -0.665 482 2HH1 ARG 79 2HH1 ARG 79 12.058 17.391 -2.337 483 2HH2 ARG 79 2HH2 ARG 79 10.147 16.751 -3.633 484 H ASN 80 H ASN 80 6.112 11.344 1.116 485 HA ASN 80 HA ASN 80 7.789 8.990 1.501 486 2HB ASN 80 2HB ASN 80 4.952 8.527 2.049 487 1HD2 ASN 80 1HD2 ASN 80 6.299 6.565 2.126 488 2HD2 ASN 80 2HD2 ASN 80 7.078 6.135 3.611 489 H VAL 81 H VAL 81 7.858 7.720 -0.359 490 HA VAL 81 HA VAL 81 5.485 7.776 -2.091 491 HB VAL 81 HB VAL 81 7.240 9.043 -3.125 492 1HG1 VAL 81 1HG1 VAL 81 9.269 7.100 -3.627 493 2HG1 VAL 81 2HG1 VAL 81 9.395 8.631 -2.729 494 3HG1 VAL 81 3HG1 VAL 81 8.964 7.131 -1.873 495 1HG2 VAL 81 1HG2 VAL 81 5.865 7.525 -4.541 496 2HG2 VAL 81 2HG2 VAL 81 7.481 7.842 -5.217 497 3HG2 VAL 81 3HG2 VAL 81 7.142 6.292 -4.409 498 H LEU 82 H LEU 82 4.459 5.856 -1.847 499 HA LEU 82 HA LEU 82 6.171 3.472 -1.778 500 2HB LEU 82 2HB LEU 82 4.702 2.435 -0.213 501 HG LEU 82 HG LEU 82 5.226 5.249 0.783 502 1HD1 LEU 82 1HD1 LEU 82 5.309 3.232 2.826 503 2HD1 LEU 82 2HD1 LEU 82 4.282 4.681 2.707 504 3HD1 LEU 82 3HD1 LEU 82 3.751 3.151 1.968 505 1HD2 LEU 82 1HD2 LEU 82 6.946 2.834 1.326 506 2HD2 LEU 82 2HD2 LEU 82 7.203 3.867 -0.100 507 3HD2 LEU 82 3HD2 LEU 82 7.329 4.560 1.534 508 H LEU 83 H LEU 83 5.862 2.206 -3.524 509 HA LEU 83 HA LEU 83 3.245 2.416 -4.845 510 2HB LEU 83 2HB LEU 83 6.034 2.301 -5.913 511 HG LEU 83 HG LEU 83 4.975 1.992 -8.209 512 1HD1 LEU 83 1HD1 LEU 83 5.711 -0.154 -8.270 513 2HD1 LEU 83 2HD1 LEU 83 6.342 0.291 -6.666 514 3HD1 LEU 83 3HD1 LEU 83 4.823 -0.626 -6.801 515 1HD2 LEU 83 1HD2 LEU 83 2.943 0.710 -8.391 516 2HD2 LEU 83 2HD2 LEU 83 2.801 0.602 -6.620 517 3HD2 LEU 83 3HD2 LEU 83 2.623 2.176 -7.432 518 H LYS 84 H LYS 84 2.039 0.666 -4.346 519 HA LYS 84 HA LYS 84 3.433 -1.918 -4.371 520 2HB LYS 84 2HB LYS 84 1.073 -1.413 -2.578 521 2HG LYS 84 2HG LYS 84 2.735 -3.077 -1.256 522 2HD LYS 84 2HD LYS 84 1.560 -5.005 -2.456 523 2HE LYS 84 2HE LYS 84 -0.679 -4.386 -1.683 524 1HZ LYS 84 1HZ LYS 84 1.131 -4.598 0.021 525 2HZ LYS 84 2HZ LYS 84 1.285 -2.977 0.039 526 H ASN 85 H ASN 85 2.720 -3.205 -5.977 527 HA ASN 85 HA ASN 85 0.032 -2.638 -6.953 528 2HB ASN 85 2HB ASN 85 0.770 -3.407 -9.148 529 1HD2 ASN 85 1HD2 ASN 85 1.365 -1.846 -10.467 530 2HD2 ASN 85 2HD2 ASN 85 2.377 -0.494 -10.085 531 H GLY 86 H GLY 86 -1.395 -4.259 -6.311 532 1HA GLY 86 1HA GLY 86 -0.304 -6.990 -5.985 533 2HA GLY 86 2HA GLY 86 -1.599 -6.306 -5.023 534 H GLU 87 H GLU 87 -0.905 -8.308 -7.647 535 HA GLU 87 HA GLU 87 -3.608 -7.905 -8.665 536 2HB GLU 87 2HB GLU 87 -2.310 -7.190 -10.485 537 2HG GLU 87 2HG GLU 87 -0.325 -8.990 -11.111 538 HE2 GLU 87 HE2 GLU 87 0.830 -5.728 -11.188 539 H ASP 88 H ASP 88 -4.901 -9.648 -8.276 540 HA ASP 88 HA ASP 88 -3.524 -12.194 -7.923 541 2HB ASP 88 2HB ASP 88 -4.850 -11.087 -5.966 542 HD2 ASP 88 HD2 ASP 88 -7.640 -13.180 -6.508 543 H ARG 89 H ARG 89 -4.353 -13.999 -9.119 544 HA ARG 89 HA ARG 89 -6.689 -13.420 -10.747 545 2HB ARG 89 2HB ARG 89 -4.741 -13.180 -12.218 546 2HG ARG 89 2HG ARG 89 -3.570 -15.118 -10.545 547 2HD ARG 89 2HD ARG 89 -4.818 -16.681 -12.365 548 HE ARG 89 HE ARG 89 -3.826 -16.323 -14.446 549 1HH1 ARG 89 1HH1 ARG 89 -1.322 -16.028 -11.957 550 2HH1 ARG 89 2HH1 ARG 89 -0.032 -15.847 -13.100 551 2HH2 ARG 89 2HH2 ARG 89 -0.529 -15.882 -15.444 552 H LEU 90 H LEU 90 -8.228 -15.055 -10.664 553 HA LEU 90 HA LEU 90 -7.310 -17.714 -9.864 554 2HB LEU 90 2HB LEU 90 -8.431 -17.766 -7.961 555 HG LEU 90 HG LEU 90 -7.555 -15.284 -7.989 556 1HD1 LEU 90 1HD1 LEU 90 -9.822 -13.936 -7.371 557 2HD1 LEU 90 2HD1 LEU 90 -9.043 -13.910 -8.971 558 3HD1 LEU 90 3HD1 LEU 90 -10.417 -14.999 -8.669 559 1HD2 LEU 90 1HD2 LEU 90 -9.670 -15.723 -5.930 560 2HD2 LEU 90 2HD2 LEU 90 -8.354 -16.916 -6.055 561 3HD2 LEU 90 3HD2 LEU 90 -7.976 -15.203 -5.749 562 H ARG 91 H ARG 91 -9.419 -19.253 -10.066 563 HA ARG 91 HA ARG 91 -9.960 -19.274 -12.766 564 2HB ARG 91 2HB ARG 91 -11.967 -20.659 -11.069 565 2HG ARG 91 2HG ARG 91 -9.837 -21.510 -13.081 566 2HD ARG 91 2HD ARG 91 -11.070 -23.122 -11.063 567 HE ARG 91 HE ARG 91 -13.057 -23.574 -12.300 568 1HH1 ARG 91 1HH1 ARG 91 -10.169 -24.137 -14.273 569 2HH1 ARG 91 2HH1 ARG 91 -11.026 -25.006 -15.502 570 2HH2 ARG 91 2HH2 ARG 91 -13.389 -25.335 -15.275 571 H PHE 92 H PHE 92 -11.650 -17.825 -9.987 572 HA PHE 92 HA PHE 92 -14.156 -17.487 -11.163 573 2HB PHE 92 2HB PHE 92 -13.865 -15.358 -9.437 574 HD1 PHE 92 HD1 PHE 92 -15.928 -17.300 -9.918 575 HD2 PHE 92 HD2 PHE 92 -12.899 -17.329 -6.947 576 HE1 PHE 92 HE1 PHE 92 -17.380 -18.728 -8.451 577 HE2 PHE 92 HE2 PHE 92 -14.350 -18.758 -5.481 578 HZ PHE 92 HZ PHE 92 -16.574 -19.441 -6.251 579 H TYR 93 H TYR 93 -11.104 -15.645 -11.406 580 HA TYR 93 HA TYR 93 -12.480 -13.555 -12.911 581 2HB TYR 93 2HB TYR 93 -9.505 -13.584 -12.526 582 HD1 TYR 93 HD1 TYR 93 -11.346 -11.791 -14.089 583 HD2 TYR 93 HD2 TYR 93 -10.011 -11.593 -10.029 584 HE1 TYR 93 HE1 TYR 93 -11.677 -9.269 -14.095 585 HE2 TYR 93 HE2 TYR 93 -10.347 -9.072 -10.049 586 HH TYR 93 HH TYR 93 -10.317 -7.270 -12.122 587 H VAL 94 H VAL 94 -12.468 -13.496 -15.105 588 HA VAL 94 HA VAL 94 -10.527 -15.253 -16.441 589 HB VAL 94 HB VAL 94 -13.328 -15.202 -16.536 590 1HG1 VAL 94 1HG1 VAL 94 -12.107 -14.043 -19.061 591 2HG1 VAL 94 2HG1 VAL 94 -13.725 -14.780 -18.983 592 3HG1 VAL 94 3HG1 VAL 94 -13.364 -13.321 -18.029 593 1HG2 VAL 94 1HG2 VAL 94 -11.426 -16.988 -17.051 594 2HG2 VAL 94 2HG2 VAL 94 -13.071 -17.157 -17.709 595 3HG2 VAL 94 3HG2 VAL 94 -11.767 -16.507 -18.731 596 H LYS 95 H LYS 95 -12.139 -12.052 -16.334 597 HA LYS 95 HA LYS 95 -11.006 -11.015 -18.657 598 2HB LYS 95 2HB LYS 95 -11.923 -9.642 -16.115 599 2HG LYS 95 2HG LYS 95 -12.192 -8.115 -18.573 600 2HD LYS 95 2HD LYS 95 -10.903 -7.779 -15.855 601 2HE LYS 95 2HE LYS 95 -10.102 -5.564 -16.445 602 1HZ LYS 95 1HZ LYS 95 -8.961 -7.814 -17.466 603 2HZ LYS 95 2HZ LYS 95 -9.030 -6.854 -18.779 604 H PHE 96 H PHE 96 -9.700 -11.605 -15.417 605 HA PHE 96 HA PHE 96 -7.676 -11.387 -14.577 606 2HB PHE 96 2HB PHE 96 -5.789 -11.522 -16.215 607 HD1 PHE 96 HD1 PHE 96 -7.484 -13.562 -14.935 608 HD2 PHE 96 HD2 PHE 96 -6.924 -12.666 -19.045 609 HE1 PHE 96 HE1 PHE 96 -8.077 -15.927 -15.531 610 HE2 PHE 96 HE2 PHE 96 -7.517 -15.031 -19.641 611 HZ PHE 96 HZ PHE 96 -8.086 -16.633 -17.877 612 H GLY 97 H GLY 97 -9.021 -9.123 -14.190 613 1HA GLY 97 1HA GLY 97 -8.094 -6.780 -15.392 614 2HA GLY 97 2HA GLY 97 -8.825 -6.918 -13.805 615 HA PRO 98 HA PRO 98 -4.066 -6.866 -13.569 616 2HB PRO 98 2HB PRO 98 -2.979 -6.731 -15.595 617 2HG PRO 98 2HG PRO 98 -4.330 -6.158 -17.375 618 2HD PRO 98 2HD PRO 98 -6.372 -6.849 -16.577 619 H GLY 99 H GLY 99 -3.564 -5.985 -11.671 620 1HA GLY 99 1HA GLY 99 -4.718 -3.345 -11.163 621 2HA GLY 99 2HA GLY 99 -4.083 -4.475 -9.984 622 H ALA 100 H ALA 100 -3.335 -1.858 -12.223 623 HA ALA 100 HA ALA 100 -0.553 -1.922 -11.270 624 1HB ALA 100 1HB ALA 100 0.116 -0.982 -13.366 625 2HB ALA 100 2HB ALA 100 -0.980 -2.330 -13.754 626 3HB ALA 100 3HB ALA 100 -1.568 -0.652 -13.835 627 H VAL 101 H VAL 101 0.421 0.176 -10.791 628 HA VAL 101 HA VAL 101 -1.074 1.773 -9.186 629 HB VAL 101 HB VAL 101 1.281 1.845 -9.107 630 1HG1 VAL 101 1HG1 VAL 101 1.829 3.274 -11.614 631 2HG1 VAL 101 2HG1 VAL 101 2.673 1.895 -10.869 632 3HG1 VAL 101 3HG1 VAL 101 1.217 1.622 -11.857 633 1HG2 VAL 101 1HG2 VAL 101 -0.260 4.158 -9.196 634 2HG2 VAL 101 2HG2 VAL 101 1.389 4.010 -8.542 635 3HG2 VAL 101 3HG2 VAL 101 1.142 4.543 -10.222 636 H ILE 102 H ILE 102 -0.646 1.952 -12.741 637 HA ILE 102 HA ILE 102 -1.861 4.470 -13.043 638 HB ILE 102 HB ILE 102 -0.380 3.070 -14.636 639 2HG1 ILE 102 2HG1 ILE 102 -1.468 5.356 -14.993 640 1HG2 ILE 102 1HG2 ILE 102 -1.638 1.075 -14.857 641 2HG2 ILE 102 2HG2 ILE 102 -3.127 1.968 -15.250 642 3HG2 ILE 102 3HG2 ILE 102 -1.779 1.933 -16.411 643 1HD1 ILE 102 1HD1 ILE 102 0.127 4.967 -16.624 644 2HD1 ILE 102 2HD1 ILE 102 -0.572 3.394 -17.081 645 3HD1 ILE 102 3HD1 ILE 102 -1.324 4.903 -17.652 646 H LYS 103 H LYS 103 -3.106 1.093 -12.985 647 HA LYS 103 HA LYS 103 -5.727 1.781 -13.728 648 2HB LYS 103 2HB LYS 103 -6.292 -0.466 -13.004 649 2HG LYS 103 2HG LYS 103 -4.191 -1.673 -14.099 650 2HD LYS 103 2HD LYS 103 -5.641 0.419 -15.772 651 2HE LYS 103 2HE LYS 103 -5.003 -2.491 -16.408 652 1HZ LYS 103 1HZ LYS 103 -6.357 -0.401 -17.736 653 2HZ LYS 103 2HZ LYS 103 -5.026 -0.768 -18.601 654 H GLU 104 H GLU 104 -3.968 1.677 -10.611 655 HA GLU 104 HA GLU 104 -5.987 1.712 -8.856 656 2HB GLU 104 2HB GLU 104 -4.487 3.102 -7.395 657 2HG GLU 104 2HG GLU 104 -2.590 1.551 -7.398 658 HE2 GLU 104 HE2 GLU 104 -4.944 -1.458 -7.898 659 H PHE 105 H PHE 105 -4.961 4.346 -11.039 660 HA PHE 105 HA PHE 105 -6.102 6.525 -9.936 661 2HB PHE 105 2HB PHE 105 -4.966 5.833 -12.324 662 HD1 PHE 105 HD1 PHE 105 -7.505 7.866 -13.623 663 HD2 PHE 105 HD2 PHE 105 -6.486 3.788 -13.040 664 HE1 PHE 105 HE1 PHE 105 -9.088 7.209 -15.456 665 HE2 PHE 105 HE2 PHE 105 -8.069 3.131 -14.874 666 HZ PHE 105 HZ PHE 105 -9.352 4.849 -16.060 667 H LYS 106 H LYS 106 -7.756 3.770 -11.517 668 HA LYS 106 HA LYS 106 -10.209 4.828 -12.014 669 2HB LYS 106 2HB LYS 106 -10.575 2.235 -10.864 670 2HG LYS 106 2HG LYS 106 -10.272 3.313 -13.703 671 2HD LYS 106 2HD LYS 106 -9.742 0.870 -13.634 672 2HE LYS 106 2HE LYS 106 -11.758 0.833 -11.623 673 1HZ LYS 106 1HZ LYS 106 -12.540 -0.947 -13.853 674 2HZ LYS 106 2HZ LYS 106 -13.370 -0.639 -12.486 675 H ILE 107 H ILE 107 -8.632 4.316 -8.910 