NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9786 | 1opp | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 1H THR 1 -20.413 -10.727 -10.727 2 2H THR 1 2H THR 1 -21.820 -9.930 -9.930 3 3H THR 1 3H THR 1 -20.452 -9.860 -9.860 4 HA THR 1 HA THR 1 -19.264 -8.566 -8.566 5 HB THR 1 HB THR 1 -21.090 -7.470 -7.470 6 HG1 THR 1 HG1 THR 1 -20.915 -5.511 -5.511 7 1HG2 THR 1 3HG2 THR 1 -22.627 -7.189 -7.189 8 2HG2 THR 1 1HG2 THR 1 -23.018 -6.331 -6.331 9 3HG2 THR 1 2HG2 THR 1 -23.211 -8.081 -8.081 10 HA PRO 2 HA PRO 2 -19.606 -9.066 -9.066 11 1HB PRO 2 1HB PRO 2 -19.154 -6.070 -6.070 12 2HB PRO 2 2HB PRO 2 -18.285 -7.429 -7.429 13 1HG PRO 2 1HG PRO 2 -17.162 -6.298 -6.298 14 2HG PRO 2 2HG PRO 2 -17.104 -8.125 -8.125 15 1HD PRO 2 1HD PRO 2 -18.903 -6.360 -6.360 16 2HD PRO 2 2HD PRO 2 -18.004 -7.907 -7.907 17 H ASP 3 H ASP 3 -20.217 -7.330 -7.330 18 HA ASP 3 HA ASP 3 -23.153 -7.261 -7.261 19 1HB ASP 3 1HB ASP 3 -21.535 -7.266 -7.266 20 2HB ASP 3 2HB ASP 3 -21.417 -5.538 -5.538 21 H VAL 4 H VAL 4 -23.908 -6.287 -6.287 22 HA VAL 4 HA VAL 4 -22.951 -3.515 -3.515 23 HB VAL 4 HB VAL 4 -23.526 -4.988 -4.988 24 1HG1 VAL 4 1HG2 VAL 4 -26.385 -5.407 -5.407 25 2HG1 VAL 4 2HG2 VAL 4 -25.802 -5.957 -5.957 26 3HG1 VAL 4 3HG2 VAL 4 -25.116 -6.648 -6.648 27 1HG2 VAL 4 2HG1 VAL 4 -24.266 -2.592 -2.592 28 2HG2 VAL 4 3HG1 VAL 4 -25.252 -3.744 -3.744 29 3HG2 VAL 4 1HG1 VAL 4 -25.898 -3.003 -3.003 30 H SER 5 H SER 5 -23.335 -2.333 -2.333 31 HA SER 5 HA SER 5 -25.746 -0.913 -0.913 32 1HB SER 5 1HB SER 5 -27.141 -2.798 -2.798 33 2HB SER 5 2HB SER 5 -25.939 -3.613 -3.613 34 HG SER 5 HG SER 5 -27.308 -2.755 -2.755 35 H SER 6 H SER 6 -23.198 -2.636 -2.636 36 HA SER 6 HA SER 6 -22.319 0.047 0.047 37 1HB SER 6 1HB SER 6 -22.349 -2.274 -2.274 38 2HB SER 6 2HB SER 6 -22.192 -0.559 -0.559 39 HG SER 6 HG SER 6 -24.543 -1.795 -1.795 40 H ALA 7 H ALA 7 -21.322 -1.215 -1.215 41 HA ALA 7 HA ALA 7 -18.922 -2.790 -2.790 42 1HB ALA 7 2HB ALA 7 -20.304 -3.854 -3.854 43 2HB ALA 7 3HB ALA 7 -20.041 -2.438 -2.438 44 3HB ALA 7 1HB ALA 7 -18.676 -3.491 -3.491 45 H LEU 8 H LEU 8 -19.879 0.124 0.124 46 HA LEU 8 HA LEU 8 -17.123 1.074 1.074 47 1HB LEU 8 1HB LEU 8 -19.535 2.030 2.030 48 2HB LEU 8 2HB LEU 8 -19.440 2.952 2.952 49 HG LEU 8 HG LEU 8 -18.669 4.005 4.005 50 1HD1 LEU 8 2HD1 LEU 8 -18.548 5.147 5.147 51 2HD1 LEU 8 3HD1 LEU 8 -16.987 4.361 4.361 52 3HD1 LEU 8 1HD1 LEU 8 -17.128 5.536 5.536 53 1HD2 LEU 8 2HD2 LEU 8 -16.068 2.533 2.533 54 2HD2 LEU 8 3HD2 LEU 8 -16.980 2.318 2.318 55 3HD2 LEU 8 1HD2 LEU 8 -16.159 3.851 3.851 56 H ASP 9 H ASP 9 -19.149 0.953 0.953 57 HA ASP 9 HA ASP 9 -17.858 2.875 2.875 58 1HB ASP 9 1HB ASP 9 -19.800 1.647 1.647 59 2HB ASP 9 2HB ASP 9 -19.029 0.098 0.098 60 H LYS 10 H LYS 10 -16.768 -0.384 -0.384 61 HA LYS 10 HA LYS 10 -14.638 -0.402 -0.402 62 1HB LYS 10 1HB LYS 10 -15.693 -2.304 -2.304 63 2HB LYS 10 2HB LYS 10 -14.284 -1.898 -1.898 64 1HG LYS 10 1HG LYS 10 -12.991 -2.221 -2.221 65 2HG LYS 10 2HG LYS 10 -14.418 -3.186 -3.186 66 1HD LYS 10 1HD LYS 10 -12.994 -3.712 -3.712 67 2HD LYS 10 2HD LYS 10 -12.122 -4.141 -4.141 68 1HE LYS 10 1HE LYS 10 -14.626 -5.155 -5.155 69 2HE LYS 10 2HE LYS 10 -14.702 -5.346 -5.346 70 1HZ LYS 10 1HZ LYS 10 -12.289 -6.266 -6.266 71 2HZ LYS 10 2HZ LYS 10 -12.826 -6.561 -6.561 72 3HZ LYS 10 3HZ LYS 10 -13.633 -7.243 -7.243 73 H LEU 11 H LEU 11 -14.801 0.787 0.787 74 HA LEU 11 HA LEU 11 -11.863 1.067 1.067 75 1HB LEU 11 1HB LEU 11 -14.156 2.450 2.450 76 2HB LEU 11 2HB LEU 11 -12.470 2.500 2.500 77 HG LEU 11 HG LEU 11 -14.021 0.880 0.880 78 1HD1 LEU 11 2HD1 LEU 11 -11.515 0.813 0.813 79 2HD1 LEU 11 3HD1 LEU 11 -11.427 -0.268 -0.268 80 3HD1 LEU 11 1HD1 LEU 11 -12.200 -0.820 -0.820 81 1HD2 LEU 11 2HD2 LEU 11 -13.699 -0.811 -0.811 82 2HD2 LEU 11 3HD2 LEU 11 -15.222 -0.204 -0.204 83 3HD2 LEU 11 1HD2 LEU 11 -14.296 -1.434 -1.434 84 H LYS 12 H LYS 12 -14.285 2.997 2.997 85 HA LYS 12 HA LYS 12 -12.409 5.347 5.347 86 1HB LYS 12 1HB LYS 12 -15.259 4.748 4.748 87 2HB LYS 12 2HB LYS 12 -14.514 5.546 5.546 88 1HG LYS 12 1HG LYS 12 -15.249 7.417 7.417 89 2HG LYS 12 2HG LYS 12 -13.574 7.289 7.289 90 1HD LYS 12 1HD LYS 12 -15.169 5.608 5.608 91 2HD LYS 12 2HD LYS 12 -16.088 7.106 7.106 92 1HE LYS 12 1HE LYS 12 -13.414 8.054 8.054 93 2HE LYS 12 2HE LYS 12 -13.481 6.724 6.724 94 1HZ LYS 12 2HZ LYS 12 -15.672 7.707 7.707 95 2HZ LYS 12 3HZ LYS 12 -15.284 9.072 9.072 96 3HZ LYS 12 1HZ LYS 12 -14.291 8.594 8.594 97 H GLU 13 H GLU 13 -10.762 3.693 3.693 98 HA GLU 13 HA GLU 13 -10.108 3.901 3.901 99 1HB GLU 13 1HB GLU 13 -12.268 2.912 2.912 100 2HB GLU 13 2HB GLU 13 -12.088 1.596 1.596 101 1HG GLU 13 1HG GLU 13 -11.742 0.983 0.983 102 2HG GLU 13 2HG GLU 13 -10.488 0.418 0.418 103 H PHE 14 H PHE 14 -10.538 0.633 0.633 104 HA PHE 14 HA PHE 14 -7.888 -0.164 -0.164 105 1HB PHE 14 1HB PHE 14 -9.518 -1.763 -1.763 106 2HB PHE 14 2HB PHE 14 -10.362 -0.667 -0.667 107 HD1 PHE 14 HD1 PHE 14 -8.822 0.139 0.139 108 HD2 PHE 14 HD2 PHE 14 -8.422 -3.552 -3.552 109 HE1 PHE 14 HE1 PHE 14 -7.903 -0.941 -0.941 110 HE2 PHE 14 HE2 PHE 14 -7.507 -4.630 -4.630 111 HZ PHE 14 HZ PHE 14 -7.266 -3.332 -3.332 112 H GLY 15 H GLY 15 -9.184 2.457 2.457 113 1HA GLY 15 1HA GLY 15 -6.874 2.300 2.300 114 2HA GLY 15 2HA GLY 15 -8.098 3.585 3.585 115 H ASN 16 H ASN 16 -7.936 4.406 4.406 116 HA ASN 16 HA ASN 16 -5.657 6.133 6.133 117 1HB ASN 16 1HB ASN 16 -7.324 6.627 6.627 118 2HB ASN 16 2HB ASN 16 -7.613 4.953 4.953 119 1HD2 ASN 16 1HD2 ASN 16 -5.721 5.375 5.375 120 2HD2 ASN 16 2HD2 ASN 16 -7.021 4.445 4.445 121 H THR 17 H THR 17 -5.958 2.795 2.795 122 HA THR 17 HA THR 17 -3.466 2.803 2.803 123 HB THR 17 HB THR 17 -5.134 0.479 0.479 124 HG1 THR 17 HG1 THR 17 -5.829 0.301 0.301 125 1HG2 THR 17 3HG2 THR 17 -2.952 0.274 0.274 126 2HG2 THR 17 1HG2 THR 17 -4.057 -1.034 -1.034 127 3HG2 THR 17 2HG2 THR 17 -2.844 -0.446 -0.446 128 H LEU 18 H LEU 18 -4.199 2.299 2.299 129 HA LEU 18 HA LEU 18 -1.520 1.048 1.048 130 1HB LEU 18 1HB LEU 18 -3.546 0.508 0.508 131 2HB LEU 18 2HB LEU 18 -3.644 2.178 2.178 132 HG LEU 18 HG LEU 18 -1.258 1.842 1.842 133 1HD1 LEU 18 3HD2 LEU 18 -0.821 -0.401 -0.401 134 2HD1 LEU 18 1HD2 LEU 18 -2.054 -1.146 -1.146 135 3HD1 LEU 18 2HD2 LEU 18 -0.579 -0.465 -0.465 136 1HD2 LEU 18 2HD1 LEU 18 -3.439 2.035 2.035 137 2HD2 LEU 18 3HD1 LEU 18 -2.271 0.959 0.959 138 3HD2 LEU 18 1HD1 LEU 18 -3.641 0.276 0.276 139 H GLU 19 H GLU 19 -2.901 4.248 4.248 140 HA GLU 19 HA GLU 19 -0.499 5.408 5.408 141 1HB GLU 19 1HB GLU 19 -2.876 6.417 6.417 142 2HB GLU 19 2HB GLU 19 -2.635 6.749 