676 HA ILE 107 HA ILE 107 -10.608 4.021 -7.139 677 HB ILE 107 HB ILE 107 -8.187 4.336 -6.691 678 2HG1 ILE 107 2HG1 ILE 107 -8.492 5.054 -4.468 679 1HG2 ILE 107 1HG2 ILE 107 -7.520 6.251 -7.824 680 2HG2 ILE 107 2HG2 ILE 107 -8.897 7.209 -7.231 681 3HG2 ILE 107 3HG2 ILE 107 -7.568 6.785 -6.126 682 1HD1 ILE 107 1HD1 ILE 107 -10.143 7.095 -5.682 683 2HD1 ILE 107 2HD1 ILE 107 -11.094 6.244 -4.441 684 3HD1 ILE 107 3HD1 ILE 107 -9.543 7.003 -4.009 685 H THR 108 H THR 108 -9.955 6.933 -9.114 686 HA THR 108 HA THR 108 -12.607 7.902 -8.360 687 HB THR 108 HB THR 108 -11.402 10.251 -8.254 688 HG1 THR 108 HG1 THR 108 -9.261 9.792 -8.700 689 1HG2 THR 108 1HG2 THR 108 -11.753 8.162 -6.216 690 2HG2 THR 108 2HG2 THR 108 -10.332 9.174 -5.863 691 3HG2 THR 108 3HG2 THR 108 -11.935 9.925 -6.051 692 H ASP 109 H ASP 109 -9.720 8.875 -10.339 693 HA ASP 109 HA ASP 109 -11.175 10.048 -12.315 694 2HB ASP 109 2HB ASP 109 -9.061 9.104 -13.741 695 HD2 ASP 109 HD2 ASP 109 -8.306 10.398 -10.768 Start of MODEL 19 1 1H MET 1 1H MET 1 4.580 15.655 -7.706 2 HA MET 1 HA MET 1 6.394 15.896 -6.506 3 2HB MET 1 2HB MET 1 5.984 16.624 -3.938 4 2HG MET 1 2HG MET 1 6.390 18.029 -6.366 5 1HE MET 1 1HE MET 1 5.938 19.956 -7.427 6 2HE MET 1 2HE MET 1 4.408 19.243 -7.993 7 3HE MET 1 3HE MET 1 4.440 20.915 -7.385 8 H SER 2 H SER 2 3.798 14.647 -4.274 9 HA SER 2 HA SER 2 5.324 12.189 -4.122 10 2HB SER 2 2HB SER 2 5.874 12.433 -1.945 11 HG SER 2 HG SER 2 5.724 14.841 -2.726 12 H GLU 3 H GLU 3 3.998 10.351 -4.091 13 HA GLU 3 HA GLU 3 1.220 10.740 -3.423 14 2HB GLU 3 2HB GLU 3 0.929 11.095 -5.720 15 2HG GLU 3 2HG GLU 3 2.526 8.851 -6.794 16 HE2 GLU 3 HE2 GLU 3 0.668 10.288 -7.921 17 H VAL 4 H VAL 4 0.566 9.069 -2.132 18 HA VAL 4 HA VAL 4 2.122 6.583 -2.333 19 HB VAL 4 HB VAL 4 2.476 7.907 -0.272 20 1HG1 VAL 4 1HG1 VAL 4 0.012 8.737 -0.297 21 2HG1 VAL 4 2HG1 VAL 4 -0.337 7.224 0.571 22 3HG1 VAL 4 3HG1 VAL 4 0.795 8.408 1.267 23 1HG2 VAL 4 1HG2 VAL 4 2.451 6.064 1.177 24 2HG2 VAL 4 2HG2 VAL 4 0.976 5.387 0.447 25 3HG2 VAL 4 3HG2 VAL 4 2.516 5.330 -0.444 26 H ASN 5 H ASN 5 0.959 5.068 -3.402 27 HA ASN 5 HA ASN 5 -1.862 4.918 -2.690 28 2HB ASN 5 2HB ASN 5 -1.821 5.792 -4.955 29 1HD2 ASN 5 1HD2 ASN 5 -0.632 2.567 -5.679 30 2HD2 ASN 5 2HD2 ASN 5 0.741 3.024 -6.630 31 H ILE 6 H ILE 6 -2.519 2.794 -2.145 32 HA ILE 6 HA ILE 6 -0.825 0.585 -2.992 33 HB ILE 6 HB ILE 6 -0.786 1.720 -0.356 34 2HG1 ILE 6 2HG1 ILE 6 0.716 -0.242 -2.000 35 1HG2 ILE 6 1HG2 ILE 6 -2.685 0.143 0.021 36 2HG2 ILE 6 2HG2 ILE 6 -1.598 -1.196 -0.417 37 3HG2 ILE 6 3HG2 ILE 6 -1.244 -0.194 1.010 38 1HD1 ILE 6 1HD1 ILE 6 2.572 1.127 -1.355 39 2HD1 ILE 6 2HD1 ILE 6 1.228 2.262 -1.630 40 3HD1 ILE 6 3HD1 ILE 6 1.685 1.809 0.030 41 H VAL 7 H VAL 7 -2.052 -1.099 -3.677 42 HA VAL 7 HA VAL 7 -4.822 -1.177 -2.704 43 HB VAL 7 HB VAL 7 -4.707 -0.216 -4.954 44 1HG1 VAL 7 1HG1 VAL 7 -3.380 -0.985 -6.581 45 2HG1 VAL 7 2HG1 VAL 7 -2.656 -2.071 -5.372 46 3HG1 VAL 7 3HG1 VAL 7 -3.997 -2.644 -6.393 47 1HG2 VAL 7 1HG2 VAL 7 -5.920 -2.978 -4.686 48 2HG2 VAL 7 2HG2 VAL 7 -6.708 -1.399 -4.459 49 3HG2 VAL 7 3HG2 VAL 7 -6.215 -1.921 -6.087 50 H VAL 8 H VAL 8 -5.321 -3.074 -1.735 51 HA VAL 8 HA VAL 8 -3.626 -5.375 -2.422 52 HB VAL 8 HB VAL 8 -4.828 -4.532 0.219 53 1HG1 VAL 8 1HG1 VAL 8 -4.499 -6.590 1.113 54 2HG1 VAL 8 2HG1 VAL 8 -4.701 -7.121 -0.574 55 3HG1 VAL 8 3HG1 VAL 8 -3.068 -6.919 0.106 56 1HG2 VAL 8 1HG2 VAL 8 -2.717 -3.992 0.921 57 2HG2 VAL 8 2HG2 VAL 8 -1.933 -5.173 -0.155 58 3HG2 VAL 8 3HG2 VAL 8 -2.538 -3.634 -0.813 59 H ASN 9 H ASN 9 -4.659 -7.190 -3.142 60 HA ASN 9 HA ASN 9 -7.566 -7.117 -2.922 61 2HB ASN 9 2HB ASN 9 -5.795 -8.297 -5.126 62 1HD2 ASN 9 1HD2 ASN 9 -6.768 -9.470 -6.691 63 2HD2 ASN 9 2HD2 ASN 9 -8.383 -10.090 -6.605 64 H GLY 10 H GLY 10 -8.249 -8.726 -1.501 65 1HA GLY 10 1HA GLY 10 -8.409 -10.713 -0.462 66 2HA GLY 10 2HA GLY 10 -7.531 -11.429 -1.798 67 H ARG 11 H ARG 11 -6.137 -8.733 0.060 68 HA ARG 11 HA ARG 11 -4.448 -8.581 1.400 69 2HB ARG 11 2HB ARG 11 -3.911 -11.023 2.630 70 2HG ARG 11 2HG ARG 11 -5.450 -8.585 3.222 71 2HD ARG 11 2HD ARG 11 -7.278 -10.250 3.614 72 HE ARG 11 HE ARG 11 -5.148 -11.705 5.058 73 1HH1 ARG 11 1HH1 ARG 11 -8.623 -11.385 4.448 74 2HH1 ARG 11 2HH1 ARG 11 -8.993 -12.985 4.998 75 2HH2 ARG 11 2HH2 ARG 11 -7.221 -14.397 5.778 76 H GLU 12 H GLU 12 -3.540 -8.691 -1.044 77 HA GLU 12 HA GLU 12 -1.663 -10.906 -1.202 78 2HB GLU 12 2HB GLU 12 -2.571 -8.940 -3.351 79 2HG GLU 12 2HG GLU 12 -0.231 -9.911 -3.636 80 HE2 GLU 12 HE2 GLU 12 0.903 -11.877 -4.124 81 H ALA 13 H ALA 13 0.604 -10.496 -1.619 82 HA ALA 13 HA ALA 13 1.451 -7.717 -1.427 83 1HB ALA 13 1HB ALA 13 1.267 -9.166 0.872 84 2HB ALA 13 2HB ALA 13 2.909 -9.608 0.347 85 3HB ALA 13 3HB ALA 13 2.484 -7.897 0.598 86 H GLY 14 H GLY 14 3.516 -7.352 -2.368 87 1HA GLY 14 1HA GLY 14 4.501 -9.650 -3.937 88 2HA GLY 14 2HA GLY 14 4.609 -7.966 -4.405 89 H SER 15 H SER 15 5.276 -7.189 -1.500 90 HA SER 15 HA SER 15 8.074 -7.962 -1.706 91 2HB SER 15 2HB SER 15 8.656 -5.858 -0.964 92 HG SER 15 HG SER 15 6.589 -4.374 -1.405 93 H LYS 16 H LYS 16 9.102 -7.607 0.764 94 HA LYS 16 HA LYS 16 7.715 -9.632 2.302 95 2HB LYS 16 2HB LYS 16 10.073 -8.835 3.621 96 2HG LYS 16 2HG LYS 16 8.964 -11.165 3.057 97 2HD LYS 16 2HD LYS 16 10.887 -11.937 1.150 98 2HE LYS 16 2HE LYS 16 8.653 -11.806 -0.368 99 1HZ LYS 16 1HZ LYS 16 9.223 -13.937 0.211 100 2HZ LYS 16 2HZ LYS 16 9.451 -13.608 1.789 101 H SER 17 H SER 17 6.902 -6.631 1.914 102 HA SER 17 HA SER 17 7.281 -5.143 4.083 103 2HB SER 17 2HB SER 17 5.786 -4.721 2.020 104 HG SER 17 HG SER 17 3.827 -5.581 1.978 105 H LYS 18 H LYS 18 5.508 -8.195 3.882 106 HA LYS 18 HA LYS 18 3.834 -8.032 6.040 107 2HB LYS 18 2HB LYS 18 4.208 -10.542 6.179 108 2HG LYS 18 2HG LYS 18 3.110 -8.903 4.037 109 2HD LYS 18 2HD LYS 18 4.866 -10.349 2.760 110 2HE LYS 18 2HE LYS 18 4.301 -12.450 4.111 111 1HZ LYS 18 1HZ LYS 18 1.785 -11.976 3.727 112 2HZ LYS 18 2HZ LYS 18 1.992 -12.747 2.308 113 H GLY 19 H GLY 19 7.327 -7.975 5.944 114 1HA GLY 19 1HA GLY 19 7.666 -8.830 8.688 115 2HA GLY 19 2HA GLY 19 8.895 -8.249 7.582 116 H CYS 20 H CYS 20 9.628 -6.149 7.761 117 HA CYS 20 HA CYS 20 7.984 -4.358 9.394 118 2HB CYS 20 2HB CYS 20 10.120 -3.419 10.318 119 HG CYS 20 HG CYS 20 8.304 -5.325 11.353 120 H ALA 21 H ALA 21 8.616 -1.981 8.952 121 HA ALA 21 HA ALA 21 8.452 -1.471 6.226 122 1HB ALA 21 1HB ALA 21 7.878 -0.048 8.363 123 2HB ALA 21 2HB ALA 21 9.552 0.532 8.196 124 3HB ALA 21 3HB ALA 21 8.389 0.772 6.869 125 H LEU 22 H LEU 22 11.246 -1.622 8.486 126 HA LEU 22 HA LEU 22 12.999 -1.138 6.185 127 2HB LEU 22 2HB LEU 22 13.553 -0.903 9.146 128 HG LEU 22 HG LEU 22 15.646 -1.347 8.035 129 1HD1 LEU 22 1HD1 LEU 22 14.458 0.268 5.887 130 2HD1 LEU 22 2HD1 LEU 22 16.166 0.641 6.223 131 3HD1 LEU 22 3HD1 LEU 22 15.681 -1.024 5.820 132 1HD2 LEU 22 1HD2 LEU 22 15.338 0.616 9.704 133 2HD2 LEU 22 2HD2 LEU 22 16.859 0.477 8.790 134 3HD2 LEU 22 3HD2 LEU 22 15.619 1.649 8.282 135 H CYS 23 H CYS 23 12.349 -3.289 9.007 136 HA CYS 23 HA CYS 23 14.322 -5.153 8.010 137 2HB CYS 23 2HB CYS 23 13.280 -6.457 10.106 138 HG CYS 23 HG CYS 23 15.593 -4.447 9.384 139 H GLY 24 H GLY 24 13.629 -7.502 7.715 140 1HA GLY 24 1HA GLY 24 10.818 -7.973 7.198 141 2HA GLY 24 2HA GLY 24 11.824 -7.907 5.765 142 H ALA 25 H ALA 25 11.509 -9.504 8.992 143 HA ALA 25 HA ALA 25 13.018 -11.770 7.888 144 1HB ALA 25 1HB ALA 25 13.862 -10.518 9.963 145 2HB ALA 25 2HB ALA 25 12.451 -11.192 10.813 146 3HB ALA 25 3HB ALA 25 13.677 -12.281 10.119 147 H THR 26 H THR 26 10.071 -10.715 9.670 148 HA THR 26 HA THR 26 9.007 -13.424 9.507 149 HB THR 26 HB THR 26 8.264 -10.833 10.925 150 HG1 THR 26 HG1 THR 26 9.823 -12.719 11.571 151 1HG2 THR 26 1HG2 THR 26 6.223 -11.777 11.706 152 2HG2 THR 26 2HG2 THR 26 6.192 -12.168 9.970 153 3HG2 THR 26 3HG2 THR 26 6.665 -13.410 11.154 154 H TRP 27 H TRP 27 6.902 -13.877 8.581 155 HA TRP 27 HA TRP 27 5.826 -11.906 6.777 156 2HB TRP 27 2HB TRP 27 7.776 -12.988 5.566 157 HD1 TRP 27 HD1 TRP 27 7.046 -15.637 7.438 158 HE1 TRP 27 HE1 TRP 27 7.107 -18.055 6.382 159 HE3 TRP 27 HE3 TRP 27 6.572 -14.113 2.609 160 HZ2 TRP 27 HZ2 TRP 27 6.953 -19.037 3.707 161 HZ3 TRP 27 HZ3 TRP 27 6.536 -15.865 0.837 162 HH2 TRP 27 HH2 TRP 27 6.717 -18.255 1.321 163 H GLY 28 H GLY 28 3.628 -12.370 6.350 164 1HA GLY 28 1HA GLY 28 2.405 -14.856 6.544 165 2HA GLY 28 2HA GLY 28 2.347 -14.148 8.145 166 H ASP 29 H ASP 29 -0.048 -14.616 6.842 167 HA ASP 29 HA ASP 29 -0.774 -12.015 5.767 168 2HB ASP 29 2HB ASP 29 -2.530 -13.077 4.611 169 HD2 ASP 29 HD2 ASP 29 -1.161 -13.221 3.086 170 H TYR 30 H TYR 30 -1.080 -14.252 8.458 171 HA TYR 30 HA TYR 30 -3.539 -13.711 9.513 172 2HB TYR 30 2HB TYR 30 -1.423 -13.670 11.543 173 HD1 TYR 30 HD1 TYR 30 -1.741 -15.316 13.243 174 HD2 TYR 30 HD2 TYR 30 -3.739 -15.716 9.482 175 HE1 TYR 30 HE1 TYR 30 -3.189 -17.173 14.202 176 HE2 TYR 30 HE2 TYR 30 -5.180 -17.572 10.453 177 HH TYR 30 HH TYR 30 -4.438 -19.088 13.372 178 H HIS 31 H HIS 31 -0.705 -11.592 9.305 179 HA HIS 31 HA HIS 31 -1.971 -9.724 11.143 180 2HB HIS 31 2HB HIS 31 0.107 -9.288 11.775 181 HD1 HIS 31 HD1 HIS 31 1.458 -11.253 12.533 182 HD2 HIS 31 HD2 HIS 31 1.329 -10.938 8.352 183 HE1 HIS 31 HE1 HIS 31 2.998 -13.076 11.631 184 H ALA 32 H ALA 32 -1.822 -7.318 10.421 185 HA ALA 32 HA ALA 32 -2.823 -7.224 7.669 186 1HB ALA 32 1HB ALA 32 -3.558 -4.857 8.690 187 2HB ALA 32 2HB ALA 32 -4.513 -6.335 8.959 188 3HB ALA 32 3HB ALA 32 -3.395 -5.755 10.218 189 H ASP 33 H ASP 33 -2.231 -5.263 6.375 190 HA ASP 33 HA ASP 33 0.516 -4.541 7.016 191 2HB ASP 33 2HB ASP 33 0.203 -3.797 4.397 192 HD2 ASP 33 HD2 ASP 33 2.746 -6.300 5.321 193 H PHE 34 H PHE 34 1.023 -2.254 5.758 194 HA PHE 34 HA PHE 34 -1.274 -0.480 6.133 195 2HB PHE 34 2HB PHE 34 0.440 1.110 7.205 196 HD1 PHE 34 HD1 PHE 34 2.076 -0.973 9.229 197 HD2 PHE 34 HD2 PHE 34 -1.949 -0.090 8.214 198 HE1 PHE 34 HE1 PHE 34 1.326 -1.816 11.472 199 HE2 PHE 34 HE2 PHE 34 -2.699 -0.932 10.456 200 HZ PHE 34 HZ PHE 34 -1.053 -1.785 12.058 201 H LEU 35 H LEU 35 -0.993 1.654 5.030 202 HA LEU 35 HA LEU 35 -0.238 1.355 2.409 203 2HB LEU 35 2HB LEU 35 -0.116 3.983 2.604 204 HG LEU 35 HG LEU 35 -2.561 2.259 2.911 205 1HD1 LEU 35 1HD1 LEU 35 -3.686 3.929 3.866 206 2HD1 LEU 35 2HD1 LEU 35 -2.366 5.091 3.592 207 3HD1 LEU 35 3HD1 LEU 35 -3.550 4.771 2.303 208 1HD2 LEU 35 1HD2 LEU 35 -2.704 3.966 0.673 209 2HD2 LEU 35 2HD2 LEU 35 -1.031 3.362 0.736 210 3HD2 LEU 35 3HD2 LEU 35 -2.391 2.214 0.701 211 H GLY 36 H GLY 36 1.707 2.099 5.268 212 1HA GLY 36 1HA GLY 36 3.954 3.152 3.859 213 2HA GLY 36 2HA GLY 36 3.897 2.596 5.520 214 H GLU 37 H GLU 37 2.563 0.089 3.754 215 HA GLU 37 HA GLU 37 3.251 -1.888 3.181 216 2HB GLU 37 2HB GLU 37 4.938 -2.077 1.538 217 2HG GLU 37 2HG GLU 37 4.885 0.828 1.103 218 HE2 GLU 37 HE2 GLU 37 2.972 -2.110 -0.443 219 H ASP 38 H ASP 38 3.427 -1.718 5.802 220 HA ASP 38 HA ASP 38 5.844 -3.169 6.366 221 2HB ASP 38 2HB ASP 38 6.730 -1.180 7.177 222 HD2 ASP 38 HD2 ASP 38 5.317 1.220 6.337 223 H LEU 39 H LEU 39 5.606 -4.393 8.475 224 HA LEU 39 HA LEU 39 2.783 -4.591 9.268 225 2HB LEU 39 2HB LEU 39 4.771 -6.850 9.341 226 HG LEU 39 HG LEU 39 1.966 -6.606 10.025 227 1HD1 LEU 39 1HD1 LEU 39 2.471 -7.820 7.469 228 2HD1 LEU 39 2HD1 LEU 39 1.901 -9.053 8.620 229 3HD1 LEU 39 3HD1 LEU 39 0.930 -7.590 8.330 230 1HD2 LEU 39 1HD2 LEU 39 2.330 -8.697 11.117 231 2HD2 LEU 39 2HD2 LEU 39 3.774 -9.031 10.133 232 3HD2 LEU 39 3HD2 LEU 39 3.799 -7.714 11.330 233 H PHE 40 H PHE 40 2.420 -3.879 11.293 234 HA PHE 40 HA PHE 40 4.713 -3.845 13.109 235 2HB PHE 40 2HB PHE 40 3.084 -1.827 12.344 236 HD1 PHE 40 HD1 PHE 40 1.892 -0.743 15.034 237 HD2 PHE 40 HD2 PHE 40 1.073 -4.133 12.618 238 HE1 PHE 40 HE1 PHE 40 -0.469 -0.778 15.884 239 HE2 PHE 40 HE2 PHE 40 -1.288 -4.169 13.468 240 HZ PHE 40 HZ PHE 40 -2.031 -2.491 15.092 241 H PHE 41 H PHE 41 3.053 -6.276 12.475 242 HA PHE 41 HA PHE 41 1.734 -6.623 15.067 243 2HB PHE 41 2HB PHE 41 1.520 -8.740 12.983 244 HD1 PHE 41 HD1 PHE 41 0.498 -9.205 15.461 245 HD2 PHE 41 HD2 PHE 41 -1.207 -6.690 12.499 246 HE1 PHE 41 HE1 PHE 41 -1.760 -9.488 16.521 247 HE2 PHE 41 HE2 PHE 41 -3.465 -6.973 13.558 248 HZ PHE 41 HZ PHE 41 -3.715 -8.369 15.557 249 H CYS 42 H CYS 42 4.670 -7.192 13.492 250 HA CYS 42 HA CYS 42 5.068 -9.701 14.945 251 2HB CYS 42 2HB CYS 42 5.554 -10.098 12.673 252 HG CYS 42 HG CYS 42 5.734 -8.350 11.089 253 H CYS 43 H CYS 43 6.550 -6.498 14.080 254 HA CYS 43 HA CYS 43 8.181 -6.745 16.498 255 2HB CYS 43 2HB CYS 43 9.340 -4.682 15.200 256 HG CYS 43 HG CYS 43 10.145 -7.432 13.791 257 H ASP 44 H ASP 44 6.512 -4.272 14.399 258 HA ASP 44 HA ASP 44 5.348 -2.505 14.868 259 2HB ASP 44 2HB ASP 44 4.329 -4.423 16.558 260 HD2 ASP 44 HD2 ASP 44 5.347 -3.730 19.806 261 H ILE 45 H ILE 45 8.282 -3.007 15.945 262 HA ILE 45 HA ILE 45 8.328 -0.872 17.951 263 HB ILE 45 HB ILE 45 10.168 -3.159 17.313 264 2HG1 ILE 45 2HG1 ILE 45 9.774 -3.845 19.531 265 1HG2 ILE 45 1HG2 ILE 45 10.878 -0.917 19.210 266 2HG2 ILE 45 2HG2 ILE 45 11.893 -2.272 18.660 267 3HG2 ILE 45 3HG2 ILE 45 11.446 -0.976 17.524 268 1HD1 ILE 45 1HD1 ILE 45 9.928 -1.919 20.889 269 2HD1 ILE 45 2HD1 ILE 45 8.750 -1.017 19.906 270 3HD1 ILE 45 3HD1 ILE 45 8.198 -2.324 20.981 271 H CYS 46 H CYS 46 10.319 -2.080 15.155 272 HA CYS 46 HA CYS 46 11.169 0.654 14.718 273 2HB CYS 46 2HB CYS 46 12.775 -1.321 14.720 274 HG CYS 46 HG CYS 46 13.203 -2.677 12.518 275 H ALA 47 H ALA 47 8.680 -1.512 13.808 276 HA ALA 47 HA ALA 47 8.390 -0.298 11.160 277 1HB ALA 47 1HB ALA 47 8.057 -2.506 10.732 278 2HB ALA 47 2HB ALA 47 7.677 -2.880 12.431 279 3HB ALA 47 3HB ALA 47 6.424 -2.195 11.369 280 H ALA 48 H ALA 48 5.965 0.125 10.568 281 HA ALA 48 HA ALA 48 4.006 1.105 10.987 282 1HB ALA 48 1HB ALA 48 2.990 0.464 12.887 283 2HB ALA 48 2HB ALA 48 4.547 -0.200 13.436 284 3HB ALA 48 3HB ALA 48 4.088 1.465 13.867 285 H GLU 49 H GLU 49 5.652 2.729 9.942 286 HA GLU 49 HA GLU 49 6.459 4.800 11.741 287 2HB GLU 49 2HB GLU 49 6.741 5.624 9.011 288 2HG GLU 49 2HG GLU 49 9.216 4.875 9.602 289 HE2 GLU 49 HE2 GLU 49 7.781 6.326 12.281 290 H PHE 50 H PHE 50 5.666 6.987 11.736 291 HA PHE 50 HA PHE 50 2.877 7.144 11.169 292 2HB PHE 50 2HB PHE 50 5.026 9.180 12.019 293 HD1 PHE 50 HD1 PHE 50 1.381 8.443 12.452 294 HD2 PHE 50 HD2 PHE 50 4.402 11.387 11.987 295 HE1 PHE 50 HE1 PHE 50 -0.363 10.246 12.534 296 HE2 PHE 50 HE2 PHE 50 2.657 13.190 12.069 297 HZ PHE 50 HZ PHE 50 0.296 12.598 12.342 298 H MET 51 H MET 51 5.450 7.229 9.100 299 HA MET 51 HA MET 51 5.226 9.570 7.714 300 2HB MET 51 2HB MET 51 6.398 6.939 7.390 301 2HG MET 51 2HG MET 51 5.167 8.089 4.838 302 1HE MET 51 1HE MET 51 7.159 4.066 5.109 303 2HE MET 51 2HE MET 51 7.857 5.143 6.343 304 3HE MET 51 3HE MET 51 6.100 4.858 6.300 305 H ASN 52 H ASN 52 2.881 7.058 8.079 306 HA ASN 52 HA ASN 52 1.545 7.909 5.641 307 2HB ASN 52 2HB ASN 52 0.315 5.838 5.726 308 1HD2 ASN 52 1HD2 ASN 52 2.375 6.129 4.334 309 2HD2 ASN 52 2HD2 ASN 52 3.616 4.941 4.555 310 H MET 53 H MET 53 -1.118 7.408 6.232 311 HA MET 53 HA MET 53 -1.571 9.207 8.478 312 2HB MET 53 2HB MET 53 -2.579 10.248 6.623 313 2HG MET 53 2HG MET 53 -3.914 8.673 4.932 314 1HE MET 53 1HE MET 53 -1.460 6.678 4.363 315 2HE MET 53 2HE MET 53 -1.327 7.373 2.730 316 3HE MET 53 3HE MET 53 0.057 7.452 3.846 317 H MET 54 H MET 54 -3.716 8.844 9.678 318 HA MET 54 HA MET 54 -3.717 6.272 10.697 319 2HB MET 54 2HB MET 54 -4.540 8.454 11.786 320 2HG MET 54 2HG MET 54 -7.189 7.821 10.436 321 1HE MET 54 1HE MET 54 -7.644 7.772 12.752 322 2HE MET 54 2HE MET 54 -7.066 8.948 13.956 323 3HE MET 54 3HE MET 54 -8.674 9.147 13.218 324 H ASP 55 H ASP 55 -5.638 7.828 8.116 325 HA ASP 55 HA ASP 55 -7.768 6.253 7.909 326 2HB ASP 55 2HB ASP 55 -7.379 6.475 5.326 327 HD2 ASP 55 HD2 ASP 55 -9.326 7.558 5.688 328 H GLU 56 H GLU 56 -4.361 5.489 7.095 329 HA GLU 56 HA GLU 56 -4.602 3.331 5.522 330 2HB GLU 56 2HB GLU 56 -2.655 4.137 7.665 331 2HG GLU 56 2HG GLU 56 -2.511 1.797 8.067 332 HE2 GLU 56 HE2 GLU 56 -3.804 0.274 7.564 333 H ALA 57 H ALA 57 -4.734 3.356 9.152 334 HA ALA 57 HA ALA 57 -4.978 0.710 9.651 335 1HB ALA 57 1HB ALA 57 -6.728 1.719 11.455 336 2HB ALA 57 2HB ALA 57 -4.966 1.936 11.584 337 3HB ALA 57 3HB ALA 57 -5.975 3.231 10.895 338 H PHE 58 H PHE 58 -7.436 2.939 8.294 339 HA PHE 58 HA PHE 58 -9.639 1.279 8.560 340 2HB PHE 58 2HB PHE 58 -9.080 3.034 6.125 341 HD1 PHE 58 HD1 PHE 58 -11.309 3.595 9.024 342 HD2 PHE 58 HD2 PHE 58 -11.040 2.408 4.959 343 HE1 PHE 58 HE1 PHE 58 -13.810 3.691 8.830 344 HE2 PHE 58 HE2 PHE 58 -13.541 2.504 4.765 345 HZ PHE 58 HZ PHE 58 -14.895 3.143 6.703 346 H LYS 59 H LYS 59 -6.991 1.343 6.150 347 HA LYS 59 HA LYS 59 -8.062 -0.071 4.104 348 2HB LYS 59 2HB LYS 59 -5.721 -0.944 3.762 349 2HG LYS 59 2HG LYS 59 -5.071 1.820 4.327 350 2HD LYS 59 2HD LYS 59 -5.248 -0.033 2.081 351 2HE LYS 59 2HE LYS 59 -5.706 1.722 0.334 352 1HZ LYS 59 1HZ LYS 59 -7.687 0.619 2.118 353 2HZ LYS 59 2HZ LYS 59 -8.224 1.928 1.312 354 H HIS 60 H HIS 60 -6.506 -1.474 7.073 355 HA HIS 60 HA HIS 60 -6.933 -4.105 6.447 356 2HB HIS 60 2HB HIS 60 -6.095 -2.570 8.695 357 HD1 HIS 60 HD1 HIS 60 -7.622 -6.014 9.278 358 HD2 HIS 60 HD2 HIS 60 -7.843 -2.108 10.790 359 HE1 HIS 60 HE1 HIS 60 -9.054 -6.144 11.387 360 H THR 61 H THR 61 -9.070 -1.897 8.390 361 HA THR 61 HA THR 61 -11.112 -3.689 8.850 362 HB THR 61 HB THR 61 -11.083 -0.660 8.411 363 HG1 THR 61 HG1 THR 61 -11.175 -2.490 10.707 364 1HG2 THR 61 1HG2 THR 61 -13.332 -2.488 8.869 365 2HG2 THR 61 2HG2 THR 61 -13.085 -1.427 10.277 366 3HG2 THR 61 3HG2 THR 61 -13.356 -0.719 8.666 367 H ALA 62 H ALA 62 -10.332 -1.856 5.890 368 HA ALA 62 HA ALA 62 -12.818 -2.603 4.653 369 1HB ALA 62 1HB ALA 62 -10.286 -1.351 3.511 370 2HB ALA 62 2HB ALA 62 -11.876 -1.427 2.714 371 3HB ALA 62 3HB ALA 62 -11.665 -0.453 4.187 372 H ARG 63 H ARG 63 -9.299 -3.402 4.205 373 HA ARG 63 HA ARG 63 -9.815 -5.347 2.295 374 2HB ARG 63 2HB ARG 63 -7.453 -6.052 2.721 375 2HG ARG 63 2HG ARG 63 -8.013 -3.055 2.769 376 2HD ARG 63 2HD ARG 63 -5.673 -2.746 2.017 377 HE ARG 63 HE ARG 63 -6.361 -3.425 4.661 378 1HH1 ARG 63 1HH1 ARG 63 -3.444 -3.547 2.654 379 2HH1 ARG 63 2HH1 ARG 63 -2.364 -3.361 3.995 380 2HH2 ARG 63 2HH2 ARG 63 -3.263 -3.147 6.206 381 H HIS 64 H HIS 64 -10.941 -5.335 5.362 382 HA HIS 64 HA HIS 64 -10.126 -7.908 6.261 383 2HB HIS 64 2HB HIS 64 -12.588 -6.902 7.438 384 HD1 HIS 64 HD1 HIS 64 -12.499 -7.426 9.920 385 HD2 HIS 64 HD2 HIS 64 -8.732 -7.586 8.083 386 HE1 HIS 64 HE1 HIS 64 -10.898 -8.391 11.657 387 H ASN 65 H ASN 65 -13.267 -6.544 5.029 388 HA ASN 65 HA ASN 65 -13.930 -9.282 4.282 389 2HB ASN 65 2HB ASN 65 -15.878 -6.954 4.662 390 1HD2 ASN 65 1HD2 ASN 65 -16.761 -7.932 2.700 391 2HD2 ASN 65 2HD2 ASN 65 -17.776 -9.330 2.822 392 H VAL 66 H VAL 66 -14.449 -5.777 