6.749 143 1HG GLU 19 1HG GLU 19 -2.273 8.684 8.684 144 2HG GLU 19 2HG GLU 19 -1.244 8.629 8.629 145 H ASP 20 H ASP 20 -1.021 4.174 4.174 146 HA ASP 20 HA ASP 20 1.503 5.645 5.645 147 1HB ASP 20 1HB ASP 20 -0.996 5.044 5.044 148 2HB ASP 20 2HB ASP 20 0.265 4.071 4.071 149 H LYS 21 H LYS 21 0.124 2.659 2.659 150 HA LYS 21 HA LYS 21 2.586 1.143 1.143 151 1HB LYS 21 1HB LYS 21 -0.176 0.473 0.473 152 2HB LYS 21 2HB LYS 21 1.053 -0.532 -0.532 153 1HG LYS 21 1HG LYS 21 0.101 -1.539 -1.539 154 2HG LYS 21 2HG LYS 21 1.853 -1.353 -1.353 155 1HD LYS 21 1HD LYS 21 1.444 0.837 0.837 156 2HD LYS 21 2HD LYS 21 -0.283 0.431 0.431 157 1HE LYS 21 1HE LYS 21 0.874 -2.025 -2.025 158 2HE LYS 21 2HE LYS 21 1.965 -0.860 -0.860 159 1HZ LYS 21 1HZ LYS 21 -0.976 -0.539 -0.539 160 2HZ LYS 21 2HZ LYS 21 -0.119 -1.501 -1.501 161 3HZ LYS 21 3HZ LYS 21 0.216 0.144 0.144 162 H ALA 22 H ALA 22 1.871 3.206 3.206 163 HA ALA 22 HA ALA 22 4.340 2.105 2.105 164 1HB ALA 22 2HB ALA 22 2.331 1.379 1.379 165 2HB ALA 22 3HB ALA 22 1.746 3.058 3.058 166 3HB ALA 22 1HB ALA 22 3.256 2.598 2.598 167 H ARG 23 H ARG 23 3.877 4.092 4.092 168 HA ARG 23 HA ARG 23 5.209 6.372 6.372 169 1HB ARG 23 1HB ARG 23 2.842 7.087 7.087 170 2HB ARG 23 2HB ARG 23 2.673 6.656 6.656 171 1HG ARG 23 1HG ARG 23 4.709 8.818 8.818 172 2HG ARG 23 2HG ARG 23 3.006 9.211 9.211 173 1HD ARG 23 1HD ARG 23 3.229 8.051 8.051 174 2HD ARG 23 2HD ARG 23 4.987 8.126 8.126 175 HE ARG 23 HE ARG 23 4.477 10.708 10.708 176 1HH1 ARG 23 2HH2 ARG 23 2.960 8.836 8.836 177 2HH1 ARG 23 1HH2 ARG 23 2.667 10.327 10.327 178 1HH2 ARG 23 1HH1 ARG 23 4.126 12.272 12.272 179 2HH2 ARG 23 2HH1 ARG 23 3.302 12.198 12.198 180 H GLU 24 H GLU 24 4.138 5.040 5.040 181 HA GLU 24 HA GLU 24 6.741 5.998 5.998 182 1HB GLU 24 1HB GLU 24 4.598 4.151 4.151 183 2HB GLU 24 2HB GLU 24 5.881 4.964 4.964 184 1HG GLU 24 1HG GLU 24 4.828 7.183 7.183 185 2HG GLU 24 2HG GLU 24 3.730 6.579 6.579 186 H LEU 25 H LEU 25 5.176 3.144 3.144 187 HA LEU 25 HA LEU 25 7.299 1.259 1.259 188 1HB LEU 25 1HB LEU 25 5.112 0.365 0.365 189 2HB LEU 25 2HB LEU 25 5.118 1.211 1.211 190 HG LEU 25 HG LEU 25 7.389 -0.634 -0.634 191 1HD1 LEU 25 2HD1 LEU 25 6.092 -1.868 -1.868 192 2HD1 LEU 25 3HD1 LEU 25 4.666 -1.933 -1.933 193 3HD1 LEU 25 1HD1 LEU 25 6.157 -2.797 -2.797 194 1HD2 LEU 25 2HD2 LEU 25 4.760 -0.614 -0.614 195 2HD2 LEU 25 3HD2 LEU 25 6.315 0.121 0.121 196 3HD2 LEU 25 1HD2 LEU 25 6.181 -1.637 -1.637 197 H ILE 26 H ILE 26 6.986 3.504 3.504 198 HA ILE 26 HA ILE 26 9.032 2.234 2.234 199 HB ILE 26 HB ILE 26 7.524 4.818 4.818 200 1HG1 ILE 26 1HG1 ILE 26 8.567 3.507 3.507 201 2HG1 ILE 26 2HG1 ILE 26 7.328 2.689 2.689 202 1HG2 ILE 26 2HG2 ILE 26 9.841 5.860 5.860 203 2HG2 ILE 26 3HG2 ILE 26 10.310 4.842 4.842 204 3HG2 ILE 26 1HG2 ILE 26 9.067 6.103 6.103 205 1HD1 ILE 26 2HD1 ILE 26 5.786 4.681 4.681 206 2HD1 ILE 26 3HD1 ILE 26 6.975 5.509 5.509 207 3HD1 ILE 26 1HD1 ILE 26 6.220 4.002 4.002 208 H SER 27 H SER 27 9.184 4.383 4.383 209 HA SER 27 HA SER 27 12.125 4.777 4.777 210 1HB SER 27 1HB SER 27 11.314 6.454 6.454 211 2HB SER 27 2HB SER 27 10.038 5.467 5.467 212 HG SER 27 HG SER 27 12.769 5.653 5.653 213 H ARG 28 H ARG 28 10.038 2.429 2.429 214 HA ARG 28 HA ARG 28 12.297 0.930 0.930 215 1HB ARG 28 1HB ARG 28 10.016 0.566 0.566 216 2HB ARG 28 2HB ARG 28 9.382 0.224 0.224 217 1HG ARG 28 1HG ARG 28 11.042 -1.905 -1.905 218 2HG ARG 28 2HG ARG 28 11.161 -1.571 -1.571 219 1HD ARG 28 1HD ARG 28 8.393 -1.785 -1.785 220 2HD ARG 28 2HD ARG 28 9.313 -3.259 -3.259 221 HE ARG 28 HE ARG 28 8.125 -1.303 -1.303 222 1HH1 ARG 28 2HH2 ARG 28 10.402 -3.901 -3.901 223 2HH1 ARG 28 1HH2 ARG 28 10.366 -4.274 -4.274 224 1HH2 ARG 28 1HH1 ARG 28 8.136 -1.765 -1.765 225 2HH2 ARG 28 2HH1 ARG 28 9.135 -3.116 -3.116 226 H ILE 29 H ILE 29 11.135 1.310 1.310 227 HA ILE 29 HA ILE 29 12.253 -1.361 -1.361 228 HB ILE 29 HB ILE 29 10.607 0.830 0.830 229 1HG1 ILE 29 1HG1 ILE 29 8.980 -0.717 -0.717 230 2HG1 ILE 29 2HG1 ILE 29 9.622 -1.569 -1.569 231 1HG2 ILE 29 2HG2 ILE 29 12.439 0.481 0.481 232 2HG2 ILE 29 3HG2 ILE 29 12.154 -1.276 -1.276 233 3HG2 ILE 29 1HG2 ILE 29 10.925 -0.156 -0.156 234 1HD1 ILE 29 2HD1 ILE 29 11.079 -3.020 -3.020 235 2HD1 ILE 29 3HD1 ILE 29 10.374 -2.257 -2.257 236 3HD1 ILE 29 1HD1 ILE 29 9.343 -3.188 -3.188 237 H LYS 30 H LYS 30 13.002 2.026 2.026 238 HA LYS 30 HA LYS 30 15.262 1.801 1.801 239 1HB LYS 30 1HB LYS 30 15.923 4.079 4.079 240 2HB LYS 30 2HB LYS 30 14.309 4.013 4.013 241 1HG LYS 30 1HG LYS 30 13.656 4.952 4.952 242 2HG LYS 30 2HG LYS 30 13.708 3.293 3.293 243 1HD LYS 30 1HD LYS 30 14.889 4.704 4.704 244 2HD LYS 30 2HD LYS 30 16.138 3.762 3.762 245 1HE LYS 30 1HE LYS 30 17.072 5.638 5.638 246 2HE LYS 30 2HE LYS 30 15.499 6.267 6.267 247 1HZ LYS 30 1HZ LYS 30 16.193 6.352 6.352 248 2HZ LYS 30 2HZ LYS 30 16.848 7.491 7.491 249 3HZ LYS 30 3HZ LYS 30 15.179 7.357 7.357 250 H GLN 31 H GLN 31 14.839 1.337 1.337 251 HA GLN 31 HA GLN 31 17.836 1.251 1.251 252 1HB GLN 31 1HB GLN 31 15.670 2.120 2.120 253 2HB GLN 31 2HB GLN 31 15.948 0.522 0.522 254 1HG GLN 31 1HG GLN 31 18.535 1.389 1.389 255 2HG GLN 31 2HG GLN 31 17.813 2.974 2.974 256 1HE2 GLN 31 2HE2 GLN 31 16.226 2.179 2.179 257 2HE2 GLN 31 1HE2 GLN 31 15.543 2.512 2.512 258 H SER 32 H SER 32 16.867 -0.715 -0.715 259 HA SER 32 HA SER 32 17.802 -3.162 -3.162 260 1HB SER 32 1HB SER 32 15.719 -4.464 -4.464 261 2HB SER 32 2HB SER 32 15.594 -3.034 -3.034 262 HG SER 32 HG SER 32 13.764 -3.651 -3.651 263 H GLU 33 H GLU 33 18.383 -1.807 -1.807 264 HA GLU 33 HA GLU 33 17.474 -3.889 -3.889 265 1HB GLU 33 1HB GLU 33 17.258 -0.936 -0.936 266 2HB GLU 33 2HB GLU 33 18.265 -1.423 -1.423 267 1HG GLU 33 1HG GLU 33 15.878 -3.143 -3.143 268 2HG GLU 33 2HG GLU 33 15.328 -1.506 -1.506 269 H LEU 34 H LEU 34 19.788 -3.786 -3.786 270 HA LEU 34 HA LEU 34 21.963 -3.630 -3.630 271 1HB LEU 34 1HB LEU 34 23.593 -3.632 -3.632 272 2HB LEU 34 2HB LEU 34 22.513 -2.252 -2.252 273 HG LEU 34 HG LEU 34 21.578 -4.585 -4.585 274 1HD1 LEU 34 2HD1 LEU 34 24.062 -4.720 -4.720 275 2HD1 LEU 34 3HD1 LEU 34 24.108 -2.996 -2.996 276 3HD1 LEU 34 1HD1 LEU 34 23.227 -4.163 -4.163 277 1HD2 LEU 34 2HD2 LEU 34 21.860 -1.549 -1.549 278 2HD2 LEU 34 3HD2 LEU 34 20.369 -2.423 -2.423 279 3HD2 LEU 34 1HD2 LEU 34 21.145 -2.739 -2.739 280 H SER 35 H SER 35 20.357 -5.701 -5.701 281 HA SER 35 HA SER 35 20.715 -7.986 -7.986 282 1HB SER 35 1HB SER 35 20.386 -7.933 -7.933 283 2HB SER 35 2HB SER 35 22.037 -8.532 -8.532 284 HG SER 35 HG SER 35 21.370 -10.295 -10.295 285 H ALA 36 H ALA 36 22.763 -5.997 -5.997 286 HA ALA 36 HA ALA 36 25.206 -7.832 -7.832 287 1HB ALA 36 2HB ALA 36 25.511 -5.554 -5.554 288 2HB ALA 36 3HB ALA 36 24.964 -4.769 -4.769 289 3HB ALA 36 1HB ALA 36 26.493 -5.680 -5.680 290 H LYS 37 H LYS 37 22.976 -6.050 -6.050 291 HA LYS 37 HA LYS 37 23.789 -7.717 -7.717 292 1HB LYS 37 1HB LYS 37 25.293 -5.370 -5.370 293 2HB LYS 37 2HB LYS 37 23.983 -4.762 -4.762 294 1HG LYS 37 1HG LYS 37 24.554 -6.214 -6.214 295 2HG LYS 37 2HG LYS 37 25.404 -7.363 -7.363 296 1HD LYS 37 1HD LYS 37 27.389 -6.126 -6.126 297 2HD LYS 37 2HD LYS 37 26.552 -4.561 -4.561 298 1HE LYS 37 1HE LYS 37 26.198 -6.433 -6.433 299 2HE LYS 37 2HE LYS 37 27.674 -5.463 -5.463 300 1HZ LYS 37 3HZ LYS 37 25.838 -3.625 -3.625 301 2HZ LYS 37 1HZ LYS 37 24.938 -4.594 -4.594 302 3HZ LYS 37 2HZ LYS 37 26.387 -3.920 -3.920 303 H MET 38 H MET 38 21.500 -7.450 -7.450 304 HA MET 38 HA MET 38 19.412 -5.883 -5.883 305 1HB MET 38 1HB MET 38 19.535 -8.095 -8.095 306 2HB MET 38 2HB MET 38 18.719 -8.793 -8.793 307 1HG MET 38 1HG MET 38 17.563 -6.140 -6.140 308 2HG MET 38 2HG MET 38 17.423 -7.473 -7.473 309 1HE MET 38 1HE MET 38 16.772 -5.856 -5.856 310 2HE MET 38 3HE MET 38 15.049 -5.936 -5.936 311 3HE MET 38 2HE MET 38 15.618 -6.844 -6.844 Start of MODEL 2 1 1H THR 1 1H THR 1 -17.893 -10.747 -10.747 2 2H THR 1 2H THR 1 -17.022 -12.116 -12.116 3 3H THR 1 3H THR 1 -18.699 -12.183 -12.183 4 HA THR 1 HA THR 1 -18.213 -12.105 -12.105 5 HB THR 1 HB THR 1 -15.864 -10.794 -10.794 6 HG1 THR 1 HG1 THR 1 -15.392 -10.804 -10.804 7 1HG2 THR 1 3HG2 THR 1 -17.410 -8.792 -8.792 8 2HG2 THR 1 1HG2 THR 1 -15.674 -8.707 -8.707 9 3HG2 THR 1 2HG2 THR 1 -16.867 -8.467 -8.467 10 HA PRO 2 HA PRO 2 -21.574 -9.507 -9.507 11 1HB PRO 2 1HB PRO 2 -19.764 -8.338 -8.338 12 2HB PRO 2 2HB PRO 2 -21.527 -9.009 -9.009 13 1HG PRO 2 1HG PRO 2 -19.289 -10.526 -10.526 14 2HG PRO 2 2HG PRO 2 -20.799 -11.182 -11.182 15 1HD PRO 2 1HD PRO 2 -17.972 -10.190 -10.190 16 2HD PRO 2 2HD PRO 2 -18.803 -11.770 -11.770 17 H ASP 3 H ASP 3 -22.125 -7.256 -7.256 18 HA ASP 3 HA ASP 3 -21.505 -5.311 -5.311 19 1HB ASP 3 1HB ASP 3 -23.405 -5.205 -5.205 20 2HB ASP 3 2HB ASP 3 -22.185 -4.631 -4.631 21 H VAL 4 H VAL 4 -19.584 -4.978 -4.978 22 HA VAL 4 HA VAL 4 -17.461 -4.419 -4.419 23 HB VAL 4 HB VAL 4 -17.539 -5.658 -5.658 24 1HG1 VAL 4 1HG2 VAL 4 -15.129 -3.761 -3.761 25 2HG1 VAL 4 2HG2 VAL 4 -15.245 -5.012 -5.012 26 3HG1 VAL 4 3HG2 VAL 4 -16.332 -3.636 -3.636 27 1HG2 VAL 4 2HG1 VAL 4 -16.675 -6.881 -6.881 28 2HG2 VAL 4 3HG1 VAL 4 -15.494 -6.864 -6.864 29 3HG2 VAL 4 1HG1 VAL 4 -15.285 -5.773 -5.773 30 H SER 5 H SER 5 -19.430 -2.789 -2.789 31 HA SER 5 HA SER 5 -17.565 -0.644 -0.644 32 1HB SER 5 1HB SER 5 -19.405 -0.575 -0.575 33 2HB SER 5 2HB SER 5 -20.565 -1.050 -1.050 34 HG SER 5 HG SER 5 -20.740 1.153 1.153 35 H SER 6 H SER 6 -19.719 -1.137 -1.137 36 HA SER 6 HA SER 6 -18.392 1.322 1.322 37 1HB SER 6 1HB SER 6 -20.397 2.031 2.031 38 2HB SER 6 2HB SER 6 -20.983 1.521 1.521 39 HG SER 6 HG SER 6 -22.247 0.250 0.250 40 H ALA 7 H ALA 7 -17.491 -1.369 -1.369 41 HA ALA 7 HA ALA 7 -17.878 -2.291 -2.291 42 1HB ALA 7 2HB ALA 7 -17.419 -3.918 -3.918 43 2HB ALA 7 3HB ALA 7 -15.847 -3.146 -3.146 44 3HB ALA 7 1HB ALA 7 -16.123 -4.022 -4.022 45 H LEU 8 H LEU 8 -15.827 -0.091 -0.091 46 HA LEU 8 HA LEU 8 -13.807 0.002 0.002 47 1HB LEU 8 1HB LEU 8 -13.641 0.866 0.866 48 2HB LEU 8 2HB LEU 8 -14.397 2.319 2.319 49 HG LEU 8 HG LEU 8 -12.502 2.802 2.802 50 1HD1 LEU 8 2HD1 LEU 8 -11.967 0.450 0.450 51 2HD1 LEU 8 3HD1 LEU 8 -11.296 0.097 0.097 52 3HD1 LEU 8 1HD1 LEU 8 -10.508 1.293 1.293 53 1HD2 LEU 8 2HD2 LEU 8 -11.517 1.975 1.975 54 2HD2 LEU 8 3HD2 LEU 8 -12.170 3.560 3.560 55 3HD2 LEU 8 1HD2 LEU 8 -10.617 3.024 3.024 56 H ASP 9 H ASP 9 -16.831 1.528 1.528 57 HA ASP 9 HA ASP 9 -16.788 3.661 3.661 58 1HB ASP 9 1HB ASP 9 -18.762 3.324 3.324 59 2HB ASP 9 2HB ASP 9 -19.087 1.753 1.753 60 H LYS 10 H LYS 10 -17.266 0.254 0.254 61 HA LYS 10 HA LYS 10 -18.335 0.460 0.460 62 1HB LYS 10 1HB LYS 10 -16.863 -1.648 -1.648 63 2HB LYS 10 2HB LYS 10 -16.756 -1.865 -1.865 64 1HG LYS 10 1HG LYS 10 -19.402 -1.576 -1.576 65 2HG LYS 10 2HG LYS 10 -18.721 -3.097 -3.097 66 1HD LYS 10 1HD LYS 10 -18.906 -1.889 -1.889 67 2HD LYS 10 2HD LYS 10 -20.016 -0.796 -0.796 68 1HE LYS 10 1HE LYS 10 -21.076 -3.109 -3.109 69 2HE LYS 10 2HE LYS 10 -20.330 -3.822 -3.822 70 1HZ LYS 10 1HZ LYS 10 -21.409 -1.857 -1.857 71 2HZ LYS 10 2HZ LYS 10 -22.381 -1.704 -1.704 72 3HZ LYS 10 3HZ LYS 10 -22.381 -3.140 -3.140 73 H LEU 11 H LEU 11 -15.014 0.537 0.537 74 HA LEU 11 HA LEU 11 -14.027 0.754 0.754 75 1HB LEU 11 1HB LEU 11 -12.362 1.179 1.179 76 2HB LEU 11 2HB LEU 11 -11.770 0.779 0.779 77 HG LEU 11 HG LEU 11 -13.450 -1.123 -1.123 78 1HD1 LEU 11 2HD1 LEU 11 -11.237 -0.599 -0.599 79 2HD1 LEU 11 3HD1 LEU 11 -10.384 -1.050 -1.050 80 3HD1 LEU 11 1HD1 LEU 11 -11.283 -2.277 -2.277 81 1HD2 LEU 11 2HD2 LEU 11 -11.850 -1.651 -1.651 82 2HD2 LEU 11 3HD2 LEU 11 -13.617 -1.743 -1.743 83 3HD2 LEU 11 1HD2 LEU 11 -12.582 -2.917 -2.917 84 H LYS 12 H LYS 12 -13.406 2.736 2.736 85 HA LYS 12 HA LYS 12 -12.243 4.882 4.882 86 1HB LYS 12 1HB LYS 12 -15.015 4.780 4.780 87 2HB LYS 12 2HB LYS 12 -14.958 5.928 5.928 88 1HG LYS 12 1HG LYS 12 -14.750 7.371 7.371 89 2HG LYS 12 2HG LYS 12 -13.063 7.162 7.162 90 1HD LYS 12 1HD LYS 12 -12.582 6.029 6.029 91 2HD LYS 12 2HD LYS 12 -14.111 5.128 5.128 92 1HE LYS 12 1HE LYS 12 -14.738 6.594 6.594 93 2HE LYS 12 2HE LYS 12 -15.118 7.702 7.702 94 1HZ LYS 12 1HZ LYS 12 -12.421 7.535 7.535 95 2HZ LYS 12 2HZ LYS 12 -13.611 8.622 8.622 96 3HZ LYS 12 3HZ LYS 12 -12.983 8.696 8.696 97 H GLU 13 H GLU 13 -11.157 4.082 4.082 98 HA GLU 13 HA GLU 13 -10.846 6.025 6.025 99 1HB GLU 13 1HB GLU 13 -13.563 5.220 5.220 100 2HB GLU 13 2HB GLU 13 -12.816 4.281 4.281 101 1HG GLU 13 1HG GLU 13 -11.944 6.414 6.414 102 2HG GLU 13 2HG GLU 13 -12.613 7.376 7.376 103 H PHE 14 H PHE 14 -12.117 2.938 2.938 104 HA PHE 14 HA PHE 14 -9.740 1.876 1.876 105 1HB PHE 14 1HB PHE 14 -11.940 0.710 0.710 106 2HB PHE 14 2HB PHE 14 -11.964 0.419 0.419 107 HD1 PHE 14 HD1 PHE 14 -10.474 -0.636 -0.636 108 HD2 PHE 14 HD2 PHE 14 -10.610 -1.449 -1.449 109 HE1 PHE 14 HE1 PHE 14 -9.433 -2.830 -2.830 110 HE2 PHE 14 HE2 PHE 14 -9.565 -3.645 -3.645 111 HZ PHE 14 HZ PHE 14 -8.978 -4.343 -4.343 112 H GLY 15 H GLY 15 -10.049 2.474 2.474 113 1HA GLY 15 1HA GLY 15 -7.781 0.523 0.523 114 2HA GLY 15 2HA GLY 15 -8.625 1.532 1.532 115 H ASN 16 H ASN 16 -8.510 3.991 3.991 116 HA ASN 16 HA ASN 16 -5.924 5.047 5.047 117 1HB ASN 16 1HB ASN 16 -7.671 6.655 6.655 118 2HB