3.417 393 HA VAL 66 HA VAL 66 -14.843 -6.562 0.637 394 HB VAL 66 HB VAL 66 -15.034 -3.757 1.657 395 1HG1 VAL 66 1HG1 VAL 66 -15.558 -5.015 -0.771 396 2HG1 VAL 66 2HG1 VAL 66 -17.169 -4.787 -0.048 397 3HG1 VAL 66 3HG1 VAL 66 -16.092 -3.389 -0.282 398 1HG2 VAL 66 1HG2 VAL 66 -17.614 -4.825 1.915 399 2HG2 VAL 66 2HG2 VAL 66 -16.547 -5.991 2.732 400 3HG2 VAL 66 3HG2 VAL 66 -16.538 -4.281 3.224 401 H ASP 67 H ASP 67 -13.939 -3.985 -0.431 402 HA ASP 67 HA ASP 67 -11.104 -4.135 0.182 403 2HB ASP 67 2HB ASP 67 -10.876 -3.683 -2.432 404 HD2 ASP 67 HD2 ASP 67 -9.062 -6.066 -2.103 405 H GLU 68 H GLU 68 -10.067 -2.057 0.055 406 HA GLU 68 HA GLU 68 -11.660 0.100 -1.038 407 2HB GLU 68 2HB GLU 68 -10.856 1.451 1.089 408 2HG GLU 68 2HG GLU 68 -13.072 -0.632 1.364 409 HE2 GLU 68 HE2 GLU 68 -11.578 2.182 3.058 410 H LEU 69 H LEU 69 -10.413 1.783 -1.952 411 HA LEU 69 HA LEU 69 -7.520 1.570 -1.586 412 2HB LEU 69 2HB LEU 69 -7.304 0.645 -3.577 413 HG LEU 69 HG LEU 69 -9.706 -0.031 -3.674 414 1HD1 LEU 69 1HD1 LEU 69 -10.712 1.801 -5.574 415 2HD1 LEU 69 2HD1 LEU 69 -11.288 1.502 -3.916 416 3HD1 LEU 69 3HD1 LEU 69 -10.072 2.765 -4.220 417 1HD2 LEU 69 1HD2 LEU 69 -9.262 -0.936 -5.655 418 2HD2 LEU 69 2HD2 LEU 69 -9.318 0.644 -6.471 419 3HD2 LEU 69 3HD2 LEU 69 -7.807 0.087 -5.714 420 H HIS 70 H HIS 70 -6.560 3.523 -1.248 421 HA HIS 70 HA HIS 70 -7.962 5.885 -2.188 422 2HB HIS 70 2HB HIS 70 -6.978 5.849 0.650 423 HD1 HIS 70 HD1 HIS 70 -7.333 8.122 1.614 424 HD2 HIS 70 HD2 HIS 70 -9.844 7.395 -1.666 425 HE1 HIS 70 HE1 HIS 70 -8.631 10.283 1.215 426 H ILE 71 H ILE 71 -6.569 7.585 -2.740 427 HA ILE 71 HA ILE 71 -3.744 7.179 -2.100 428 HB ILE 71 HB ILE 71 -3.557 6.335 -4.174 429 2HG1 ILE 71 2HG1 ILE 71 -3.649 9.310 -4.750 430 1HG2 ILE 71 1HG2 ILE 71 -6.001 7.932 -4.977 431 2HG2 ILE 71 2HG2 ILE 71 -5.055 6.916 -6.091 432 3HG2 ILE 71 3HG2 ILE 71 -5.886 6.177 -4.701 433 1HD1 ILE 71 1HD1 ILE 71 -1.384 9.358 -4.165 434 2HD1 ILE 71 2HD1 ILE 71 -2.015 8.189 -2.979 435 3HD1 ILE 71 3HD1 ILE 71 -1.172 7.612 -4.437 436 H ASP 72 H ASP 72 -2.755 9.022 -1.413 437 HA ASP 72 HA ASP 72 -3.962 11.528 -2.195 438 2HB ASP 72 2HB ASP 72 -3.375 12.080 0.428 439 HD2 ASP 72 HD2 ASP 72 -6.165 10.862 -1.540 440 H GLY 73 H GLY 73 -2.361 13.213 -2.322 441 1HA GLY 73 1HA GLY 73 0.347 12.523 -1.371 442 2HA GLY 73 2HA GLY 73 0.077 13.036 -3.024 443 H ASN 74 H ASN 74 1.297 14.186 -0.268 444 HA ASN 74 HA ASN 74 0.425 16.865 -0.909 445 2HB ASN 74 2HB ASN 74 0.664 16.008 2.006 446 1HD2 ASN 74 1HD2 ASN 74 -0.103 17.525 3.413 447 2HD2 ASN 74 2HD2 ASN 74 -0.492 19.154 2.970 448 H TYR 75 H TYR 75 2.153 18.392 -0.593 449 HA TYR 75 HA TYR 75 4.753 17.355 -0.510 450 2HB TYR 75 2HB TYR 75 3.311 20.035 -0.331 451 HD1 TYR 75 HD1 TYR 75 6.658 20.034 -1.654 452 HD2 TYR 75 HD2 TYR 75 4.372 20.710 1.900 453 HE1 TYR 75 HE1 TYR 75 8.587 21.356 -0.656 454 HE2 TYR 75 HE2 TYR 75 6.310 22.030 2.885 455 HH TYR 75 HH TYR 75 8.219 23.316 2.046 456 H GLN 76 H GLN 76 2.517 17.726 2.014 457 HA GLN 76 HA GLN 76 4.650 18.246 3.925 458 2HB GLN 76 2HB GLN 76 2.003 18.123 5.120 459 2HG GLN 76 2HG GLN 76 2.677 20.704 5.336 460 1HE2 GLN 76 1HE2 GLN 76 5.612 19.527 6.255 461 2HE2 GLN 76 2HE2 GLN 76 5.261 18.956 7.852 462 H LEU 77 H LEU 77 2.677 15.775 2.535 463 HA LEU 77 HA LEU 77 2.173 14.073 4.615 464 2HB LEU 77 2HB LEU 77 3.136 12.790 2.153 465 HG LEU 77 HG LEU 77 1.422 11.925 3.965 466 1HD1 LEU 77 1HD1 LEU 77 -0.848 12.399 3.599 467 2HD1 LEU 77 2HD1 LEU 77 -0.040 13.985 3.571 468 3HD1 LEU 77 3HD1 LEU 77 -0.524 13.205 2.045 469 1HD2 LEU 77 1HD2 LEU 77 1.216 10.224 2.548 470 2HD2 LEU 77 2HD2 LEU 77 0.304 11.212 1.379 471 3HD2 LEU 77 3HD2 LEU 77 2.084 11.219 1.353 472 H GLY 78 H GLY 78 5.212 14.415 2.677 473 1HA GLY 78 1HA GLY 78 7.143 14.269 4.394 474 2HA GLY 78 2HA GLY 78 6.560 12.627 4.581 475 H ARG 79 H ARG 79 6.135 14.110 1.421 476 HA ARG 79 HA ARG 79 6.879 13.527 -0.531 477 2HB ARG 79 2HB ARG 79 9.621 13.341 -0.465 478 2HG ARG 79 2HG ARG 79 7.955 15.879 -0.106 479 2HD ARG 79 2HD ARG 79 10.838 15.401 -0.967 480 HE ARG 79 HE ARG 79 9.592 18.044 -1.427 481 1HH1 ARG 79 1HH1 ARG 79 10.726 15.012 -2.869 482 2HH1 ARG 79 2HH1 ARG 79 10.840 15.670 -4.467 483 2HH2 ARG 79 2HH2 ARG 79 10.258 17.966 -4.835 484 H ASN 80 H ASN 80 5.874 11.280 0.547 485 HA ASN 80 HA ASN 80 7.941 9.276 0.082 486 2HB ASN 80 2HB ASN 80 5.861 7.947 1.393 487 1HD2 ASN 80 1HD2 ASN 80 7.910 6.819 1.319 488 2HD2 ASN 80 2HD2 ASN 80 9.062 7.019 2.596 489 H VAL 81 H VAL 81 7.579 8.160 -1.841 490 HA VAL 81 HA VAL 81 4.796 8.011 -2.779 491 HB VAL 81 HB VAL 81 6.162 9.477 -4.149 492 1HG1 VAL 81 1HG1 VAL 81 8.139 8.733 -5.325 493 2HG1 VAL 81 2HG1 VAL 81 8.365 8.453 -3.581 494 3HG1 VAL 81 3HG1 VAL 81 7.969 7.091 -4.658 495 1HG2 VAL 81 1HG2 VAL 81 4.521 8.418 -5.430 496 2HG2 VAL 81 2HG2 VAL 81 6.014 8.102 -6.345 497 3HG2 VAL 81 3HG2 VAL 81 5.315 6.829 -5.317 498 H LEU 82 H LEU 82 4.017 6.003 -2.384 499 HA LEU 82 HA LEU 82 5.835 3.771 -2.961 500 2HB LEU 82 2HB LEU 82 4.878 2.535 -1.126 501 HG LEU 82 HG LEU 82 6.760 4.259 -0.646 502 1HD1 LEU 82 1HD1 LEU 82 4.360 5.651 0.550 503 2HD1 LEU 82 2HD1 LEU 82 6.025 5.937 1.112 504 3HD1 LEU 82 3HD1 LEU 82 5.580 6.300 -0.572 505 1HD2 LEU 82 1HD2 LEU 82 6.304 3.872 1.925 506 2HD2 LEU 82 2HD2 LEU 82 5.020 2.807 1.306 507 3HD2 LEU 82 3HD2 LEU 82 6.714 2.520 0.842 508 H LEU 83 H LEU 83 5.135 2.626 -4.674 509 HA LEU 83 HA LEU 83 2.230 2.577 -5.117 510 2HB LEU 83 2HB LEU 83 4.345 3.491 -6.810 511 HG LEU 83 HG LEU 83 3.004 0.979 -7.722 512 1HD1 LEU 83 1HD1 LEU 83 2.035 2.882 -9.076 513 2HD1 LEU 83 2HD1 LEU 83 3.682 3.182 -9.680 514 3HD1 LEU 83 3HD1 LEU 83 2.887 1.622 -10.000 515 1HD2 LEU 83 1HD2 LEU 83 5.066 0.422 -8.577 516 2HD2 LEU 83 2HD2 LEU 83 5.559 2.118 -8.800 517 3HD2 LEU 83 3HD2 LEU 83 5.528 1.408 -7.168 518 H LYS 84 H LYS 84 1.470 0.623 -4.509 519 HA LYS 84 HA LYS 84 3.085 -1.699 -5.299 520 2HB LYS 84 2HB LYS 84 1.423 -2.170 -2.955 521 2HG LYS 84 2HG LYS 84 3.946 -2.658 -2.158 522 2HD LYS 84 2HD LYS 84 3.759 -4.841 -3.660 523 2HE LYS 84 2HE LYS 84 1.984 -5.724 -2.143 524 1HZ LYS 84 1HZ LYS 84 4.389 -4.760 -1.369 525 2HZ LYS 84 2HZ LYS 84 3.407 -3.995 -0.319 526 H ASN 85 H ASN 85 2.054 -2.938 -6.765 527 HA ASN 85 HA ASN 85 -0.853 -2.718 -6.785 528 2HB ASN 85 2HB ASN 85 -0.782 -2.607 -9.086 529 1HD2 ASN 85 1HD2 ASN 85 2.098 -3.205 -10.270 530 2HD2 ASN 85 2HD2 ASN 85 2.916 -1.688 -10.098 531 H GLY 86 H GLY 86 -1.823 -4.601 -6.019 532 1HA GLY 86 1HA GLY 86 -0.357 -7.144 -6.402 533 2HA GLY 86 2HA GLY 86 -1.322 -6.760 -4.991 534 H GLU 87 H GLU 87 -1.333 -8.418 -7.911 535 HA GLU 87 HA GLU 87 -4.247 -8.302 -7.979 536 2HB GLU 87 2HB GLU 87 -3.306 -7.213 -9.988 537 2HG GLU 87 2HG GLU 87 -2.171 -9.872 -10.875 538 HE2 GLU 87 HE2 GLU 87 -0.002 -8.890 -12.083 539 H ASP 88 H ASP 88 -5.171 -10.224 -7.420 540 HA ASP 88 HA ASP 88 -3.557 -12.602 -7.913 541 2HB ASP 88 2HB ASP 88 -3.776 -12.038 -5.481 542 HD2 ASP 88 HD2 ASP 88 -4.909 -11.654 -3.831 543 H ARG 89 H ARG 89 -4.885 -14.585 -8.391 544 HA ARG 89 HA ARG 89 -7.676 -14.181 -8.796 545 2HB ARG 89 2HB ARG 89 -6.710 -13.272 -10.918 546 2HG ARG 89 2HG ARG 89 -5.688 -15.084 -12.473 547 2HD ARG 89 2HD ARG 89 -3.826 -14.564 -10.157 548 HE ARG 89 HE ARG 89 -2.621 -15.185 -12.107 549 1HH1 ARG 89 1HH1 ARG 89 -4.768 -12.451 -12.786 550 2HH1 ARG 89 2HH1 ARG 89 -4.028 -12.086 -14.309 551 2HH2 ARG 89 2HH2 ARG 89 -2.193 -13.426 -15.072 552 H LEU 90 H LEU 90 -8.812 -16.219 -8.953 553 HA LEU 90 HA LEU 90 -7.258 -18.630 -9.218 554 2HB LEU 90 2HB LEU 90 -8.540 -19.301 -6.935 555 HG LEU 90 HG LEU 90 -5.760 -18.178 -7.272 556 1HD1 LEU 90 1HD1 LEU 90 -7.069 -18.022 -4.872 557 2HD1 LEU 90 2HD1 LEU 90 -6.275 -19.611 -4.759 558 3HD1 LEU 90 3HD1 LEU 90 -5.306 -18.153 -5.080 559 1HD2 LEU 90 1HD2 LEU 90 -5.267 -20.638 -6.611 560 2HD2 LEU 90 2HD2 LEU 90 -6.971 -20.920 -7.042 561 3HD2 LEU 90 3HD2 LEU 90 -5.840 -20.275 -8.257 562 H ARG 91 H ARG 91 -8.955 -20.578 -8.741 563 HA ARG 91 HA ARG 91 -10.819 -20.340 -10.724 564 2HB ARG 91 2HB ARG 91 -9.989 -22.515 -9.889 565 2HG ARG 91 2HG ARG 91 -11.135 -21.478 -7.337 566 2HD ARG 91 2HD ARG 91 -12.667 -23.432 -8.005 567 HE ARG 91 HE ARG 91 -10.057 -24.819 -8.134 568 1HH1 ARG 91 1HH1 ARG 91 -13.582 -25.138 -7.958 569 2HH1 ARG 91 2HH1 ARG 91 -13.585 -26.773 -8.534 570 2HH2 ARG 91 2HH2 ARG 91 -11.506 -27.831 -9.077 571 H PHE 92 H PHE 92 -10.893 -19.235 -7.416 572 HA PHE 92 HA PHE 92 -13.647 -19.384 -6.930 573 2HB PHE 92 2HB PHE 92 -11.222 -17.815 -5.979 574 HD1 PHE 92 HD1 PHE 92 -14.200 -18.234 -3.928 575 HD2 PHE 92 HD2 PHE 92 -11.957 -15.492 -6.264 576 HE1 PHE 92 HE1 PHE 92 -15.453 -16.323 -2.888 577 HE2 PHE 92 HE2 PHE 92 -13.209 -13.582 -5.223 578 HZ PHE 92 HZ PHE 92 -14.943 -14.020 -3.548 579 H TYR 93 H TYR 93 -11.815 -17.450 -9.136 580 HA TYR 93 HA TYR 93 -13.803 -15.313 -9.126 581 2HB TYR 93 2HB TYR 93 -11.742 -15.197 -11.195 582 HD1 TYR 93 HD1 TYR 93 -9.966 -14.054 -8.489 583 HD2 TYR 93 HD2 TYR 93 -13.545 -13.154 -10.652 584 HE1 TYR 93 HE1 TYR 93 -9.861 -11.647 -7.677 585 HE2 TYR 93 HE2 TYR 93 -13.428 -10.749 -9.833 586 HH TYR 93 HH TYR 93 -12.173 -9.706 -7.493 587 H VAL 94 H VAL 94 -14.844 -14.635 -11.143 588 HA VAL 94 HA VAL 94 -15.169 -16.909 -12.977 589 HB VAL 94 HB VAL 94 -17.406 -15.528 -13.377 590 1HG1 VAL 94 1HG1 VAL 94 -18.543 -17.077 -11.873 591 2HG1 VAL 94 2HG1 VAL 94 -17.224 -17.906 -12.733 