ASN 16 2HB ASN 16 -8.161 5.919 5.919 119 1HD2 ASN 16 1HD2 ASN 16 -6.438 8.583 8.583 120 2HD2 ASN 16 2HD2 ASN 16 -7.996 7.607 7.607 121 H THR 17 H THR 17 -7.015 3.440 3.440 122 HA THR 17 HA THR 17 -4.911 4.199 4.199 123 HB THR 17 HB THR 17 -5.954 1.305 1.305 124 HG1 THR 17 HG1 THR 17 -7.744 2.047 2.047 125 1HG2 THR 17 3HG2 THR 17 -5.418 3.113 3.113 126 2HG2 THR 17 1HG2 THR 17 -6.053 1.450 1.450 127 3HG2 THR 17 2HG2 THR 17 -4.406 1.738 1.738 128 H LEU 18 H LEU 18 -4.936 1.569 1.569 129 HA LEU 18 HA LEU 18 -2.276 0.576 0.576 130 1HB LEU 18 1HB LEU 18 -3.373 0.547 0.547 131 2HB LEU 18 2HB LEU 18 -2.333 -0.635 -0.635 132 HG LEU 18 HG LEU 18 -5.319 -0.394 -0.394 133 1HD1 LEU 18 3HD2 LEU 18 -3.973 -2.286 -2.286 134 2HD1 LEU 18 1HD2 LEU 18 -3.512 -2.863 -2.863 135 3HD1 LEU 18 2HD2 LEU 18 -5.231 -2.863 -2.863 136 1HD2 LEU 18 2HD1 LEU 18 -4.765 0.107 0.107 137 2HD2 LEU 18 3HD1 LEU 18 -5.634 -1.436 -1.436 138 3HD2 LEU 18 1HD1 LEU 18 -3.878 -1.426 -1.426 139 H GLU 19 H GLU 19 -3.339 3.133 3.133 140 HA GLU 19 HA GLU 19 -0.447 3.549 3.549 141 1HB GLU 19 1HB GLU 19 -2.665 3.529 3.529 142 2HB GLU 19 2HB GLU 19 -2.901 5.158 5.158 143 1HG GLU 19 1HG GLU 19 -0.783 5.933 5.933 144 2HG GLU 19 2HG GLU 19 -0.308 4.300 4.300 145 H ASP 20 H ASP 20 -1.428 4.146 4.146 146 HA ASP 20 HA ASP 20 -0.238 6.948 6.948 147 1HB ASP 20 1HB ASP 20 -2.871 6.581 6.581 148 2HB ASP 20 2HB ASP 20 -2.116 6.192 6.192 149 H LYS 21 H LYS 21 -0.821 4.079 4.079 150 HA LYS 21 HA LYS 21 1.512 4.846 4.846 151 1HB LYS 21 1HB LYS 21 0.659 3.295 3.295 152 2HB LYS 21 2HB LYS 21 -0.822 3.629 3.629 153 1HG LYS 21 1HG LYS 21 0.627 1.437 1.437 154 2HG LYS 21 2HG LYS 21 0.540 1.078 1.078 155 1HD LYS 21 1HD LYS 21 -2.064 1.746 1.746 156 2HD LYS 21 2HD LYS 21 -1.680 1.424 1.424 157 1HE LYS 21 1HE LYS 21 -2.008 -0.822 -0.822 158 2HE LYS 21 2HE LYS 21 -0.432 -0.777 -0.777 159 1HZ LYS 21 3HZ LYS 21 -1.887 0.213 0.213 160 2HZ LYS 21 1HZ LYS 21 -3.106 -0.653 -0.653 161 3HZ LYS 21 2HZ LYS 21 -1.722 -1.444 -1.444 162 H ALA 22 H ALA 22 0.860 2.887 2.887 163 HA ALA 22 HA ALA 22 3.380 1.325 1.325 164 1HB ALA 22 2HB ALA 22 1.418 0.573 0.573 165 2HB ALA 22 3HB ALA 22 1.591 1.998 1.998 166 3HB ALA 22 1HB ALA 22 2.857 0.748 0.748 167 H ARG 23 H ARG 23 2.791 4.581 4.581 168 HA ARG 23 HA ARG 23 4.929 4.981 4.981 169 1HB ARG 23 1HB ARG 23 2.982 6.619 6.619 170 2HB ARG 23 2HB ARG 23 4.544 7.416 7.416 171 1HG ARG 23 1HG ARG 23 3.257 8.242 8.242 172 2HG ARG 23 2HG ARG 23 4.555 7.236 7.236 173 1HD ARG 23 1HD ARG 23 2.362 5.421 5.421 174 2HD ARG 23 2HD ARG 23 1.622 6.891 6.891 175 HE ARG 23 HE ARG 23 3.811 5.256 5.256 176 1HH1 ARG 23 2HH2 ARG 23 1.532 7.875 7.875 177 2HH1 ARG 23 1HH2 ARG 23 1.738 7.984 7.984 178 1HH2 ARG 23 1HH1 ARG 23 3.972 5.438 5.438 179 2HH2 ARG 23 2HH1 ARG 23 3.064 6.667 6.667 180 H GLU 24 H GLU 24 4.766 5.233 5.233 181 HA GLU 24 HA GLU 24 7.600 6.197 6.197 182 1HB GLU 24 1HB GLU 24 5.884 5.014 5.014 183 2HB GLU 24 2HB GLU 24 7.254 6.085 6.085 184 1HG GLU 24 1HG GLU 24 5.994 8.041 8.041 185 2HG GLU 24 2HG GLU 24 4.808 7.141 7.141 186 H LEU 25 H LEU 25 5.850 3.189 3.189 187 HA LEU 25 HA LEU 25 8.223 1.584 1.584 188 1HB LEU 25 1HB LEU 25 6.418 0.211 0.211 189 2HB LEU 25 2HB LEU 25 5.386 1.110 1.110 190 HG LEU 25 HG LEU 25 7.417 -0.780 -0.780 191 1HD1 LEU 25 2HD1 LEU 25 6.482 -2.097 -2.097 192 2HD1 LEU 25 3HD1 LEU 25 4.821 -1.751 -1.751 193 3HD1 LEU 25 1HD1 LEU 25 5.906 -2.739 -2.739 194 1HD2 LEU 25 2HD2 LEU 25 4.477 -0.064 -0.064 195 2HD2 LEU 25 3HD2 LEU 25 5.937 0.497 0.497 196 3HD2 LEU 25 1HD2 LEU 25 5.491 -1.211 -1.211 197 H ILE 26 H ILE 26 7.017 2.860 2.860 198 HA ILE 26 HA ILE 26 8.571 1.063 1.063 199 HB ILE 26 HB ILE 26 7.106 3.681 3.681 200 1HG1 ILE 26 1HG1 ILE 26 7.158 1.425 1.425 201 2HG1 ILE 26 2HG1 ILE 26 6.267 1.215 1.215 202 1HG2 ILE 26 2HG2 ILE 26 9.286 4.326 4.326 203 2HG2 ILE 26 3HG2 ILE 26 9.215 2.854 2.854 204 3HG2 ILE 26 1HG2 ILE 26 8.016 4.152 4.152 205 1HD1 ILE 26 2HD1 ILE 26 4.867 3.265 3.265 206 2HD1 ILE 26 3HD1 ILE 26 5.672 3.455 3.455 207 3HD1 ILE 26 1HD1 ILE 26 4.704 2.009 2.009 208 H SER 27 H SER 27 9.363 3.935 3.935 209 HA SER 27 HA SER 27 12.033 4.269 4.269 210 1HB SER 27 1HB SER 27 11.637 6.120 6.120 211 2HB SER 27 2HB SER 27 10.612 5.264 5.264 212 HG SER 27 HG SER 27 12.280 5.068 5.068 213 H ARG 28 H ARG 28 10.759 2.209 2.209 214 HA ARG 28 HA ARG 28 13.401 0.978 0.978 215 1HB ARG 28 1HB ARG 28 11.298 0.934 0.934 216 2HB ARG 28 2HB ARG 28 10.561 -0.202 -0.202 217 1HG ARG 28 1HG ARG 28 13.175 -1.325 -1.325 218 2HG ARG 28 2HG ARG 28 12.495 -0.697 -0.697 219 1HD ARG 28 1HD ARG 28 10.301 -1.989 -1.989 220 2HD ARG 28 2HD ARG 28 11.229 -2.754 -2.754 221 HE ARG 28 HE ARG 28 11.547 -3.217 -3.217 222 1HH1 ARG 28 2HH2 ARG 28 13.133 -3.529 -3.529 223 2HH1 ARG 28 1HH2 ARG 28 14.263 -4.847 -4.847 224 1HH2 ARG 28 1HH1 ARG 28 12.802 -4.645 -4.645 225 2HH2 ARG 28 2HH1 ARG 28 14.088 -5.458 -5.458 226 H ILE 29 H ILE 29 11.031 0.593 0.593 227 HA ILE 29 HA ILE 29 11.780 -2.235 -2.235 228 HB ILE 29 HB ILE 29 9.969 -0.166 -0.166 229 1HG1 ILE 29 1HG1 ILE 29 8.854 -2.891 -2.891 230 2HG1 ILE 29 2HG1 ILE 29 9.518 -2.499 -2.499 231 1HG2 ILE 29 2HG2 ILE 29 11.161 -1.130 -1.130 232 2HG2 ILE 29 3HG2 ILE 29 10.776 -2.781 -2.781 233 3HG2 ILE 29 1HG2 ILE 29 9.499 -1.657 -1.657 234 1HD1 ILE 29 2HD1 ILE 29 8.158 -0.380 -0.380 235 2HD1 ILE 29 3HD1 ILE 29 7.373 -0.794 -0.794 236 3HD1 ILE 29 1HD1 ILE 29 7.167 -1.850 -1.850 237 H LYS 30 H LYS 30 12.698 0.926 0.926 238 HA LYS 30 HA LYS 30 14.079 0.079 0.079 239 1HB LYS 30 1HB LYS 30 14.397 2.347 2.347 240 2HB LYS 30 2HB LYS 30 13.603 2.530 2.530 241 1HG LYS 30 1HG LYS 30 16.408 1.758 1.758 242 2HG LYS 30 2HG LYS 30 16.393 3.058 3.058 243 1HD LYS 30 1HD LYS 30 14.842 3.194 3.194 244 2HD LYS 30 2HD LYS 30 16.557 3.636 3.636 245 1HE LYS 30 1HE LYS 30 14.726 4.852 4.852 246 2HE LYS 30 2HE LYS 30 14.523 5.473 5.473 247 1HZ LYS 30 1HZ LYS 30 17.240 5.172 5.172 248 2HZ LYS 30 2HZ LYS 30 16.298 6.509 6.509 249 3HZ LYS 30 3HZ LYS 30 16.694 6.200 6.200 250 H GLN 31 H GLN 31 14.994 -0.078 -0.078 251 HA GLN 31 HA GLN 31 17.907 -0.372 -0.372 252 1HB GLN 31 1HB GLN 31 16.504 0.722 0.722 253 2HB GLN 31 2HB GLN 31 16.978 -0.840 -0.840 254 1HG GLN 31 1HG GLN 31 19.459 -0.175 -0.175 255 2HG GLN 31 2HG GLN 31 18.829 1.444 1.444 256 1HE2 GLN 31 2HE2 GLN 31 18.423 1.235 1.235 257 2HE2 GLN 31 1HE2 GLN 31 17.162 1.184 1.184 258 H SER 32 H SER 32 15.896 -2.434 -2.434 259 HA SER 32 HA SER 32 17.847 -4.588 -4.588 260 1HB SER 32 1HB SER 32 16.248 -4.322 -4.322 261 2HB SER 32 2HB SER 32 