592 3HG1 VAL 94 3HG1 VAL 94 -17.011 -17.419 -11.033 593 1HG2 VAL 94 1HG2 VAL 94 -16.928 -13.732 -11.822 594 2HG2 VAL 94 2HG2 VAL 94 -18.290 -14.697 -11.205 595 3HG2 VAL 94 3HG2 VAL 94 -16.666 -14.896 -10.501 596 H LYS 95 H LYS 95 -14.875 -13.345 -12.590 597 HA LYS 95 HA LYS 95 -14.611 -13.092 -15.481 598 2HB LYS 95 2HB LYS 95 -16.105 -11.571 -14.134 599 2HG LYS 95 2HG LYS 95 -13.592 -11.174 -12.697 600 2HD LYS 95 2HD LYS 95 -13.674 -9.185 -14.439 601 2HE LYS 95 2HE LYS 95 -15.003 -7.252 -13.457 602 1HZ LYS 95 1HZ LYS 95 -17.234 -8.420 -14.179 603 2HZ LYS 95 2HZ LYS 95 -16.090 -8.095 -15.292 604 H PHE 96 H PHE 96 -12.749 -13.241 -12.502 605 HA PHE 96 HA PHE 96 -10.594 -13.044 -12.065 606 2HB PHE 96 2HB PHE 96 -9.115 -14.010 -13.827 607 HD1 PHE 96 HD1 PHE 96 -9.495 -15.880 -12.284 608 HD2 PHE 96 HD2 PHE 96 -12.228 -15.028 -15.415 609 HE1 PHE 96 HE1 PHE 96 -10.518 -18.157 -12.011 610 HE2 PHE 96 HE2 PHE 96 -13.250 -17.304 -15.144 611 HZ PHE 96 HZ PHE 96 -12.383 -18.841 -13.445 612 H GLY 97 H GLY 97 -11.496 -10.561 -12.191 613 1HA GLY 97 1HA GLY 97 -10.008 -9.048 -14.204 614 2HA GLY 97 2HA GLY 97 -11.217 -8.440 -13.090 615 HA PRO 98 HA PRO 98 -6.860 -8.495 -11.176 616 2HB PRO 98 2HB PRO 98 -5.180 -9.079 -12.639 617 2HG PRO 98 2HG PRO 98 -5.806 -9.111 -14.859 618 2HD PRO 98 2HD PRO 98 -8.070 -9.443 -14.641 619 H GLY 99 H GLY 99 -5.437 -6.647 -10.347 620 1HA GLY 99 1HA GLY 99 -6.958 -4.141 -10.734 621 2HA GLY 99 2HA GLY 99 -6.513 -4.728 -9.144 622 H ALA 100 H ALA 100 -5.366 -3.247 -12.149 623 HA ALA 100 HA ALA 100 -2.624 -3.206 -11.191 624 1HB ALA 100 1HB ALA 100 -2.429 -3.471 -13.437 625 2HB ALA 100 2HB ALA 100 -4.065 -2.842 -13.748 626 3HB ALA 100 3HB ALA 100 -2.710 -1.714 -13.504 627 H VAL 101 H VAL 101 -1.558 -0.855 -11.727 628 HA VAL 101 HA VAL 101 -2.439 0.812 -9.708 629 HB VAL 101 HB VAL 101 -0.728 1.271 -12.151 630 1HG1 VAL 101 1HG1 VAL 101 -1.531 3.446 -11.597 631 2HG1 VAL 101 2HG1 VAL 101 -1.329 3.154 -9.852 632 3HG1 VAL 101 3HG1 VAL 101 0.100 3.313 -10.900 633 1HG2 VAL 101 1HG2 VAL 101 -0.242 -0.200 -9.880 634 2HG2 VAL 101 2HG2 VAL 101 1.004 0.523 -10.926 635 3HG2 VAL 101 3HG2 VAL 101 0.465 1.380 -9.462 636 H ILE 102 H ILE 102 -3.209 0.754 -13.222 637 HA ILE 102 HA ILE 102 -4.532 3.179 -13.356 638 HB ILE 102 HB ILE 102 -4.276 0.750 -14.937 639 2HG1 ILE 102 2HG1 ILE 102 -4.038 2.312 -16.744 640 1HG2 ILE 102 1HG2 ILE 102 -6.887 2.276 -15.057 641 2HG2 ILE 102 2HG2 ILE 102 -6.287 1.211 -16.350 642 3HG2 ILE 102 3HG2 ILE 102 -6.651 0.540 -14.742 643 1HD1 ILE 102 1HD1 ILE 102 -4.505 4.681 -16.534 644 2HD1 ILE 102 2HD1 ILE 102 -5.973 3.806 -16.033 645 3HD1 ILE 102 3HD1 ILE 102 -4.890 4.506 -14.805 646 H LYS 103 H LYS 103 -5.614 -0.045 -12.213 647 HA LYS 103 HA LYS 103 -8.333 0.622 -12.022 648 2HB LYS 103 2HB LYS 103 -7.538 -1.335 -10.061 649 2HG LYS 103 2HG LYS 103 -9.532 -0.952 -11.971 650 2HD LYS 103 2HD LYS 103 -8.715 -3.577 -12.884 651 2HE LYS 103 2HE LYS 103 -10.353 -1.955 -13.963 652 1HZ LYS 103 1HZ LYS 103 -8.100 -0.644 -15.279 653 2HZ LYS 103 2HZ LYS 103 -9.580 -0.052 -14.950 654 H GLU 104 H GLU 104 -5.507 1.117 -9.891 655 HA GLU 104 HA GLU 104 -6.960 1.745 -7.611 656 2HB GLU 104 2HB GLU 104 -4.193 1.797 -8.498 657 2HG GLU 104 2HG GLU 104 -4.838 3.942 -6.452 658 HE2 GLU 104 HE2 GLU 104 -2.512 5.496 -6.808 659 H PHE 105 H PHE 105 -5.857 3.694 -10.420 660 HA PHE 105 HA PHE 105 -6.363 6.207 -9.387 661 2HB PHE 105 2HB PHE 105 -7.053 6.236 -12.133 662 HD1 PHE 105 HD1 PHE 105 -4.087 5.641 -9.961 663 HD2 PHE 105 HD2 PHE 105 -5.712 7.770 -13.253 664 HE1 PHE 105 HE1 PHE 105 -2.020 7.063 -10.063 665 HE2 PHE 105 HE2 PHE 105 -3.645 9.192 -13.354 666 HZ PHE 105 HZ PHE 105 -1.825 8.821 -11.757 667 H LYS 106 H LYS 106 -8.558 3.754 -10.800 668 HA LYS 106 HA LYS 106 -10.737 5.232 -11.417 669 2HB LYS 106 2HB LYS 106 -10.575 2.519 -10.080 670 2HG LYS 106 2HG LYS 106 -12.894 4.093 -11.237 671 2HD LYS 106 2HD LYS 106 -12.816 2.060 -12.613 672 2HE LYS 106 2HE LYS 106 -12.870 0.443 -10.030 673 1HZ LYS 106 1HZ LYS 106 -12.708 -0.156 -12.906 674 2HZ LYS 106 2HZ LYS 106 -12.020 -1.191 -11.854 675 H ILE 107 H ILE 107 -9.299 4.720 -8.245 676 HA ILE 107 HA ILE 107 -11.276 5.021 -6.486 677 HB ILE 107 HB ILE 107 -8.867 4.888 -5.996 678 2HG1 ILE 107 2HG1 ILE 107 -9.004 5.931 -3.906 679 1HG2 ILE 107 1HG2 ILE 107 -8.911 7.700 -7.034 680 2HG2 ILE 107 2HG2 ILE 107 -7.752 7.244 -5.763 681 3HG2 ILE 107 3HG2 ILE 107 -7.741 6.392 -7.326 682 1HD1 ILE 107 1HD1 ILE 107 -10.056 8.156 -5.434 683 2HD1 ILE 107 2HD1 ILE 107 -11.181 7.770 -4.110 684 3HD1 ILE 107 3HD1 ILE 107 -9.477 8.138 -3.750 685 H THR 108 H THR 108 -10.197 7.436 -8.860 686 HA THR 108 HA THR 108 -12.620 8.889 -8.541 687 HB THR 108 HB THR 108 -11.515 9.809 -6.564 688 HG1 THR 108 HG1 THR 108 -12.298 11.137 -8.704 689 1HG2 THR 108 1HG2 THR 108 -9.252 10.101 -6.426 690 2HG2 THR 108 2HG2 THR 108 -9.105 9.379 -8.046 691 3HG2 THR 108 3HG2 THR 108 -9.274 11.142 -7.871 692 H ASP 109 H ASP 109 -9.259 8.712 -9.782 693 HA ASP 109 HA ASP 109 -9.499 10.545 -11.779 694 2HB ASP 109 2HB ASP 109 -8.083 7.933 -12.323 695 HD2 ASP 109 HD2 ASP 109 -7.847 9.014 -14.451 Start of MODEL 20 1 1H MET 1 1H MET 1 8.781 16.358 -4.508 2 HA MET 1 HA MET 1 6.160 15.595 -5.195 3 2HB MET 1 2HB MET 1 8.210 14.003 -6.527 4 2HG MET 1 2HG MET 1 6.949 16.560 -7.589 5 1HE MET 1 1HE MET 1 5.474 14.549 -9.949 6 2HE MET 1 2HE MET 1 6.004 16.245 -10.057 7 3HE MET 1 3HE MET 1 6.622 15.045 -11.216 8 H SER 2 H SER 2 5.230 14.293 -3.561 9 HA SER 2 HA SER 2 6.457 11.661 -3.382 10 2HB SER 2 2HB SER 2 6.549 11.684 -1.108 11 HG SER 2 HG SER 2 7.122 14.057 -1.908 12 H GLU 3 H GLU 3 4.996 9.947 -3.614 13 HA GLU 3 HA GLU 3 2.186 10.592 -3.382 14 2HB GLU 3 2HB GLU 3 2.541 10.953 -5.737 15 2HG GLU 3 2HG GLU 3 3.423 8.436 -6.725 16 HE2 GLU 3 HE2 GLU 3 4.984 10.343 -8.844 17 H VAL 4 H VAL 4 1.208 9.037 -2.157 18 HA VAL 4 HA VAL 4 2.484 6.389 -2.142 19 HB VAL 4 HB VAL 4 1.308 8.079 0.046 20 1HG1 VAL 4 1HG1 VAL 4 0.298 5.703 -0.040 21 2HG1 VAL 4 2HG1 VAL 4 1.920 5.149 0.438 22 3HG1 VAL 4 3HG1 VAL 4 1.012 6.258 1.493 23 1HG2 VAL 4 1HG2 VAL 4 3.477 6.947 1.121 24 2HG2 VAL 4 2HG2 VAL 4 3.945 6.833 -0.592 25 3HG2 VAL 4 3HG2 VAL 4 3.567 8.418 0.124 26 H ASN 5 H ASN 5 1.261 4.894 -3.160 27 HA ASN 5 HA ASN 5 -1.600 5.067 -2.732 28 2HB ASN 5 2HB ASN 5 -1.828 5.785 -4.910 29 1HD2 ASN 5 1HD2 ASN 5 -0.509 7.338 -5.547 30 2HD2 ASN 5 2HD2 ASN 5 1.048 7.134 -6.278 31 H ILE 6 H ILE 6 -2.184 3.061 -1.890 32 HA ILE 6 HA ILE 6 -0.904 0.697 -3.027 33 HB ILE 6 HB ILE 6 -0.506 1.737 -0.343 34 2HG1 ILE 6 2HG1 ILE 6 0.752 -0.378 -2.094 35 1HG2 ILE 6 1HG2 ILE 6 -2.296 0.205 0.259 36 2HG2 ILE 6 2HG2 ILE 6 -1.482 -1.119 -0.606 37 3HG2 ILE 6 3HG2 ILE 6 -0.728 -0.405 0.839 38 1HD1 ILE 6 1HD1 ILE 6 1.074 2.460 -1.710 39 2HD1 ILE 6 2HD1 ILE 6 2.525 1.642 -1.081 40 3HD1 ILE 6 3HD1 ILE 6 2.012 1.375 -2.764 41 H VAL 7 H VAL 7 -2.326 -0.970 -3.381 42 HA VAL 7 HA VAL 7 -4.878 -0.895 -1.991 43 HB VAL 7 HB VAL 7 -4.508 -0.637 -4.971 44 1HG1 VAL 7 1HG1 VAL 7 -6.835 -1.766 -3.423 45 2HG1 VAL 7 2HG1 VAL 7 -7.097 -0.901 -4.956 46 3HG1 VAL 7 3HG1 VAL 7 -6.078 -2.359 -4.920 47 1HG2 VAL 7 1HG2 VAL 7 -4.750 1.510 -4.208 48 2HG2 VAL 7 2HG2 VAL 7 -6.465 1.073 -4.394 49 3HG2 VAL 7 3HG2 VAL 7 -5.702 1.020 -2.787 50 H VAL 8 H VAL 8 -5.738 -2.951 -1.663 51 HA VAL 8 HA VAL 8 -4.204 -5.138 -2.888 52 HB VAL 8 HB VAL 8 -5.242 -4.865 -0.062 53 1HG1 VAL 8 1HG1 VAL 8 -3.931 -7.248 -1.413 54 2HG1 VAL 8 2HG1 VAL 8 -4.283 -7.109 0.327 55 3HG1 VAL 8 3HG1 VAL 8 -5.617 -7.143 -0.852 56 1HG2 VAL 8 1HG2 VAL 8 -3.231 -3.932 0.271 57 2HG2 VAL 8 2HG2 VAL 8 -2.557 -5.559 0.015 58 3HG2 VAL 8 3HG2 VAL 8 -2.648 -4.409 -1.341 59 H ASN 9 H ASN 9 -5.455 -6.317 -4.232 60 HA ASN 9 HA ASN 9 -8.305 -6.345 -3.616 61 2HB ASN 9 2HB ASN 9 -7.102 -7.001 -6.339 62 1HD2 ASN 9 1HD2 ASN 9 -9.374 -4.484 -5.835 63 2HD2 ASN 9 2HD2 ASN 9 -10.815 -5.309 -6.327 64 H GLY 10 H GLY 10 -8.816 -8.335 -2.680 65 1HA GLY 10 1HA GLY 10 -9.192 -10.648 -3.071 66 2HA GLY 10 2HA GLY 10 -7.659 -10.752 -3.915 67 H ARG 11 H ARG 11 -7.625 -8.722 -1.074 68 HA ARG 11 HA ARG 11 -6.344 -8.885 0.693 69 2HB ARG 11 2HB ARG 11 -7.281 -10.291 2.406 70 2HG ARG 11 2HG ARG 11 -9.287 -9.699 0.199 71 2HD ARG 11 2HD ARG 11 -11.070 -10.130 1.916 72 HE ARG 11 HE ARG 11 -10.006 -12.028 0.320 73 1HH1 ARG 11 1HH1 ARG 11 -10.866 -12.220 3.751 74 2HH1 ARG 11 2HH1 ARG 11 -11.205 -13.918 3.699 75 2HH2 ARG 11 2HH2 ARG 11 -10.954 -15.102 1.631 76 H GLU 12 H GLU 12 -4.740 -9.721 -1.339 77 HA GLU 12 HA GLU 12 -3.488 -12.119 -0.245 78 2HB GLU 12 2HB GLU 12 -4.401 -12.642 -2.440 79 2HG GLU 12 2HG GLU 12 -3.413 -9.927 -3.061 80 HE2 GLU 12 HE2 GLU 12 -3.632 -12.849 -4.822 81 H ALA 13 H ALA 13 -1.231 -12.060 0.090 82 HA ALA 13 HA ALA 13 0.127 -9.596 -0.714 83 1HB ALA 13 1HB ALA 13 1.194 -9.937 1.739 84 2HB ALA 13 2HB ALA 13 -0.240 -8.921 1.450 85 3HB ALA 13 3HB ALA 13 -0.434 -10.585 2.051 86 H GLY 14 H GLY 14 2.365 -9.870 -1.120 87 1HA GLY 14 1HA GLY 14 3.652 -12.377 -0.518 88 2HA GLY 14 2HA GLY 14 3.237 -12.193 -2.210 89 H SER 15 H SER 15 4.141 -9.565 0.095 90 HA SER 15 HA SER 15 6.590 -9.253 -1.452 91 2HB SER 15 2HB SER 15 5.273 -7.468 -2.261 92 HG SER 15 HG SER 15 4.232 -7.415 0.399 93 H LYS 16 H LYS 16 7.966 -7.375 -0.091 94 HA LYS 16 HA LYS 16 8.438 -8.665 2.429 95 2HB LYS 16 2HB LYS 16 10.286 -7.990 0.955 96 2HG LYS 16 2HG LYS 16 9.816 -5.110 1.734 97 2HD LYS 16 2HD LYS 16 11.825 -6.460 0.358 98 2HE LYS 16 2HE LYS 16 11.407 -5.196 -1.979 99 1HZ LYS 16 1HZ LYS 16 10.432 -7.371 -2.754 100 2HZ LYS 16 2HZ LYS 16 11.810 -7.535 -1.903 101 H SER 17 H SER 17 5.914 -6.939 1.693 102 HA SER 17 HA SER 17 6.164 -4.777 3.526 103 2HB SER 17 2HB SER 17 4.725 -4.809 1.408 104 HG SER 17 HG SER 17 2.940 -6.273 3.161 105 H LYS 18 H LYS 18 6.168 -7.960 4.115 106 HA LYS 18 HA LYS 18 4.066 -8.002 6.118 107 2HB LYS 18 2HB LYS 18 4.877 -10.396 6.384 108 2HG LYS 18 2HG LYS 18 3.827 -9.299 3.745 109 2HD LYS 18 2HD LYS 18 3.761 -12.223 4.596 110 2HE LYS 18 2HE LYS 18 3.442 -12.336 1.977 111 1HZ LYS 18 1HZ LYS 18 1.355 -11.351 3.844 112 2HZ LYS 18 2HZ LYS 18 1.019 -11.894 2.346 113 H GLY 19 H GLY 19 7.458 -7.301 5.767 114 1HA GLY 19 1HA GLY 19 8.145 -7.924 8.507 115 2HA GLY 19 2HA GLY 19 9.155 -7.172 7.289 116 H CYS 20 H CYS 20 9.874 -5.478 8.684 117 HA CYS 20 HA CYS 20 7.793 -3.729 9.719 118 2HB CYS 20 2HB CYS 20 9.539 -2.707 11.062 119 HG CYS 20 HG CYS 20 10.264 -4.541 12.693 120 H ALA 21 H ALA 21 8.166 -1.304 9.388 121 HA ALA 21 HA ALA 21 8.413 -0.751 6.656 122 1HB ALA 21 1HB ALA 21 8.785 1.636 8.141 123 2HB ALA 21 2HB ALA 21 7.269 1.012 7.449 124 3HB ALA 21 3HB ALA 21 7.721 0.600 9.121 125 H LEU 22 H LEU 22 10.636 -0.207 9.466 126 HA LEU 22 HA LEU 22 12.636 1.068 8.022 127 2HB LEU 22 2HB LEU 22 13.895 -0.359 10.053 128 HG LEU 22 HG LEU 22 13.601 1.674 11.454 129 1HD1 LEU 22 1HD1 LEU 22 14.345 2.698 8.751 130 2HD1 LEU 22 2HD1 LEU 22 15.181 2.859 10.315 131 3HD1 LEU 22 3HD1 LEU 22 15.261 1.324 9.418 132 1HD2 LEU 22 1HD2 LEU 22 11.349 2.303 10.793 133 2HD2 LEU 22 2HD2 LEU 22 12.481 3.646 10.502 134 3HD2 LEU 22 3HD2 LEU 22 11.908 2.655 9.140 135 H CYS 23 H CYS 23 12.373 -2.433 8.971 136 HA CYS 23 HA CYS 23 13.705 -3.074 6.474 137 2HB CYS 23 2HB CYS 23 15.561 -2.912 8.049 138 HG CYS 23 HG CYS 23 13.378 -3.849 9.961 139 H GLY 24 H GLY 24 13.327 -5.379 5.883 140 1HA GLY 24 1HA GLY 24 10.983 -6.488 7.309 141 2HA GLY 24 2HA GLY 24 11.248 -6.596 5.579 142 H ALA 25 H ALA 25 12.046 -7.913 8.744 143 HA ALA 25 HA ALA 25 13.808 -9.877 7.450 144 1HB ALA 25 1HB ALA 25 14.294 -10.252 10.058 145 2HB ALA 25 2HB ALA 25 15.127 -8.991 9.119 146 3HB ALA 25 3HB ALA 25 13.735 -8.564 10.143 147 H THR 26 H THR 26 10.888 -9.303 9.419 148 HA THR 26 HA THR 26 10.431 -12.195 9.553 149 HB THR 26 HB THR 26 9.390 -9.744 11.031 150 HG1 THR 26 HG1 THR 26 10.072 -11.432 12.741 151 1HG2 THR 26 1HG2 THR 26 7.943 -11.370 12.316 152 2HG2 THR 26 2HG2 THR 26 7.380 -11.135 10.644 153 3HG2 THR 26 3HG2 THR 26 8.289 -12.602 11.080 154 H TRP 27 H TRP 27 8.789 -13.231 8.507 155 HA TRP 27 HA TRP 27 7.095 -11.511 6.827 156 2HB TRP 27 2HB TRP 27 7.529 -12.684 4.962 157 HD1 TRP 27 HD1 TRP 27 9.823 -11.015 5.102 158 HE1 TRP 27 HE1 TRP 27 12.397 -11.593 5.089 159 HE3 TRP 27 HE3 TRP 27 9.274 -15.871 6.507 160 HZ2 TRP 27 HZ2 TRP 27 13.882 -13.963 5.656 161 HZ3 TRP 27 HZ3 TRP 27 11.338 -17.248 6.754 162 HH2 TRP 27 HH2 TRP 27 13.582 -16.368 6.354 163 H GLY 28 H GLY 28 4.910 -12.306 6.539 164 1HA GLY 28 1HA GLY 28 3.909 -14.720 7.442 165 2HA GLY 28 2HA GLY 28 3.871 -13.642 8.824 166 H ASP 29 H ASP 29 1.837 -14.842 6.663 167 HA ASP 29 HA ASP 29 0.688 -12.363 5.763 168 2HB ASP 29 2HB ASP 29 0.046 -15.305 5.331 169 HD2 ASP 29 HD2 ASP 29 -3.054 -14.786 3.943 170 H TYR 30 H TYR 30 0.716 -14.177 8.584 171 HA TYR 30 HA TYR 30 -2.092 -14.208 9.164 172 2HB TYR 30 2HB TYR 30 -0.322 -14.340 11.475 173 HD1 TYR 30 HD1 TYR 30 -1.237 -15.896 12.931 174 HD2 TYR 30 HD2 TYR 30 -1.580 -16.565 8.719 175 HE1 TYR 30 HE1 TYR 30 -2.636 -17.974 13.367 176 HE2 TYR 30 HE2 TYR 30 -2.977 -18.640 9.170 177 HH TYR 30 HH TYR 30 -3.025 -20.307 11.499 178 H HIS 31 H HIS 31 0.057 -11.685 8.843 179 HA HIS 31 HA HIS 31 -1.201 -10.221 11.049 180 2HB HIS 31 2HB HIS 31 0.743 -8.789 11.103 181 HD1 HIS 31 HD1 HIS 31 3.518 -10.586 10.677 182 HD2 HIS 31 HD2 HIS 31 0.066 -11.531 12.867 183 HE1 HIS 31 HE1 HIS 31 4.225 -12.314 12.418 184 H ALA 32 H ALA 32 -1.320 -7.740 10.502 185 HA ALA 32 HA ALA 32 -2.398 -7.563 7.774 186 1HB ALA 32 1HB ALA 32 -4.112 -6.276 8.606 187 2HB ALA 32 2HB ALA 32 -3.758 -7.225 10.070 188 3HB ALA 32 3HB ALA 32 -3.107 -5.578 9.899 189 H ASP 33 H ASP 33 -1.459 -6.158 6.356 190 HA ASP 33 HA ASP 33 0.756 -4.636 7.403 191 2HB ASP 33 2HB ASP 33 0.975 -6.115 5.355 192 HD2 ASP 33 HD2 ASP 33 0.842 -3.691 3.319 193 H PHE 34 H PHE 34 1.036 -2.330 6.396 194 HA PHE 34 HA PHE 34 -1.608 -1.065 6.257 195 2HB PHE 34 2HB PHE 34 -0.160 0.969 6.994 196 HD1 PHE 34 HD1 PHE 34 -2.178 0.626 8.473 197 HD2 PHE 34 HD2 PHE 34 1.464 -1.468 9.072 198 HE1 PHE 34 HE1 PHE 34 -2.874 0.090 10.824 199 HE2 PHE 34 HE2 PHE 34 0.768 -2.004 11.424 200 HZ PHE 34 HZ PHE 34 -1.392 -1.219 12.272 201 H LEU 35 H LEU 35 -1.242 1.304 5.146 202 HA LEU 35 HA LEU 35 -0.813 0.744 2.446 203 2HB LEU 35 2HB LEU 35 -0.733 3.396 2.454 204 HG LEU 35 HG LEU 35 -3.329 3.269 3.133 205 1HD1 LEU 35 1HD1 LEU 35 -2.377 3.905 0.947 206 2HD1 LEU 35 2HD1 LEU 35 -2.215 2.181 0.534 207 3HD1 LEU 35 3HD1 LEU 35 -3.829 2.885 0.795 208 1HD2 LEU 35 1HD2 LEU 35 -4.332 1.185 2.884 209 2HD2 LEU 35 2HD2 LEU 35 -2.888 0.465 2.132 210 3HD2 LEU 35 3HD2 LEU 35 -2.895 0.834 3.873 211 H GLY 36 H GLY 36 1.376 1.501 5.057 212 1HA GLY 36 1HA GLY 36 3.475 2.465 3.289 213 2HA GLY 36 2HA GLY 36 3.538 2.284 5.031 214 H GLU 37 H GLU 37 2.366 -0.286 2.826 215 HA GLU 37 HA GLU 37 2.971 -2.434 2.931 216 2HB GLU 37 2HB GLU 37 4.005 -1.319 0.892 217 2HG GLU 37 2HG GLU 37 6.707 -1.818 2.106 218 HE2 GLU 37 HE2 GLU 37 8.195 -0.561 0.860 219 H ASP 38 H ASP 38 3.195 -1.874 5.506 220 HA ASP 38 HA ASP 38 5.760 -3.045 6.197 221 2HB ASP 38 2HB ASP 38 6.139 -0.805 6.863 222 HD2 ASP 38 HD2 ASP 38 3.582 -1.198 9.015 223 H LEU 39 H LEU 39 5.604 -3.937 8.593 224 HA LEU 39 HA LEU 39 2.839 -4.646 9.241 225 2HB LEU 39 2HB LEU 39 4.850 -6.762 9.646 226 HG LEU 39 HG LEU 39 3.167 -8.260 9.083 227 1HD1 LEU 39 1HD1 LEU 39 0.982 -7.090 10.106 228 2HD1 LEU 39 2HD1 LEU 39 2.362 -7.619 11.099 229 3HD1 LEU 39 3HD1 LEU 39 2.209 -5.911 10.627 230 1HD2 LEU 39 1HD2 LEU 39 0.950 -7.198 8.023 231 2HD2 LEU 39 2HD2 LEU 39 2.148 -6.056 7.367 232 3HD2 LEU 39 3HD2 LEU 39 2.306 -7.798 7.037 233 H PHE 40 H PHE 40 2.399 -3.969 11.263 234 HA PHE 40 HA PHE 40 4.680 -3.652 13.069 235 2HB PHE 40 2HB PHE 40 2.705 -1.902 12.261 236 HD1 PHE 40 HD1 PHE 40 2.095 -1.365 15.574 237 HD2 PHE 40 HD2 PHE 40 0.716 -3.817 12.397 238 HE1 PHE 40 HE1 PHE 40 -0.110 -1.635 16.741 239 HE2 PHE 40 HE2 PHE 40 -1.489 -4.088 13.564 240 HZ PHE 40 HZ PHE 40 -1.876 -2.994 15.722 241 H PHE 41 H PHE 41 3.000 -6.185 12.378 242 HA PHE 41 HA PHE 41 1.894 -6.672 15.038 243 2HB PHE 41 2HB PHE 41 1.756 -8.680 12.797 244 HD1 PHE 41 HD1 PHE 41 1.064 -9.820 15.040 245 HD2 PHE 41 HD2 PHE 41 -1.206 -6.787 13.128 246 HE1 PHE 41 HE1 PHE 41 -0.982 -10.565 16.288 247 HE2 PHE 41 HE2 PHE 41 -3.253 -7.533 14.376 248 HZ PHE 41 HZ PHE 41 -3.116 -9.412 15.942 249 H CYS 42 H CYS 42 4.827 -6.924 13.497 250 HA CYS 42 HA CYS 42 5.410 -9.517 14.720 251 2HB CYS 42 2HB CYS 42 6.261 -9.924 12.678 252 HG CYS 42 HG CYS 42 6.802 -6.678 12.327 253 H CYS 43 H CYS 43 6.662 -6.146 14.182 254 HA CYS 43 HA CYS 43 8.233 -6.478 16.629 255 2HB CYS 43 2HB CYS 43 9.390 -4.332 15.662 256 HG CYS 43 HG CYS 43 9.607 -7.283 14.168 257 H ASP 44 H ASP 44 6.446 -3.959 14.689 258 HA ASP 44 HA ASP 44 5.093 -2.365 15.263 259 2HB ASP 44 2HB ASP 44 4.319 -4.471 16.905 260 HD2 ASP 44 HD2 ASP 44 2.663 -3.261 19.011 261 H ILE 45 H ILE 45 8.072 -2.667 16.306 262 HA ILE 45 HA ILE 45 7.941 -0.645 18.422 263 HB ILE 45 HB ILE 45 10.075 -2.623 17.630 264 2HG1 ILE 45 2HG1 ILE 45 7.930 -3.160 19.097 265 1HG2 ILE 45 1HG2 ILE 45 10.898 -0.278 18.304 266 2HG2 ILE 45 2HG2 ILE 45 10.315 -0.696 19.933 267 3HG2 ILE 45 3HG2 ILE 45 11.571 -1.689 19.155 268 1HD1 ILE 45 1HD1 ILE 45 9.153 -4.944 20.082 269 2HD1 ILE 45 2HD1 ILE 45 10.070 -4.562 18.605 270 3HD1 ILE 45 3HD1 ILE 45 10.644 -3.979 20.186 271 H CYS 46 H CYS 46 10.034 -1.527 15.578 272 HA CYS 46 HA CYS 46 10.658 1.281 15.287 273 2HB CYS 46 2HB CYS 46 12.491 -0.341 15.150 274 HG CYS 46 HG CYS 46 11.165 -1.216 12.263 275 H ALA 47 H ALA 47 8.296 -0.975 14.290 276 HA ALA 47 HA ALA 47 7.891 0.351 11.713 277 1HB ALA 47 1HB ALA 47 6.285 -1.996 12.705 278 2HB ALA 47 2HB ALA 47 6.770 -1.573 11.045 279 3HB ALA 47 3HB ALA 47 7.964 -2.254 12.174 280 H ALA 48 H ALA 48 5.472 0.741 11.170 281 HA ALA 48 HA ALA 48 3.483 1.621 11.650 282 1HB ALA 48 1HB ALA 48 3.519 1.737 14.548 283 2HB ALA 48 2HB ALA 48 2.478 0.773 13.472 284 3HB ALA 48 3HB ALA 48 4.057 0.135 13.989 285 H GLU 49 H GLU 49 5.085 3.385 10.768 286 HA GLU 49 HA GLU 49 5.792 5.321 12.752 287 2HB GLU 49 2HB GLU 49 6.382 6.604 10.477 288 2HG GLU 49 2HG GLU 49 7.835 4.140 11.547 289 HE2 GLU 49 HE2 GLU 49 8.044 3.921 9.212 290 H PHE 50 H PHE 50 4.858 7.403 13.020 291 HA PHE 50 HA PHE 50 2.100 7.530 12.338 292 2HB PHE 50 2HB PHE 50 3.584 8.435 14.386 293 HD1 PHE 50 HD1 PHE 50 2.494 11.605 13.916 294 HD2 PHE 50 HD2 PHE 50 5.714 9.119 12.710 295 HE1 PHE 50 HE1 PHE 50 3.920 13.636 13.533 296 HE2 PHE 50 HE2 PHE 50 7.139 11.149 12.327 297 HZ PHE 50 HZ PHE 50 6.225 13.384 12.744 298 H MET 51 H MET 51 4.804 8.036 10.461 299 HA MET 51 HA MET 51 4.172 10.521 9.313 300 2HB MET 51 2HB MET 51 5.646 8.311 7.834 301 2HG MET 51 2HG MET 51 5.378 10.883 