15.547 -5.701 -5.701 262 HG SER 32 HG SER 32 17.395 -6.799 -6.799 263 H GLU 33 H GLU 33 16.204 -3.295 -3.295 264 HA GLU 33 HA GLU 33 15.134 -5.921 -5.921 265 1HB GLU 33 1HB GLU 33 13.717 -3.377 -3.377 266 2HB GLU 33 2HB GLU 33 13.701 -3.672 -3.672 267 1HG GLU 33 1HG GLU 33 12.936 -6.202 -6.202 268 2HG GLU 33 2HG GLU 33 12.120 -4.988 -4.988 269 H LEU 34 H LEU 34 17.695 -4.491 -4.491 270 HA LEU 34 HA LEU 34 17.608 -4.217 -4.217 271 1HB LEU 34 1HB LEU 34 19.908 -2.992 -2.992 272 2HB LEU 34 2HB LEU 34 18.424 -2.110 -2.110 273 HG LEU 34 HG LEU 34 20.115 -3.429 -3.429 274 1HD1 LEU 34 2HD1 LEU 34 21.401 -1.626 -1.626 275 2HD1 LEU 34 3HD1 LEU 34 20.069 -0.473 -0.473 276 3HD1 LEU 34 1HD1 LEU 34 20.978 -1.123 -1.123 277 1HD2 LEU 34 2HD2 LEU 34 17.790 -1.384 -1.384 278 2HD2 LEU 34 3HD2 LEU 34 17.778 -3.067 -3.067 279 3HD2 LEU 34 1HD2 LEU 34 18.822 -1.879 -1.879 280 H SER 35 H SER 35 19.531 -5.340 -5.340 281 HA SER 35 HA SER 35 20.964 -7.226 -7.226 282 1HB SER 35 1HB SER 35 19.983 -7.734 -7.734 283 2HB SER 35 2HB SER 35 21.311 -8.682 -8.682 284 HG SER 35 HG SER 35 19.972 -9.572 -9.572 285 H ALA 36 H ALA 36 21.465 -4.458 -4.458 286 HA ALA 36 HA ALA 36 24.168 -4.125 -4.125 287 1HB ALA 36 2HB ALA 36 24.473 -6.234 -6.234 288 2HB ALA 36 3HB ALA 36 23.478 -5.556 -5.556 289 3HB ALA 36 1HB ALA 36 25.056 -4.831 -4.831 290 H LYS 37 H LYS 37 22.064 -4.171 -4.171 291 HA LYS 37 HA LYS 37 21.074 -1.418 -1.418 292 1HB LYS 37 1HB LYS 37 22.002 -0.773 -0.773 293 2HB LYS 37 2HB LYS 37 22.847 -0.334 -0.334 294 1HG LYS 37 1HG LYS 37 24.468 -2.136 -2.136 295 2HG LYS 37 2HG LYS 37 23.425 -3.054 -3.054 296 1HD LYS 37 1HD LYS 37 24.684 -0.329 -0.329 297 2HD LYS 37 2HD LYS 37 25.512 -1.874 -1.874 298 1HE LYS 37 1HE LYS 37 23.181 -2.593 -2.593 299 2HE LYS 37 2HE LYS 37 22.936 -0.846 -0.846 300 1HZ LYS 37 1HZ LYS 37 25.522 -2.055 -2.055 301 2HZ LYS 37 2HZ LYS 37 24.211 -2.061 -2.061 302 3HZ LYS 37 3HZ LYS 37 24.838 -0.602 -0.602 303 H MET 38 H MET 38 20.169 -4.160 -4.160 304 HA MET 38 HA MET 38 18.877 -3.870 -3.870 305 1HB MET 38 1HB MET 38 20.019 -6.091 -6.091 306 2HB MET 38 2HB MET 38 18.298 -6.404 -6.404 307 1HG MET 38 1HG MET 38 19.431 -5.580 -5.580 308 2HG MET 38 2HG MET 38 20.258 -6.989 -6.989 309 1HE MET 38 2HE MET 38 19.450 -9.098 -9.098 310 2HE MET 38 1HE MET 38 18.100 -8.776 -8.776 311 3HE MET 38 3HE MET 38 17.830 -9.786 -9.786 Start of MODEL 3 1 1H THR 1 1H THR 1 -15.553 4.933 4.933 2 2H THR 1 2H THR 1 -14.904 3.382 3.382 3 3H THR 1 3H THR 1 -14.221 4.557 4.557 4 HA THR 1 HA THR 1 -16.208 4.690 4.690 5 HB THR 1 HB THR 1 -15.810 1.740 1.740 6 HG1 THR 1 HG1 THR 1 -13.595 1.865 1.865 7 1HG2 THR 1 3HG2 THR 1 -14.829 3.941 3.941 8 2HG2 THR 1 1HG2 THR 1 -14.803 2.189 2.189 9 3HG2 THR 1 2HG2 THR 1 -16.347 3.025 3.025 10 HA PRO 2 HA PRO 2 -20.067 2.923 2.923 11 1HB PRO 2 1HB PRO 2 -21.667 3.637 3.637 12 2HB PRO 2 2HB PRO 2 -20.443 4.896 4.896 13 1HG PRO 2 1HG PRO 2 -19.764 2.964 2.964 14 2HG PRO 2 2HG PRO 2 -20.140 4.813 4.813 15 1HD PRO 2 1HD PRO 2 -17.706 3.406 3.406 16 2HD PRO 2 2HD PRO 2 -18.055 5.055 5.055 17 H ASP 3 H ASP 3 -21.216 2.113 2.113 18 HA ASP 3 HA ASP 3 -21.286 -0.735 -0.735 19 1HB ASP 3 1HB ASP 3 -23.166 0.574 0.574 20 2HB ASP 3 2HB ASP 3 -22.150 0.389 0.389 21 H VAL 4 H VAL 4 -19.342 -1.511 -1.511 22 HA VAL 4 HA VAL 4 -17.258 -0.967 -0.967 23 HB VAL 4 HB VAL 4 -16.581 -1.512 -1.512 24 1HG1 VAL 4 1HG2 VAL 4 -17.939 -4.293 -4.293 25 2HG1 VAL 4 2HG2 VAL 4 -16.891 -3.734 -3.734 26 3HG1 VAL 4 3HG2 VAL 4 -18.437 -2.950 -2.950 27 1HG2 VAL 4 2HG1 VAL 4 -14.983 -2.423 -2.423 28 2HG2 VAL 4 3HG1 VAL 4 -14.943 -3.364 -3.364 29 3HG2 VAL 4 1HG1 VAL 4 -15.802 -4.002 -4.002 30 H SER 5 H SER 5 -19.823 -3.246 -3.246 31 HA SER 5 HA SER 5 -18.468 -5.424 -5.424 32 1HB SER 5 1HB SER 5 -21.497 -4.846 -4.846 33 2HB SER 5 2HB SER 5 -20.740 -6.400 -6.400 34 HG SER 5 HG SER 5 -19.840 -6.101 -6.101 35 H SER 6 H SER 6 -20.562 -2.786 -2.786 36 HA SER 6 HA SER 6 -19.722 -3.497 -3.497 37 1HB SER 6 1HB SER 6 -22.337 -2.356 -2.356 38 2HB SER 6 2HB SER 6 -21.903 -1.997 -1.997 39 HG SER 6 HG SER 6 -22.363 -4.530 -4.530 40 H ALA 7 H ALA 7 -18.218 -1.977 -1.977 41 HA ALA 7 HA ALA 7 -18.356 0.771 0.771 42 1HB ALA 7 2HB ALA 7 -18.178 0.637 0.637 43 2HB ALA 7 3HB ALA 7 -16.670 -0.298 -0.298 44 3HB ALA 7 1HB ALA 7 -16.720 1.400 1.400 45 H LEU 8 H LEU 8 -16.546 -2.139 -2.139 46 HA LEU 8 HA LEU 8 -14.273 -0.886 -0.886 47 1HB LEU 8 1HB LEU 8 -14.340 -3.179 -3.179 48 2HB LEU 8 2HB LEU 8 -15.007 -3.868 -3.868 49 HG LEU 8 HG LEU 8 -12.410 -4.005 -4.005 50 1HD1 LEU 8 2HD1 LEU 8 -13.533 -4.932 -4.932 51 2HD1 LEU 8 3HD1 LEU 8 -13.460 -3.337 -3.337 52 3HD1 LEU 8 1HD1 LEU 8 -11.962 -4.219 -4.219 53 1HD2 LEU 8 2HD2 LEU 8 -12.562 -1.244 -1.244 54 2HD2 LEU 8 3HD2 LEU 8 -11.913 -1.582 -1.582 55 3HD2 LEU 8 1HD2 LEU 8 -11.073 -2.208 -2.208 56 H ASP 9 H ASP 9 -17.316 -2.435 -2.435 57 HA ASP 9 HA ASP 9 -17.133 -2.697 -2.697 58 1HB ASP 9 1HB ASP 9 -19.222 -3.252 -3.252 59 2HB ASP 9 2HB ASP 9 -19.507 -1.546 -1.546 60 H LYS 10 H LYS 10 -17.372 0.219 0.219 61 HA LYS 10 HA LYS 10 -18.277 1.988 1.988 62 1HB LYS 10 1HB LYS 10 -17.829 2.353 2.353 63 2HB LYS 10 2HB LYS 10 -16.265 2.942 2.942 64 1HG LYS 10 1HG LYS 10 -18.264 4.677 4.677 65 2HG LYS 10 2HG LYS 10 -17.196 4.846 4.846 66 1HD LYS 10 1HD LYS 10 -18.905 3.909 3.909 67 2HD LYS 10 2HD LYS 10 -19.851 3.282 3.282 68 1HE LYS 10 1HE LYS 10 -19.819 5.898 5.898 69 2HE LYS 10 2HE LYS 10 -19.565 6.198 6.198 70 1HZ LYS 10 2HZ LYS 10 -21.494 4.512 4.512 71 2HZ LYS 10 3HZ LYS 10 -21.850 4.886 4.886 72 3HZ LYS 10 1HZ LYS 10 -21.831 6.100 6.100 73 H LEU 11 H LEU 11 -15.072 0.908 0.908 74 HA LEU 11 HA LEU 11 -13.783 2.658 2.658 75 1HB LEU 11 1HB LEU 11 -12.470 0.312 0.312 76 2HB LEU 11 2HB LEU 11 -11.660 1.656 1.656 77 HG LEU 11 HG LEU 11 -13.338 1.794 1.794 78 1HD1 LEU 11 2HD1 LEU 11 -11.094 0.694 0.694 79 2HD1 LEU 11 3HD1 LEU 11 -10.291 2.108 2.108 80 3HD1 LEU 11 1HD1 LEU 11 -11.134 2.259 2.259 81 1HD2 LEU 11 2HD2 LEU 11 -11.830 4.079 4.079 82 2HD2 LEU 11 3HD2 LEU 11 -13.586 3.963 3.963 83 3HD2 LEU 11 1HD2 LEU 11 -12.502 4.187 4.187 84 H LYS 12 H LYS 12 -13.662 -0.839 -0.839 85 HA LYS 12 HA LYS 12 -12.670 -2.350 -2.350 86 1HB LYS 12 1HB LYS 12 -15.160 -2.711 -2.711 87 2HB LYS 12 2HB LYS 12 -15.487 -1.582 -1.582 88 1HG LYS 12 1HG LYS 12 -15.643 -3.849 -3.849 89 2HG LYS 12 2HG LYS 12 -14.181 -3.119 -3.119 90 1HD LYS 12 1HD LYS 12 -13.114 -4.401 -4.401 91 2HD LYS 12 2HD LYS 12 -14.558 -5.406 -5.406 92 1HE LYS 12 1HE LYS 12 -13.411 -4.868 -4.868 93 2HE LYS 12 2HE LYS 12 -12.100 -5.436 -5.436 94 1HZ LYS 12 2HZ LYS 12 -13.750 -7.217 -7.217 95 2HZ LYS 12 3HZ LYS 12 -14.656 -6.794 -6.794 96 3HZ LYS 12 1HZ LYS 12 -13.083 -7.359 -7.359 97 H GLU 13 H GLU 13 -11.106 -0.581 -0.581 98 HA GLU 13 HA GLU 13 -10.499 -0.495 -0.495 99 1HB GLU 13 1HB GLU 13 -13.067 0.474 0.474 100 2HB GLU 13 2HB GLU 13 -12.251 1.991 1.991 101 1HG GLU 13 1HG GLU 13 -10.808 1.504 1.504 102 2HG GLU 13 2HG GLU 13 -11.848 0.138 0.138 103 H PHE 14 H PHE 14 -11.449 2.592 2.592 104 HA PHE 14 HA PHE 14 -8.914 3.759 3.759 105 1HB PHE 14 1HB PHE 14 -10.901 5.013 5.013 106 2HB PHE 14 2HB PHE 14 -11.387 3.835 3.835 107 HD1 PHE 14 HD1 PHE 14 -9.795 3.557 3.557 108 HD2 PHE 14 HD2 PHE 14 -9.770 6.980 6.980 109 HE1 PHE 14 HE1 PHE 14 -8.888 4.936 4.936 110 HE2 PHE 14 HE2 PHE 14 -8.864 8.356 8.356 111 HZ PHE 14 HZ PHE 14 -8.423 7.339 7.339 112 H GLY 15 H GLY 15 -9.798 0.889 0.889 113 1HA GLY 15 1HA GLY 15 -7.677 1.528 1.528 114 2HA GLY 15 2HA GLY 15 -8.881 0.227 0.227 115 H ASN 16 H ASN 16 -8.659 -0.859 -0.859 116 HA ASN 16 HA ASN 16 -6.421 -2.634 -2.634 117 1HB ASN 16 1HB ASN 16 -8.116 -3.155 -3.155 118 2HB ASN 16 2HB ASN 16 -8.122 -1.550 -1.550 119 1HD2 ASN 16 1HD2 ASN 16 -6.321 -3.080 -3.080 120 2HD2 ASN 16 2HD2 ASN 16 -7.919 -2.333 -2.333 121 H THR 17 H THR 17 -6.575 0.623 0.623 122 HA THR 17 HA THR 17 -4.051 0.561 0.561 123 HB THR 17 HB THR 17 -5.402 2.935 2.935 124 HG1 THR 17 HG1 THR 17 -6.229 3.348 3.348 125 1HG2 THR 17 3HG2 THR 17 -3.383 3.045 3.045 126 2HG2 THR 17 1HG2 THR 17 -4.282 4.434 4.434 127 3HG2 THR 17 2HG2 THR 17 -3.066 3.631 3.631 128 H LEU 18 H LEU 18 -4.818 1.353 1.353 129 HA LEU 18 HA LEU 18 -2.074 2.080 2.080 130 1HB LEU 18 1HB LEU 18 -3.969 0.669 0.669 131 2HB LEU 18 2HB LEU 18 -2.802 1.932 1.932 132 HG LEU 18 HG LEU 18 -5.640 2.147 2.147 133 1HD1 LEU 18 3HD2 LEU 18 -4.954 2.638 2.638 134 2HD1 LEU 18 1HD2 LEU 18 -4.029 4.027 4.027 135 3HD1 LEU 18 2HD2 LEU 18 -5.800 3.987 3.987 136 1HD2 LEU 18 2HD1 LEU 18 -4.236 3.240 3.240 137 2HD2 LEU 18 3HD1 LEU 18 -5.265 4.415 4.415 138 3HD2 LEU 18 1HD1 LEU 18 -3.524 4.317 4.317 139 H GLU 19 H GLU 19 -3.721 -0.969 -0.969 140 HA GLU 19 HA GLU 19 -1.303 -2.366 -2.366 141 1HB GLU 19 1HB GLU 19 -3.903 -2.826 -2.826 142 2HB GLU 19 2HB GLU 19 -3.875 -3.684 -3.684 143 1HG GLU 19 1HG GLU 19 -3.520 -5.483 -5.483 144 2HG GLU 19 2HG GLU 19 -1.856 -5.100 -5.100 145 H ASP 20 H ASP 20 -1.253 -1.018 -1.018 146 HA ASP 20 HA ASP 20 -0.027 -3.458 -3.458 147 1HB ASP 20 1HB ASP 20 -2.264 -2.522 -2.522 148 2HB ASP 20 2HB ASP 20 -1.288 -1.153 -1.153 149 H LYS 21 H LYS 21 -0.107 0.055 0.055 150 HA LYS 21 HA LYS 21 2.687 0.158 0.158 151 1HB LYS 21 1HB LYS 21 2.175 2.347 2.347 152 2HB LYS 21 2HB LYS 21 0.514 1.854 1.854 153 1HG LYS 21 1HG LYS 21 1.616 2.622 2.622 154 2HG LYS 21 2HG LYS 21 2.156 3.839 3.839 155 1HD LYS 21 1HD LYS 21 -0.092 4.530 4.530 156 2HD LYS 21 2HD LYS 21 -0.782 2.967 2.967 157 1HE LYS 21 1HE LYS 21 -0.988 3.630 3.630 158 2HE LYS 21 2HE LYS 21 0.726 4.065 4.065 159 1HZ LYS 21 1HZ LYS 21 -1.089 5.848 5.848 160 2HZ LYS 21 2HZ LYS 21 -1.099 5.879 5.879 161 3HZ LYS 21 3HZ LYS 21 0.321 6.208 6.208 162 H ALA 22 H ALA 22 1.094 0.264 0.264 163 HA ALA 22 HA ALA 22 3.452 1.292 1.292 164 1HB ALA 22 2HB ALA 22 1.110 1.289 1.289 165 2HB ALA 22 3HB ALA 22 1.075 -0.490 -0.490 166 3HB ALA 22 1HB ALA 22 2.193 0.369 0.369 167 H ARG 23 H ARG 23 2.527 -1.800 -1.800 168 HA ARG 23 HA ARG 23 4.354 -3.496 -3.496 169 1HB ARG 23 1HB ARG 23 2.989 -3.485 -3.485 170 2HB ARG 23 2HB ARG 23 4.535 -4.309 -4.309 171 1HG ARG 23 1HG ARG 23 2.714 -5.952 -5.952 172 2HG ARG 23 2HG ARG 23 3.814 -5.857 -5.857 173 1HD ARG 23 1HD ARG 23 1.579 -3.865 -3.865 174 2HD ARG 23 2HD ARG 23 0.998 -5.542 -5.542 175 HE ARG 23 HE ARG 23 2.863 -4.484 -4.484 176 1HH1 ARG 23 2HH2 ARG 23 0.953 -7.135 -7.135 177 2HH1 ARG 23 1HH2 ARG 23 1.062 -8.033 -8.033 178 1HH2 ARG 23 1HH1 ARG 23 2.930 -5.514 -5.514 179 2HH2 ARG 23 2HH1 ARG 23 2.139 -7.162 -7.162 180 H GLU 24 H GLU 24 4.984 -1.341 -1.341 181 HA GLU 24 HA GLU 24 7.767 -2.348 -2.348 182 1HB GLU 24 1HB GLU 24 6.630 0.330 0.330 183 2HB GLU 24 2HB GLU 24 7.977 -0.559 -0.559 184 1HG GLU 24 1HG GLU 24 6.564 -2.162 -2.162 185 2HG GLU 24 2HG GLU 24 5.227 -1.933 -1.933 186 H LEU 25 H LEU 25 6.265 0.492 0.492 187 HA LEU 25 HA LEU 25 8.787 1.731 1.731 188 1HB LEU 25 1HB LEU 25 6.991 3.230 3.230 189 2HB LEU 25 2HB LEU 25 5.851 1.986 1.986 190 HG LEU 25 HG LEU 25 8.003 2.791 2.791 191 1HD1 LEU 25 2HD1 LEU 25 7.141 4.971 4.971 192 2HD1 LEU 25 3HD1 LEU 25 5.464 4.470 4.470 193 3HD1 LEU 25 1HD1 LEU 25 6.607 4.723 4.723 194 1HD2 LEU 25 2HD2 LEU 25 5.029 1.964 1.964 195 2HD2 LEU 25 3HD2 LEU 25 6.458 0.971 0.971 196 3HD2 LEU 25 1HD2 LEU 25 6.110 2.405 2.405 197 H ILE 26 H ILE 26 6.999 -0.974 -0.974 198 HA ILE 26 HA ILE 26 8.192 -0.909 -0.909 199 HB ILE 26 HB ILE 26 6.500 -2.820 -2.820 200 1HG1 ILE 26 1HG1 ILE 26 6.272 -2.460 -2.460 201 2HG1 ILE 26 2HG1 ILE 26 5.791 -1.148 -1.148 202 1HG2 ILE 26 2HG2 ILE 26 8.321 -4.456 -4.456 203 2HG2 ILE 26 3HG2 ILE 26 8.159 -3.951 -3.951 204 3HG2 ILE 26 1HG2 ILE 26 6.845 -4.805 -4.805 205 1HD1 ILE 26 2HD1 ILE 26 4.134 -2.613 -2.613 206 2HD1 ILE 26 3HD1 ILE 26 4.512 -3.947 -3.947 207 3HD1 ILE 26 1HD1 ILE 26 3.796 -2.450 -2.450 208 H SER 27 H SER 27 9.172 -2.198 -2.198 209 HA SER 27 HA SER 27 11.472 -3.704 -3.704 210 1HB SER 27 1HB SER 27 11.173 -4.416 -4.416 211 2HB SER 27 2HB SER 27 10.525 -2.885 -2.885 212 HG SER 27 HG SER 27 12.751 -3.678 -3.678 213 H ARG 28 H ARG 28 10.915 -0.406 -0.406 214 HA ARG 28 HA ARG 28 13.713 0.439 0.439 215 1HB ARG 28 1HB ARG 28 12.237 1.833 1.833 216 2HB ARG 28 2HB ARG 28 11.002 1.915 1.915 217 1HG ARG 28 1HG ARG 28 13.296 3.081 3.081 218 2HG ARG 28 2HG ARG 28 13.458 3.602 3.602 219 1HD ARG 28 1HD ARG 28 10.714 4.050 4.050 220 2HD ARG 28 2HD ARG 28 11.429 4.375 4.375 221 HE ARG 28 HE ARG 28 11.954 5.868 5.868 222 1HH1 ARG 28 2HH2 ARG 28 12.967 5.378 5.378 223 2HH1 ARG 28 1HH2 ARG 28 13.868 6.988 6.988 224 1HH2 ARG 28 1HH1 ARG 28 12.951 7.593 7.593 225 2HH2 ARG 28 2HH1 ARG 28 13.863 8.197 8.197 226 H ILE 29 H ILE 29 10.972 -0.182 -0.182 227 HA ILE 29 HA ILE 29 11.950 1.633 1.633 228 HB ILE 29 HB ILE 29 9.579 -0.230 -0.230 229 1HG1 ILE 29 1HG1 ILE 29 8.574 1.774 1.774 230 2HG1 ILE 29 2HG1 ILE 29 8.609 2.009 2.009 231 1HG2 ILE 29 2HG2 ILE 29 10.358 -0.932 -0.932 232 2HG2 ILE 29 3HG2 ILE 29 10.385 0.771 0.771 233 3HG2 ILE 29 1HG2 ILE 29 8.860 -0.044 -0.044 234 1HD1 ILE 29 2HD1 ILE 29 10.781 3.279 3.279 235 2HD1 ILE 29 3HD1 ILE 29 10.731 3.160 3.160 236 3HD1 ILE 29 1HD1 ILE 