7.169 302 1HE MET 51 1HE MET 51 8.350 11.670 6.814 303 2HE MET 51 2HE MET 51 8.877 12.832 8.054 304 3HE MET 51 3HE MET 51 9.286 11.108 8.220 305 H ASN 52 H ASN 52 2.464 7.642 9.264 306 HA ASN 52 HA ASN 52 1.643 7.979 6.502 307 2HB ASN 52 2HB ASN 52 0.234 5.804 7.306 308 1HD2 ASN 52 1HD2 ASN 52 0.659 4.414 5.779 309 2HD2 ASN 52 2HD2 ASN 52 2.184 4.130 5.008 310 H MET 53 H MET 53 -0.935 7.418 6.314 311 HA MET 53 HA MET 53 -2.192 9.346 8.047 312 2HB MET 53 2HB MET 53 -3.399 7.764 5.715 313 2HG MET 53 2HG MET 53 -4.315 9.950 7.454 314 1HE MET 53 1HE MET 53 -4.873 10.362 3.016 315 2HE MET 53 2HE MET 53 -3.131 10.259 3.368 316 3HE MET 53 3HE MET 53 -4.230 8.974 3.926 317 H MET 54 H MET 54 -4.325 8.885 9.073 318 HA MET 54 HA MET 54 -4.203 6.517 10.524 319 2HB MET 54 2HB MET 54 -5.276 8.575 11.382 320 2HG MET 54 2HG MET 54 -7.775 8.773 10.223 321 1HE MET 54 1HE MET 54 -8.340 10.645 10.608 322 2HE MET 54 2HE MET 54 -7.182 11.697 11.458 323 3HE MET 54 3HE MET 54 -7.782 12.154 9.846 324 H ASP 55 H ASP 55 -5.953 7.470 7.557 325 HA ASP 55 HA ASP 55 -7.833 5.479 7.533 326 2HB ASP 55 2HB ASP 55 -6.689 6.019 4.875 327 HD2 ASP 55 HD2 ASP 55 -8.620 4.737 4.639 328 H GLU 56 H GLU 56 -4.360 5.541 6.640 329 HA GLU 56 HA GLU 56 -4.096 3.376 5.092 330 2HB GLU 56 2HB GLU 56 -1.811 3.149 6.023 331 2HG GLU 56 2HG GLU 56 -1.045 5.313 5.456 332 HE2 GLU 56 HE2 GLU 56 -1.353 5.914 3.248 333 H ALA 57 H ALA 57 -4.439 3.431 8.688 334 HA ALA 57 HA ALA 57 -4.077 0.667 9.036 335 1HB ALA 57 1HB ALA 57 -5.817 2.310 10.857 336 2HB ALA 57 2HB ALA 57 -4.558 1.118 11.259 337 3HB ALA 57 3HB ALA 57 -4.099 2.743 10.694 338 H PHE 58 H PHE 58 -6.990 2.750 8.542 339 HA PHE 58 HA PHE 58 -8.939 0.893 8.951 340 2HB PHE 58 2HB PHE 58 -8.821 2.896 6.627 341 HD1 PHE 58 HD1 PHE 58 -10.744 2.421 5.413 342 HD2 PHE 58 HD2 PHE 58 -10.960 2.493 9.650 343 HE1 PHE 58 HE1 PHE 58 -13.239 2.176 5.290 344 HE2 PHE 58 HE2 PHE 58 -13.455 2.249 9.528 345 HZ PHE 58 HZ PHE 58 -14.566 2.094 7.350 346 H LYS 59 H LYS 59 -6.861 1.370 6.053 347 HA LYS 59 HA LYS 59 -8.174 -0.103 4.202 348 2HB LYS 59 2HB LYS 59 -5.210 0.110 4.775 349 2HG LYS 59 2HG LYS 59 -5.816 -1.931 3.373 350 2HD LYS 59 2HD LYS 59 -7.837 -0.757 2.292 351 2HE LYS 59 2HE LYS 59 -6.411 1.327 1.700 352 1HZ LYS 59 1HZ LYS 59 -5.175 -0.674 0.047 353 2HZ LYS 59 2HZ LYS 59 -5.656 0.618 -0.819 354 H HIS 60 H HIS 60 -5.899 -1.382 6.726 355 HA HIS 60 HA HIS 60 -5.964 -3.999 6.089 356 2HB HIS 60 2HB HIS 60 -5.490 -2.408 8.494 357 HD1 HIS 60 HD1 HIS 60 -6.317 -2.898 10.787 358 HD2 HIS 60 HD2 HIS 60 -6.339 -6.316 8.354 359 HE1 HIS 60 HE1 HIS 60 -7.211 -4.801 12.234 360 H THR 61 H THR 61 -8.340 -2.293 8.248 361 HA THR 61 HA THR 61 -9.999 -4.560 8.531 362 HB THR 61 HB THR 61 -9.714 -2.067 9.716 363 HG1 THR 61 HG1 THR 61 -11.825 -4.083 9.555 364 1HG2 THR 61 1HG2 THR 61 -12.018 -1.055 9.506 365 2HG2 THR 61 2HG2 THR 61 -11.075 -0.900 8.004 366 3HG2 THR 61 3HG2 THR 61 -12.339 -2.147 8.137 367 H ALA 62 H ALA 62 -9.812 -1.942 6.117 368 HA ALA 62 HA ALA 62 -12.326 -2.419 4.966 369 1HB ALA 62 1HB ALA 62 -10.113 -1.493 3.217 370 2HB ALA 62 2HB ALA 62 -11.692 -0.748 3.556 371 3HB ALA 62 3HB ALA 62 -10.350 -0.550 4.708 372 H ARG 63 H ARG 63 -9.005 -3.666 4.234 373 HA ARG 63 HA ARG 63 -10.128 -5.379 2.236 374 2HB ARG 63 2HB ARG 63 -7.887 -4.263 1.942 375 2HG ARG 63 2HG ARG 63 -7.426 -5.536 4.539 376 2HD ARG 63 2HD ARG 63 -5.130 -5.856 2.581 377 HE ARG 63 HE ARG 63 -5.308 -7.656 4.829 378 1HH1 ARG 63 1HH1 ARG 63 -4.568 -4.281 4.042 379 2HH1 ARG 63 2HH1 ARG 63 -3.546 -4.054 5.421 380 2HH2 ARG 63 2HH2 ARG 63 -3.202 -5.875 6.940 381 H HIS 64 H HIS 64 -10.408 -5.507 5.429 382 HA HIS 64 HA HIS 64 -9.329 -8.130 5.919 383 2HB HIS 64 2HB HIS 64 -10.865 -6.138 7.594 384 HD1 HIS 64 HD1 HIS 64 -11.863 -6.931 9.751 385 HD2 HIS 64 HD2 HIS 64 -9.337 -9.799 8.023 386 HE1 HIS 64 HE1 HIS 64 -12.056 -9.020 11.203 387 H ASN 65 H ASN 65 -12.565 -6.533 5.624 388 HA ASN 65 HA ASN 65 -13.663 -9.218 5.345 389 2HB ASN 65 2HB ASN 65 -15.863 -7.579 5.708 390 1HD2 ASN 65 1HD2 ASN 65 -17.071 -8.629 7.097 391 2HD2 ASN 65 2HD2 ASN 65 -16.533 -9.659 8.380 392 H VAL 66 H VAL 66 -14.250 -5.746 4.369 393 HA VAL 66 HA VAL 66 -15.333 -6.695 1.835 394 HB VAL 66 HB VAL 66 -15.211 -3.819 2.624 395 1HG1 VAL 66 1HG1 VAL 66 -16.587 -5.461 0.699 396 2HG1 VAL 66 2HG1 VAL 66 -17.774 -4.632 1.734 397 3HG1 VAL 66 3HG1 VAL 66 -16.553 -3.688 0.849 398 1HG2 VAL 66 1HG2 VAL 66 -17.351 -4.140 3.924 399 2HG2 VAL 66 2HG2 VAL 66 -17.008 -5.887 3.924 400 3HG2 VAL 66 3HG2 VAL 66 -15.883 -4.759 4.718 401 H ASP 67 H ASP 67 -14.648 -4.134 0.481 402 HA ASP 67 HA ASP 67 -11.765 -4.454 0.309 403 2HB ASP 67 2HB ASP 67 -12.988 -3.816 -2.277 404 HD2 ASP 67 HD2 ASP 67 -12.769 -6.526 -2.979 405 H GLU 68 H GLU 68 -10.705 -2.432 0.130 406 HA GLU 68 HA GLU 68 -12.279 -0.179 -0.749 407 2HB GLU 68 2HB GLU 68 -10.772 -0.105 1.898 408 2HG GLU 68 2HG GLU 68 -11.981 1.909 0.156 409 HE2 GLU 68 HE2 GLU 68 -14.463 2.775 0.900 410 H LEU 69 H LEU 69 -11.022 1.442 -1.757 411 HA LEU 69 HA LEU 69 -8.124 1.069 -1.636 412 2HB LEU 69 2HB LEU 69 -8.081 0.199 -3.656 413 HG LEU 69 HG LEU 69 -10.007 0.131 -5.249 414 1HD1 LEU 69 1HD1 LEU 69 -9.476 -1.461 -3.131 415 2HD1 LEU 69 2HD1 LEU 69 -11.148 -0.979 -2.753 416 3HD1 LEU 69 3HD1 LEU 69 -10.778 -1.766 -4.307 417 1HD2 LEU 69 1HD2 LEU 69 -11.013 2.210 -3.707 418 2HD2 LEU 69 2HD2 LEU 69 -11.872 1.315 -4.984 419 3HD2 LEU 69 3HD2 LEU 69 -12.039 0.819 -3.282 420 H HIS 70 H HIS 70 -7.036 2.965 -1.371 421 HA HIS 70 HA HIS 70 -8.341 5.407 -2.220 422 2HB HIS 70 2HB HIS 70 -7.976 4.581 0.603 423 HD1 HIS 70 HD1 HIS 70 -6.581 5.842 2.231 424 HD2 HIS 70 HD2 HIS 70 -7.655 8.205 -1.065 425 HE1 HIS 70 HE1 HIS 70 -5.518 8.130 2.615 426 H ILE 71 H ILE 71 -6.867 7.021 -2.815 427 HA ILE 71 HA ILE 71 -4.053 6.448 -2.261 428 HB ILE 71 HB ILE 71 -3.449 6.884 -4.562 429 2HG1 ILE 71 2HG1 ILE 71 -6.059 7.965 -4.761 430 1HG2 ILE 71 1HG2 ILE 71 -3.636 4.721 -5.067 431 2HG2 ILE 71 2HG2 ILE 71 -4.572 4.563 -3.561 432 3HG2 ILE 71 3HG2 ILE 71 -5.413 4.794 -5.113 433 1HD1 ILE 71 1HD1 ILE 71 -4.853 7.825 -7.336 434 2HD1 ILE 71 2HD1 ILE 71 -4.796 9.185 -6.188 435 3HD1 ILE 71 3HD1 ILE 71 -3.517 7.945 -6.165 436 H ASP 72 H ASP 72 -2.933 8.231 -1.614 437 HA ASP 72 HA ASP 72 -4.020 10.803 -2.355 438 2HB ASP 72 2HB ASP 72 -3.770 9.694 0.436 439 HD2 ASP 72 HD2 ASP 72 -3.500 13.655 0.643 440 H GLY 73 H GLY 73 -2.330 12.392 -2.543 441 1HA GLY 73 1HA GLY 73 0.367 11.547 -1.690 442 2HA GLY 73 2HA GLY 73 0.067 12.076 -3.334 443 H ASN 74 H ASN 74 1.453 13.154 -0.629 444 HA ASN 74 HA ASN 74 0.688 15.877 -1.229 445 2HB ASN 74 2HB ASN 74 -0.105 16.361 0.875 446 1HD2 ASN 74 1HD2 ASN 74 0.531 13.920 2.889 447 2HD2 ASN 74 2HD2 ASN 74 -0.823 12.871 2.630 448 H TYR 75 H TYR 75 2.505 17.314 -1.034 449 HA TYR 75 HA TYR 75 5.059 16.075 -0.974 450 2HB TYR 75 2HB TYR 75 5.732 18.514 -1.231 451 HD1 TYR 75 HD1 TYR 75 2.251 18.827 -2.341 452 HD2 TYR 75 HD2 TYR 75 6.180 17.546 -3.448 453 HE1 TYR 75 HE1 TYR 75 1.550 18.762 -4.785 454 HE2 TYR 75 HE2 TYR 75 5.465 17.486 -5.887 455 HH TYR 75 HH TYR 75 3.226 17.167 -7.097 456 H GLN 76 H GLN 76 2.947 16.802 1.532 457 HA GLN 76 HA GLN 76 5.144 17.526 3.299 458 2HB GLN 76 2HB GLN 76 3.100 17.986 4.905 459 2HG GLN 76 2HG GLN 76 2.700 20.203 3.406 460 1HE2 GLN 76 1HE2 GLN 76 5.140 21.534 3.361 461 2HE2 GLN 76 2HE2 GLN 76 5.802 21.613 4.960 462 H LEU 77 H LEU 77 3.255 14.907 2.219 463 HA LEU 77 HA LEU 77 2.589 13.477 4.430 464 2HB LEU 77 2HB LEU 77 3.808 12.404 1.883 465 HG LEU 77 HG LEU 77 2.017 11.146 3.961 466 1HD1 LEU 77 1HD1 LEU 77 2.185 9.385 1.778 467 2HD1 LEU 77 2HD1 LEU 77 0.744 10.231 2.392 468 3HD1 LEU 77 3HD1 LEU 77 1.721 10.964 1.097 469 1HD2 LEU 77 1HD2 LEU 77 4.272 10.612 4.355 470 2HD2 LEU 77 2HD2 LEU 77 3.601 9.202 3.499 471 3HD2 LEU 77 3HD2 LEU 77 4.612 10.378 2.623 472 H GLY 78 H GLY 78 5.748 13.102 2.663 473 1HA GLY 78 1HA GLY 78 7.503 13.433 4.687 474 2HA GLY 78 2HA GLY 78 6.912 11.808 4.971 475 H ARG 79 H ARG 79 7.150 13.316 1.723 476 HA ARG 79 HA ARG 79 8.149 12.641 -0.080 477 2HB ARG 79 2HB ARG 79 10.741 11.899 1.154 478 2HG ARG 79 2HG ARG 79 11.267 14.173 -0.130 479 2HD ARG 79 2HD ARG 79 11.146 12.844 -2.351 480 HE ARG 79 HE ARG 79 12.988 12.640 -0.373 481 1HH1 ARG 79 1HH1 ARG 79 11.424 10.101 -2.286 482 2HH1 ARG 79 2HH1 ARG 79 12.769 9.015 -2.174 483 2HH2 ARG 79 2HH2 ARG 79 14.722 9.688 -0.958 484 H ASN 80 H ASN 80 6.615 10.574 0.725 485 HA ASN 80 HA ASN 80 8.387 8.262 0.615 486 2HB ASN 80 2HB ASN 80 5.619 7.614 1.311 487 1HD2 ASN 80 1HD2 ASN 80 5.944 7.206 3.994 488 2HD2 ASN 80 2HD2 ASN 80 7.231 6.087 4.299 489 H VAL 81 H VAL 81 8.312 7.196 -1.370 490 HA VAL 81 HA VAL 81 5.874 7.559 -2.972 491 HB VAL 81 HB VAL 81 7.349 7.247 -4.928 492 1HG1 VAL 81 1HG1 VAL 81 6.753 9.493 -4.324 493 2HG1 VAL 81 2HG1 VAL 81 8.002 9.544 -3.057 494 3HG1 VAL 81 3HG1 VAL 81 8.475 9.487 -4.772 495 1HG2 VAL 81 1HG2 VAL 81 9.819 7.547 -4.590 496 2HG2 VAL 81 2HG2 VAL 81 9.554 7.310 -2.845 497 3HG2 VAL 81 3HG2 VAL 81 9.177 5.999 -3.989 498 H LEU 82 H LEU 82 4.645 5.751 -2.842 499 HA LEU 82 HA LEU 82 6.080 3.195 -3.013 500 2HB LEU 82 2HB LEU 82 4.415 2.216 -1.535 501 HG LEU 82 HG LEU 82 6.273 4.256 -0.614 502 1HD1 LEU 82 1HD1 LEU 82 5.022 4.100 1.761 503 2HD1 LEU 82 2HD1 LEU 82 4.801 5.447 0.619 504 3HD1 LEU 82 3HD1 LEU 82 3.608 4.128 0.681 505 1HD2 LEU 82 1HD2 LEU 82 6.543 1.763 -0.532 506 2HD2 LEU 82 2HD2 LEU 82 6.857 2.604 1.004 507 3HD2 LEU 82 3HD2 LEU 82 5.323 1.734 0.764 508 H LEU 83 H LEU 83 5.593 2.117 -4.842 509 HA LEU 83 HA LEU 83 2.993 2.729 -6.067 510 2HB LEU 83 2HB LEU 83 5.666 2.111 -7.323 511 HG LEU 83 HG LEU 83 2.931 2.246 -8.593 512 1HD1 LEU 83 1HD1 LEU 83 5.042 2.290 -10.553 513 2HD1 LEU 83 2HD1 LEU 83 3.648 3.379 -10.359 514 3HD1 LEU 83 3HD1 LEU 83 5.165 3.709 -9.488 515 1HD2 LEU 83 1HD2 LEU 83 3.326 0.041 -8.615 516 2HD2 LEU 83 2HD2 LEU 83 4.422 0.411 -9.968 517 3HD2 LEU 83 3HD2 LEU 83 5.070 0.245 -8.317 518 H LYS 84 H LYS 84 1.591 1.105 -5.659 519 HA LYS 84 HA LYS 84 2.658 -1.620 -5.906 520 2HB LYS 84 2HB LYS 84 0.407 -0.980 -4.021 521 2HG LYS 84 2HG LYS 84 2.093 -3.262 -4.738 522 2HD LYS 84 2HD LYS 84 2.967 -2.070 -2.378 523 2HE LYS 84 2HE LYS 84 0.630 -2.772 -1.450 524 1HZ LYS 84 1HZ LYS 84 0.587 -5.114 -0.769 525 2HZ LYS 84 2HZ LYS 84 0.634 -5.016 -2.394 526 H ASN 85 H ASN 85 1.762 -2.690 -7.579 527 HA ASN 85 HA ASN 85 -0.853 -1.732 -8.438 528 2HB ASN 85 2HB ASN 85 -0.253 -2.293 -10.695 529 1HD2 ASN 85 1HD2 ASN 85 -0.002 0.026 -9.685 530 2HD2 ASN 85 2HD2 ASN 85 1.539 0.775 -9.939 531 H GLY 86 H GLY 86 -2.441 -3.208 -7.821 532 1HA GLY 86 1HA GLY 86 -1.695 -6.071 -7.755 533 2HA GLY 86 2HA GLY 86 -2.858 -5.310 -6.686 534 H GLU 87 H GLU 87 -2.461 -7.080 -9.569 535 HA GLU 87 HA GLU 87 -5.162 -6.327 -10.374 536 2HB GLU 87 2HB GLU 87 -4.596 -6.544 -12.674 537 2HG GLU 87 2HG GLU 87 -1.944 -5.471 -11.718 538 HE2 GLU 87 HE2 GLU 87 -2.047 -4.053 -14.847 539 H ASP 88 H ASP 88 -6.607 -7.973 -10.126 540 HA ASP 88 HA ASP 88 -5.721 -10.640 -10.709 541 2HB ASP 88 2HB ASP 88 -7.289 -10.757 -8.272 542 HD2 ASP 88 HD2 ASP 88 -3.767 -11.343 -9.293 543 H ARG 89 H ARG 89 -7.641 -12.110 -10.988 544 HA ARG 89 HA ARG 89 -10.176 -10.721 -10.924 545 2HB ARG 89 2HB ARG 89 -9.585 -10.417 -13.233 546 2HG ARG 89 2HG ARG 89 -7.758 -12.380 -12.936 547 2HD ARG 89 2HD ARG 89 -9.952 -13.708 -14.595 548 HE ARG 89 HE ARG 89 -8.071 -14.940 -15.210 549 1HH1 ARG 89 1HH1 ARG 89 -7.741 -14.044 -11.798 550 2HH1 ARG 89 2HH1 ARG 89 -6.286 -14.955 -11.570 551 2HH2 ARG 89 2HH2 ARG 89 -5.369 -16.181 -13.414 552 H LEU 90 H LEU 90 -12.056 -12.256 -10.984 553 HA LEU 90 HA LEU 90 -11.289 -15.033 -10.473 554 2HB LEU 90 2HB LEU 90 -13.328 -14.676 -8.706 555 HG LEU 90 HG LEU 90 -10.365 -14.371 -8.152 556 1HD1 LEU 90 1HD1 LEU 90 -10.746 -13.988 -5.996 557 2HD1 LEU 90 2HD1 LEU 90 -12.434 -13.639 -6.439 558 3HD1 LEU 90 3HD1 LEU 90 -11.973 -15.274 -5.906 559 1HD2 LEU 90 1HD2 LEU 90 -10.565 -16.712 -7.356 560 2HD2 LEU 90 2HD2 LEU 90 -12.246 -16.738 -7.940 561 3HD2 LEU 90 3HD2 LEU 90 -10.906 -16.524 -9.094 562 H ARG 91 H ARG 91 -13.522 -16.358 -10.296 563 HA ARG 91 HA ARG 91 -14.688 -15.981 -12.816 564 2HB ARG 91 2HB ARG 91 -14.400 -18.225 -11.793 565 2HG ARG 91 2HG ARG 91 -16.671 -17.497 -9.900 566 2HD ARG 91 2HD ARG 91 -15.123 -19.522 -8.789 567 HE ARG 91 HE ARG 91 -17.738 -19.306 -9.492 568 1HH1 ARG 91 1HH1 ARG 91 -15.355 -21.806 -10.288 569 2HH1 ARG 91 2HH1 ARG 91 -16.536 -23.067 -10.414 570 2HH2 ARG 91 2HH2 ARG 91 -18.847 -22.552 -10.041 571 H PHE 92 H PHE 92 -15.383 -14.845 -9.574 572 HA PHE 92 HA PHE 92 -18.176 -14.448 -9.975 573 2HB PHE 92 2HB PHE 92 -16.579 -12.804 -8.020 574 HD1 PHE 92 HD1 PHE 92 -18.666 -11.754 -7.429 575 HD2 PHE 92 HD2 PHE 92 -18.251 -15.972 -7.224 576 HE1 PHE 92 HE1 PHE 92 -20.787 -11.898 -6.096 577 HE2 PHE 92 HE2 PHE 92 -20.373 -16.116 -5.891 578 HZ PHE 92 HZ PHE 92 -21.616 -14.077 -5.343 579 H TYR 93 H TYR 93 -15.346 -12.871 -11.118 580 HA TYR 93 HA TYR 93 -16.768 -10.314 -11.357 581 2HB TYR 93 2HB TYR 93 -14.291 -9.709 -12.093 582 HD1 TYR 93 HD1 TYR 93 -14.175 -7.921 -10.600 583 HD2 TYR 93 HD2 TYR 93 -14.612 -11.888 -9.056 584 HE1 TYR 93 HE1 TYR 93 -13.911 -7.036 -8.231 585 HE2 TYR 93 HE2 TYR 93 -14.347 -10.988 -6.692 586 HH TYR 93 HH TYR 93 -13.097 -8.038 -6.016 587 H VAL 94 H VAL 94 -17.622 -9.742 -13.292 588 HA VAL 94 HA VAL 94 -16.731 -11.287 -15.621 589 HB VAL 94 HB VAL 94 -19.110 -11.457 -14.866 590 1HG1 VAL 94 1HG1 VAL 94 -20.552 -9.450 -15.636 591 2HG1 VAL 94 2HG1 VAL 94 -19.702 -9.334 -14.077 592 3HG1 VAL 94 3HG1 VAL 94 -19.046 -8.509 -15.511 593 1HG2 VAL 94 1HG2 VAL 94 -19.806 -10.468 -17.382 594 2HG2 VAL 94 2HG2 VAL 94 -18.085 -10.895 -17.535 595 3HG2 VAL 94 3HG2 VAL 94 -19.261 -12.119 -16.997 596 H LYS 95 H LYS 95 -16.795 -8.158 -14.076 597 HA LYS 95 HA LYS 95 -16.215 -6.826 -16.608 598 2HB LYS 95 2HB LYS 95 -16.357 -5.338 -14.026 599 2HG LYS 95 2HG LYS 95 -17.999 -4.575 -16.370 600 2HD LYS 95 2HD LYS 95 -15.730 -3.124 -14.931 601 2HE LYS 95 2HE LYS 95 -16.711 -2.266 -17.199 602 1HZ LYS 95 1HZ LYS 95 -19.060 -2.395 -15.590 603 2HZ LYS 95 2HZ LYS 95 -18.813 -0.868 -16.097 604 H PHE 96 H PHE 96 -14.823 -7.561 -13.363 605 HA PHE 96 HA PHE 96 -12.769 -7.153 -12.562 606 2HB PHE 96 2HB PHE 96 -12.623 -9.334 -13.757 607 HD1 PHE 96 HD1 PHE 96 -10.273 -7.905 -16.069 608 HD2 PHE 96 HD2 PHE 96 -14.262 -9.297 -15.675 609 HE1 PHE 96 HE1 PHE 96 -10.447 -8.111 -18.565 610 HE2 PHE 96 HE2 PHE 96 -14.437 -9.503 -18.170 611 HZ PHE 96 HZ PHE 96 -12.528 -8.907 -19.585 612 H GLY 97 H GLY 97 -13.703 -4.779 -13.853 613 1HA GLY 97 1HA GLY 97 -11.623 -3.817 -15.614 614 2HA GLY 97 2HA GLY 97 -13.014 -2.939 -15.011 615 HA PRO 98 HA PRO 98 -10.693 -1.418 -11.628 616 2HB PRO 98 2HB PRO 98 -12.476 -0.943 -10.250 617 2HG PRO 98 2HG PRO 98 -14.300 -2.326 -10.524 618 2HD PRO 98 2HD PRO 98 -13.955 -3.035 -12.683 619 H GLY 99 H GLY 99 -8.803 -2.597 -12.402 620 1HA GLY 99 1HA GLY 99 -7.715 -4.105 -10.153 621 2HA GLY 99 2HA GLY 99 -7.863 -4.958 -11.676 622 H ALA 100 H ALA 100 -7.429 -1.533 -12.056 623 HA ALA 100 HA ALA 100 -4.546 -1.944 -12.462 624 1HB ALA 100 1HB ALA 100 -4.645 -0.989 -14.557 625 2HB ALA 100 2HB ALA 100 -6.261 -1.734 -14.513 626 3HB ALA 100 3HB ALA 100 -6.071 0.000 -14.160 627 H VAL 101 H VAL 101 -3.237 0.031 -12.196 628 HA VAL 101 HA VAL 101 -3.884 1.408 -9.887 629 HB VAL 101 HB VAL 101 -1.705 1.091 -11.526 630 1HG1 VAL 101 1HG1 VAL 101 -1.257 3.833 -11.553 631 2HG1 VAL 101 2HG1 VAL 101 -1.608 2.806 -12.965 632 3HG1 VAL 101 3HG1 VAL 101 -2.928 3.674 -12.145 633 1HG2 VAL 101 1HG2 VAL 101 -1.611 3.257 -9.463 634 2HG2 VAL 101 2HG2 VAL 101 -2.089 1.621 -8.949 635 3HG2 VAL 101 3HG2 VAL 101 -0.512 1.883 -9.733 636 H ILE 102 H ILE 102 -4.571 2.101 -13.324 637 HA ILE 102 HA ILE 102 -5.258 4.773 -13.063 638 HB ILE 102 HB ILE 102 -6.205 2.611 -14.939 639 2HG1 ILE 102 2HG1 ILE 102 -3.771 3.241 -14.929 640 1HG2 ILE 102 1HG2 ILE 102 -7.477 5.063 -14.497 641 2HG2 ILE 102 2HG2 ILE 102 -6.494 5.304 -15.962 642 3HG2 ILE 102 3HG2 ILE 102 -7.676 3.975 -15.890 643 1HD1 ILE 102 1HD1 ILE 102 -3.747 2.786 -17.154 644 2HD1 ILE 102 2HD1 ILE 102 -5.524 2.832 -17.076 645 3HD1 ILE 102 3HD1 ILE 102 -4.616 4.289 -17.543 646 H LYS 103 H LYS 103 -7.305 1.793 -12.772 647 HA LYS 103 HA LYS 103 -9.679 3.128 -12.244 648 2HB LYS 103 2HB LYS 103 -10.229 0.878 -11.072 649 2HG LYS 103 2HG LYS 103 -10.431 -0.240 -13.255 650 2HD LYS 103 2HD LYS 103 -11.745 1.381 -14.388 651 2HE LYS 103 2HE LYS 103 -12.830 2.740 -12.628 652 1HZ LYS 103 1HZ LYS 103 -13.418 0.480 -12.429 653 2HZ LYS 103 2HZ LYS 103 -11.963 0.018 -11.859 654 H GLU 104 H GLU 104 -7.045 2.001 -10.048 655 HA GLU 104 HA GLU 104 -8.286 2.535 -7.683 656 2HB GLU 104 2HB GLU 104 -5.986 2.739 -6.742 657 2HG GLU 104 2HG GLU 104 -5.077 0.584 -7.651 658 HE2 GLU 104 HE2 GLU 104 -8.695 1.074 -6.406 659 H PHE 105 H PHE 105 -6.547 4.755 -9.918 660 HA PHE 105 HA PHE 105 -6.512 6.963 -8.207 661 2HB PHE 105 2HB PHE 105 -6.751 7.863 -10.888 662 HD1 PHE 105 HD1 PHE 105 -5.454 9.366 -9.176 663 HD2 PHE 105 HD2 PHE 105 -3.856 5.858 -10.948 664 HE1 PHE 105 HE1 PHE 105 -3.130 10.182 -8.692 665 HE2 PHE 105 HE2 PHE 105 -1.531 6.673 -10.465 666 HZ PHE 105 HZ PHE 105 -1.196 8.824 -9.342 667 H LYS 106 H LYS 106 -8.991 5.640 -10.426 668 HA LYS 106 HA LYS 106 -10.622 7.807 -10.722 669 2HB LYS 106 2HB LYS 106 -11.525 4.946 -10.283 670 2HG LYS 106 2HG LYS 106 -12.672 7.141 -12.063 671 2HD LYS 106 2HD LYS 106 -13.140 4.704 -12.629 672 2HE LYS 106 2HE LYS 106 -13.985 4.767 -9.759 673 1HZ LYS 106 1HZ LYS 106 -15.881 4.202 -11.729 674 2HZ LYS 106 2HZ LYS 106 -15.452 2.766 -11.094 675 H ILE 107 H ILE 107 -9.951 5.894 -7.826 676 HA ILE 107 HA ILE 107 -12.225 6.546 -6.358 677 HB ILE 107 HB ILE 107 -9.422 5.729 -5.692 678 2HG1 ILE 107 2HG1 ILE 107 -12.095 4.399 -5.170 679 1HG2 ILE 107 1HG2 ILE 107 -10.069 7.308 -3.930 680 2HG2 ILE 107 2HG2 ILE 107 -11.564 6.383 -3.651 681 3HG2 ILE 107 3HG2 ILE 107 -9.982 5.637 -3.322 682 1HD1 ILE 107 1HD1 ILE 107 -10.027 3.986 -7.378 683 2HD1 ILE 107 2HD1 ILE 107 -11.380 2.880 -7.037 684 3HD1 ILE 107 3HD1 ILE 107 -11.705 4.541 -7.592 685 H THR 108 H THR 108 -9.712 8.542 -7.598 686 HA THR 108 HA THR 108 -10.681 10.733 -5.911 687 HB THR 108 HB THR 108 -8.241 9.485 -5.451 688 HG1 THR 108 HG1 THR 108 -9.559 11.247 -4.328 689 1HG2 THR 108 1HG2 THR 108 -7.223 10.310 -7.552 690 2HG2 THR 108 2HG2 THR 108 -7.818 11.953 -7.218 691 3HG2 THR 108 3HG2 THR 108 -6.565 11.231 -6.179 692 H ASP 109 H ASP 109 -8.694 9.794 -8.789 693 HA ASP 109 HA ASP 109 -8.510 12.083 -10.068 694 2HB ASP 109 2HB ASP 109 -9.383 10.442 -12.141 695 HD2 ASP 109 HD2 ASP 109 -5.878 11.529 -11.156
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