29 9.460 4.042 4.042 237 H LYS 30 H LYS 30 12.154 -1.731 -1.731 238 HA LYS 30 HA LYS 30 13.292 -2.646 -2.646 239 1HB LYS 30 1HB LYS 30 13.310 -3.606 -3.606 240 2HB LYS 30 2HB LYS 30 14.578 -4.259 -4.259 241 1HG LYS 30 1HG LYS 30 12.432 -5.682 -5.682 242 2HG LYS 30 2HG LYS 30 12.959 -5.262 -5.262 243 1HD LYS 30 1HD LYS 30 11.129 -3.723 -3.723 244 2HD LYS 30 2HD LYS 30 10.893 -3.532 -3.532 245 1HE LYS 30 1HE LYS 30 9.100 -5.033 -5.033 246 2HE LYS 30 2HE LYS 30 10.209 -6.012 -6.012 247 1HZ LYS 30 2HZ LYS 30 10.781 -5.754 -5.754 248 2HZ LYS 30 3HZ LYS 30 9.509 -6.745 -6.745 249 3HZ LYS 30 1HZ LYS 30 11.064 -7.040 -7.040 250 H GLN 31 H GLN 31 14.656 -1.002 -1.002 251 HA GLN 31 HA GLN 31 17.431 -1.306 -1.306 252 1HB GLN 31 1HB GLN 31 16.397 -1.269 -1.269 253 2HB GLN 31 2HB GLN 31 16.987 0.385 0.385 254 1HG GLN 31 1HG GLN 31 19.256 -0.939 -0.939 255 2HG GLN 31 2HG GLN 31 18.578 -2.235 -2.235 256 1HE2 GLN 31 2HE2 GLN 31 20.137 1.024 1.024 257 2HE2 GLN 31 1HE2 GLN 31 19.500 1.204 1.204 258 H SER 32 H SER 32 15.650 0.169 0.169 259 HA SER 32 HA SER 32 17.515 2.403 2.403 260 1HB SER 32 1HB SER 32 15.836 4.306 4.306 261 2HB SER 32 2HB SER 32 16.335 3.631 3.631 262 HG SER 32 HG SER 32 14.320 2.228 2.228 263 H GLU 33 H GLU 33 16.371 0.115 0.115 264 HA GLU 33 HA GLU 33 15.426 1.656 1.656 265 1HB GLU 33 1HB GLU 33 14.130 -0.532 -0.532 266 2HB GLU 33 2HB GLU 33 14.476 -1.089 -1.089 267 1HG GLU 33 1HG GLU 33 13.235 1.576 1.576 268 2HG GLU 33 2HG GLU 33 12.287 0.655 0.655 269 H LEU 34 H LEU 34 18.073 0.785 0.785 270 HA LEU 34 HA LEU 34 18.721 -1.025 -1.025 271 1HB LEU 34 1HB LEU 34 21.092 -1.033 -1.033 272 2HB LEU 34 2HB LEU 34 19.835 -1.897 -1.897 273 HG LEU 34 HG LEU 34 20.653 0.962 0.962 274 1HD1 LEU 34 2HD1 LEU 34 22.693 -0.504 -0.504 275 2HD1 LEU 34 3HD1 LEU 34 21.850 -1.689 -1.689 276 3HD1 LEU 34 1HD1 LEU 34 22.203 -0.057 -0.057 277 1HD2 LEU 34 2HD2 LEU 34 19.242 -1.295 -1.295 278 2HD2 LEU 34 3HD2 LEU 34 18.515 0.232 0.232 279 3HD2 LEU 34 1HD2 LEU 34 19.766 0.267 0.267 280 H SER 35 H SER 35 19.640 2.033 2.033 281 HA SER 35 HA SER 35 20.575 3.971 3.971 282 1HB SER 35 1HB SER 35 19.109 2.671 2.671 283 2HB SER 35 2HB SER 35 20.356 3.800 3.800 284 HG SER 35 HG SER 35 18.705 5.119 5.119 285 H ALA 36 H ALA 36 22.020 1.307 1.307 286 HA ALA 36 HA ALA 36 24.398 1.126 1.126 287 1HB ALA 36 2HB ALA 36 24.648 3.608 3.608 288 2HB ALA 36 3HB ALA 36 24.464 3.447 3.447 289 3HB ALA 36 1HB ALA 36 25.891 2.765 2.765 290 H LYS 37 H LYS 37 22.723 1.344 1.344 291 HA LYS 37 HA LYS 37 24.492 -0.978 -0.978 292 1HB LYS 37 1HB LYS 37 25.082 0.853 0.853 293 2HB LYS 37 2HB LYS 37 23.450 1.504 1.504 294 1HG LYS 37 1HG LYS 37 23.112 -1.083 -1.083 295 2HG LYS 37 2HG LYS 37 24.708 -0.604 -0.604 296 1HD LYS 37 1HD LYS 37 23.423 1.670 1.670 297 2HD LYS 37 2HD LYS 37 21.964 0.678 0.678 298 1HE LYS 37 1HE LYS 37 22.860 -1.045 -1.045 299 2HE LYS 37 2HE LYS 37 24.380 -0.153 -0.153 300 1HZ LYS 37 2HZ LYS 37 21.838 1.253 1.253 301 2HZ LYS 37 3HZ LYS 37 22.478 0.231 0.231 302 3HZ LYS 37 1HZ LYS 37 23.370 1.549 1.549 303 H MET 38 H MET 38 21.296 0.499 0.499 304 HA MET 38 HA MET 38 20.084 -1.507 -1.507 305 1HB MET 38 1HB MET 38 19.243 0.911 0.911 306 2HB MET 38 2HB MET 38 18.286 -0.280 -0.280 307 1HG MET 38 1HG MET 38 18.221 -0.655 -0.655 308 2HG MET 38 2HG MET 38 17.541 0.873 0.873 309 1HE MET 38 2HE MET 38 16.645 -2.038 -2.038 310 2HE MET 38 1HE MET 38 15.315 -0.840 -0.840 311 3HE MET 38 3HE MET 38 15.053 -2.458 -2.458 Start of MODEL 4 1 1H THR 1 2H THR 1 -27.324 -2.448 -2.448 2 2H THR 1 3H THR 1 -26.076 -1.383 -1.383 3 3H THR 1 1H THR 1 -26.259 -1.954 -1.954 4 HA THR 1 HA THR 1 -25.442 -3.989 -3.989 5 HB THR 1 HB THR 1 -23.930 -1.777 -1.777 6 HG1 THR 1 HG1 THR 1 -22.209 -3.220 -3.220 7 1HG2 THR 1 3HG2 THR 1 -23.643 -3.926 -3.926 8 2HG2 THR 1 1HG2 THR 1 -22.539 -2.554 -2.554 9 3HG2 THR 1 2HG2 THR 1 -24.198 -2.255 -2.255 10 HA PRO 2 HA PRO 2 -26.786 -6.598 -6.598 11 1HB PRO 2 1HB PRO 2 -23.855 -7.229 -7.229 12 2HB PRO 2 2HB PRO 2 -25.334 -8.381 -8.381 13 1HG PRO 2 1HG PRO 2 -23.529 -7.768 -7.768 14 2HG PRO 2 2HG PRO 2 -25.398 -7.959 -7.959 15 1HD PRO 2 1HD PRO 2 -23.445 -5.581 -5.581 16 2HD PRO 2 2HD PRO 2 -24.721 -5.797 -5.797 17 H ASP 3 H ASP 3 -25.524 -7.574 -7.574 18 HA ASP 3 HA ASP 3 -25.730 -5.386 -5.386 19 1HB ASP 3 1HB ASP 3 -25.698 -8.104 -8.104 20 2HB ASP 3 2HB ASP 3 -23.988 -7.851 -7.851 21 H VAL 4 H VAL 4 -23.217 -6.148 -6.148 22 HA VAL 4 HA VAL 4 -21.243 -4.502 -4.502 23 HB VAL 4 HB VAL 4 -20.641 -6.531 -6.531 24 1HG1 VAL 4 1HG2 VAL 4 -20.964 -4.535 -4.535 25 2HG1 VAL 4 2HG2 VAL 4 -20.166 -6.125 -6.125 26 3HG1 VAL 4 3HG2 VAL 4 -21.888 -6.038 -6.038 27 1HG2 VAL 4 2HG1 VAL 4 -18.836 -4.943 -4.943 28 2HG2 VAL 4 3HG1 VAL 4 -18.469 -5.616 -5.616 29 3HG2 VAL 4 1HG1 VAL 4 -19.064 -3.942 -3.942 30 H SER 5 H SER 5 -23.425 -3.072 -3.072 31 HA SER 5 HA SER 5 -22.664 -1.030 -1.030 32 1HB SER 5 1HB SER 5 -24.832 0.119 0.119 33 2HB SER 5 2HB SER 5 -25.092 -1.517 -1.517 34 HG SER 5 HG SER 5 -25.955 -1.991 -1.991 35 H SER 6 H SER 6 -23.266 -1.391 -1.391 36 HA SER 6 HA SER 6 -21.224 0.863 0.863 37 1HB SER 6 1HB SER 6 -23.825 1.265 1.265 38 2HB SER 6 2HB SER 6 -23.346 0.423 0.423 39 HG SER 6 HG SER 6 -21.587 1.996 1.996 40 H ALA 7 H ALA 7 -20.771 -1.879 -1.879 41 HA ALA 7 HA ALA 7 -20.056 -2.809 -2.809 42 1HB ALA 7 2HB ALA 7 -20.829 -4.457 -4.457 43 2HB ALA 7 3HB ALA 7 -19.463 -4.013 -4.013 44 3HB ALA 7 1HB ALA 7 -19.170 -4.845 -4.845 45 H LEU 8 H LEU 8 -18.624 -1.005 -1.005 46 HA LEU 8 HA LEU 8 -15.840 -1.326 -1.326 47 1HB LEU 8 1HB LEU 8 -16.374 -0.396 -0.396 48 2HB LEU 8 2HB LEU 8 -17.209 0.967 0.967 49 HG LEU 8 HG LEU 8 -14.235 0.513 0.513 50 1HD1 LEU 8 2HD1 LEU 8 -14.520 0.425 0.425 51 2HD1 LEU 8 3HD1 LEU 8 -15.407 1.969 1.969 52 3HD1 LEU 8 1HD1 LEU 8 -13.690 1.913 1.913 53 1HD2 LEU 8 2HD2 LEU 8 -15.993 3.066 3.066 54 2HD2 LEU 8 3HD2 LEU 8 -15.311 2.287 2.287 55 3HD2 LEU 8 1HD2 LEU 8 -14.229 3.048 3.048 56 H ASP 9 H ASP 9 -18.548 0.667 0.667 57 HA ASP 9 HA ASP 9 -17.091 2.334 2.334 58 1HB ASP 9 1HB ASP 9 -19.457 2.886 2.886 59 2HB ASP 9 2HB ASP 9 -20.022 1.341 1.341 60 H LYS 10 H LYS 10 -18.600 -0.829 -0.829 61 HA LYS 10 HA LYS 10 -18.076 -1.237 -1.237 62 1HB LYS 10 1HB LYS 10 -18.305 -3.020 -3.020 63 2HB LYS 10 2HB LYS 10 -17.425 -3.740 -3.740 64 1HG LYS 10 1HG LYS 10 -19.490 -2.999 -2.999 65 2HG LYS 10 2HG LYS 10 -20.330 -2.680 -2.680 66 1HD LYS 10 1HD LYS 10 -19.826 -5.167 -5.167 67 2HD LYS 10 2HD LYS 10 -19.211 -5.360 -5.360 68 1HE LYS 10 1HE LYS 10 -21.504 -4.263 -4.263 69 2HE LYS 10 2HE LYS 10 -22.093 -4.603 -4.603 70 1HZ LYS 10 1HZ LYS 10 -20.695 -6.782 -6.782 71 2HZ LYS 10 2HZ LYS 10 -22.224 -6.372 -6.372 72 3HZ LYS 10 3HZ LYS 10 -22.016 -6.824 -6.824 73 H LEU 11 H LEU 11 -15.898 -1.690 -1.690 74 HA LEU 11 HA LEU 11 -13.573 -1.848 -1.848 75 1HB LEU 11 1HB LEU 11 -13.918 -2.078 -2.078 76 2HB LEU 11 2HB LEU 11 -12.352 -1.548 -1.548 77 HG LEU 11 HG LEU 11 -11.945 -3.805 -3.805 78 1HD1 LEU 11 2HD1 LEU 11 -11.541 -3.180 -3.180 79 2HD1 LEU 11 3HD1 LEU 11 -13.194 -3.681 -3.681 80 3HD1 LEU 11 1HD1 LEU 11 -12.013 -4.883 -4.883 81 1HD2 LEU 11 2HD2 LEU 11 -14.865 -4.417 -4.417 82 2HD2 LEU 11 3HD2 LEU 11 -14.181 -4.541 -4.541 83 3HD2 LEU 11 1HD2 LEU 11 -13.630 -5.650 -5.650 84 H LYS 12 H LYS 12 -13.236 0.075 0.075 85 HA LYS 12 HA LYS 12 -12.508 2.334 2.334 86 1HB LYS 12 1HB LYS 12 -15.011 2.504 2.504 87 2HB LYS 12 2HB LYS 12 -14.474 2.812 2.812 88 1HG LYS 12 1HG LYS 12 -13.401 4.549 4.549 89 2HG LYS 12 2HG LYS 12 -15.004 4.858 4.858 90 1HD LYS 12 1HD LYS 12 -14.109 5.784 5.784 91 2HD LYS 12 2HD LYS 12 -12.790 4.600 4.600 92 1HE LYS 12 1HE LYS 12 -11.368 6.192 6.192 93 2HE LYS 12 2HE LYS 12 -12.222 6.028 6.028 94 1HZ LYS 12 1HZ LYS 12 -13.472 7.693 7.693 95 2HZ LYS 12 2HZ LYS 12 -12.129 8.300 8.300 96 3HZ LYS 12 3HZ LYS 12 -13.500 7.848 7.848 97 H GLU 13 H GLU 13 -13.124 2.913 2.913 98 HA GLU 13 HA GLU 13 -10.670 3.894 3.894 99 1HB GLU 13 1HB GLU 13 -12.726 3.420 3.420 100 2HB GLU 13 2HB GLU 13 -12.311 1.724 1.724 101 1HG GLU 13 1HG GLU 13 -9.991 2.635 2.635 102 2HG GLU 13 2HG GLU 13 -10.932 4.065 4.065 103 H PHE 14 H PHE 14 -11.240 0.441 0.441 104 HA PHE 14 HA PHE 14 -8.741 -0.416 -0.416 105 1HB PHE 14 1HB PHE 14 -10.016 -2.333 -2.333 106 2HB PHE 14 2HB PHE 14 -10.959 -1.758 -1.758 107 HD1 PHE 14 HD2 PHE 14 -9.623 -1.728 -1.728 108 HD2 PHE 14 HD1 PHE 14 -8.546 -4.126 -4.126 109 HE1 PHE 14 HE2 PHE 14 -8.480 -3.331 -3.331 110 HE2 PHE 14 HE1 PHE 14 -7.450 -5.747 -5.747 111 HZ PHE 14 HZ PHE 14 -7.414 -5.357 -5.357 112 H GLY 15 H GLY 15 -9.420 0.638 0.638 113 1HA GLY 15 1HA GLY 15 -6.805 -0.513 -0.513 114 2HA GLY 15 2HA GLY 15 -7.961 0.454 0.454 115 H ASN 16 H ASN 16 -8.300 2.658 2.658 116 HA ASN 16 HA ASN 16 -6.097 4.385 4.385 117 1HB ASN 16 1HB ASN 16 -8.376 5.128 5.128 118 2HB ASN 16 2HB ASN 16 -8.082 4.436 4.436 119 1HD2 ASN 16 1HD2 ASN 16 -7.222 7.791 7.791 120 2HD2 ASN 16 2HD2 ASN 16 -8.516 6.478 6.478 121 H THR 17 H THR 17 -6.498 2.096 2.096 122 HA THR 17 HA THR 17 -4.471 3.261 3.261 123 HB THR 17 HB THR 17 -5.167 0.258 0.258 124 HG1 THR 17 HG1 THR 17 -6.824 0.748 0.748 125 1HG2 THR 17 3HG2 THR 17 -4.430 1.953 1.953 126 2HG2 THR 17 1HG2 THR 17 -4.901 0.235 0.235 127 3HG2 THR 17 2HG2 THR 17 -3.388 0.719 0.719 128 H LEU 18 H LEU 18 -4.295 0.784 0.784 129 HA LEU 18 HA LEU 18 -1.425 0.289 0.289 130 1HB LEU 18 1HB LEU 18 -2.713 0.210 0.210 131 2HB LEU 18 2HB LEU 18 -1.530 -0.882 -0.882 132 HG LEU 18 HG LEU 18 -4.553 -0.818 -0.818 133 1HD1 LEU 18 2HD1 LEU 18 -3.758 -1.990 -1.990 134 2HD1 LEU 18 3HD1 LEU 18 -2.672 -3.016 -3.016 135 3HD1 LEU 18 1HD1 LEU 18 -4.437 -3.146 -3.146 136 1HD2 LEU 18 2HD2 LEU 18 -2.451 -2.511 -2.511 137 2HD2 LEU 18 3HD2 LEU 18 -3.538 -1.280 -1.280 138 3HD2 LEU 18 1HD2 LEU 18 -4.215 -2.782 -2.782 139 H GLU 19 H GLU 19 -3.199 2.825 2.825 140 HA GLU 19 HA GLU 19 -0.651 3.800 3.800 141 1HB GLU 19 1HB GLU 19 -3.101 3.722 3.722 142 2HB GLU 19 2HB GLU 19 -3.444 5.116 5.116 143 1HG GLU 19 1HG GLU 19 -2.942 5.942 5.942 144 2HG GLU 19 2HG GLU 19 -1.608 6.434 6.434 145 H ASP 20 H ASP 20 -1.119 3.822 3.822 146 HA ASP 20 HA ASP 20 -0.071 6.672 6.672 147 1HB ASP 20 1HB ASP 20 -2.511 6.281 6.281 148 2HB ASP 20 2HB ASP 20 -1.685 5.378 5.378 149 H LYS 21 H LYS 21 -0.224 3.481 3.481 150 HA LYS 21 HA LYS 21 2.323 3.950 3.950 151 1HB LYS 21 1HB LYS 21 1.164 1.166 1.166 152 2HB LYS 21 2HB LYS 21 2.029 1.698 1.698 153 1HG LYS 21 1HG LYS 21 0.093 2.609 2.609 154 2HG LYS 21 2HG LYS 21 -0.567 3.174 3.174 155 1HD LYS 21 1HD LYS 21 -1.850 1.317 1.317 156 2HD LYS 21 2HD LYS 21 -1.521 0.990 0.990 157 1HE LYS 21 1HE LYS 21 0.029 -0.715 -0.715 158 2HE LYS 21 2HE LYS 21 0.698 0.100 0.100 159 1HZ LYS 21 2HZ LYS 21 -1.600 -0.392 -0.392 160 2HZ LYS 21 3HZ LYS 21 -1.746 -1.537 -1.537 161 3HZ LYS 21 1HZ LYS 21 -0.473 -1.634 -1.634 162 H ALA 22 H ALA 22 1.412 2.727 2.727 163 HA ALA 22 HA ALA 22 4.037 1.555 1.555 164 1HB ALA 22 2HB ALA 22 1.941 1.155 1.155 165 2HB ALA 22 3HB ALA 22 1.898 2.868 2.868 166 3HB ALA 22 1HB ALA 22 3.218 1.812 1.812 167 H ARG 23 H ARG 23 2.848 4.817 4.817 168 HA ARG 23 HA ARG 23 4.931 5.964 5.964 169 1HB ARG 23 1HB ARG 23 2.838 6.968 6.968 170 2HB ARG 23 2HB ARG 23 4.211 8.042 8.042 171 1HG ARG 23 1HG ARG 23 2.271 8.580 8.580 172 2HG ARG 23 2HG ARG 23 3.776 8.271 8.271 173 1HD ARG 23 1HD ARG 23 2.482 5.695 5.695 174 2HD ARG 23 2HD ARG 23 1.198 6.854 6.854 175 HE ARG 23 HE ARG 23 3.052 7.673 7.673 176 1HH1 ARG 23 2HH2 ARG 23 2.342 4.384 4.384 177 2HH1 ARG 23 1HH2 ARG 23 2.877 3.757 3.757 178 1HH2 ARG 23 2HH1 ARG 23 3.567 5.131 5.131 179 2HH2 ARG 23 1HH1 ARG 23 3.612 6.922 6.922 180 H GLU 24 H GLU 24 4.724 5.356 5.356 181 HA GLU 24 HA GLU 24 7.311 6.861 6.861 182 1HB GLU 24 1HB GLU 24 5.702 5.225 5.225 183 2HB GLU 24 2HB GLU 24 6.860 6.487 6.487 184 1HG GLU 24 1HG GLU 24 5.323 8.256 8.256 185 2HG GLU 24 2HG GLU 24 4.354 7.251 7.251 186 H LEU 25 H LEU 25 6.073 3.570 3.570 187 HA LEU 25 HA LEU 25 8.672 2.408 2.408 188 1HB LEU 25 1HB LEU 25 7.207 0.678 0.678 189 2HB LEU 25 2HB LEU 25 5.991 1.430 1.430 190 HG LEU 25 HG LEU 25 8.309 -0.159 -0.159 191 1HD1 LEU 25 2HD1 LEU 25 7.178 -1.627 -1.627 192 2HD1 LEU 25 3HD1 LEU 25 5.591 -1.294 -1.294 193 3HD1 LEU 25 1HD1 LEU 25 6.835 -2.182 -2.182 194 1HD2 LEU 25 2HD2 LEU 25 5.461 0.515 0.515 195 2HD2 LEU 25 3HD2 LEU 25 7.000 1.170 1.170 196 3HD2 LEU 25 1HD2 LEU 25 6.629 -0.542 -0.542 197 H ILE 26 H ILE 26 7.384 3.472 3.472 198 HA ILE 26 HA ILE 26 9.452 2.167 2.167 199 HB ILE 26 HB ILE 26 7.462 4.411 4.411 200 1HG1 ILE 26 1HG1 ILE 26 8.197 2.360 2.360 201 2HG1 ILE 26 2HG1 ILE 26 7.256 1.862 1.862 202 1HG2 ILE 26 2HG2 ILE 26 9.530 5.591 5.591 203 2HG2 ILE 26 3HG2 ILE 26 9.880 4.204 4.204 204 3HG2 ILE 26 1HG2 ILE 26 8.440 5.214 5.214 205 1HD1 ILE 26 2HD1 ILE 26 5.471 3.576 3.576 206 2HD1 ILE 26 3HD1 ILE 26 6.340 4.041 4.041 207 3HD1 ILE 26 1HD1 ILE 26 5.700 2.398 2.398 208 H SER 27 H SER 27 9.357 5.135 5.135 209 HA SER 27 HA SER 27 12.036 6.034 6.034 210 1HB SER 27 1HB SER 27 11.037 7.800 7.800 211 2HB SER 27 2HB SER 27 10.116 6.777 6.777 212 HG SER 27 HG SER 27 12.919 7.346 7.346 213 H ARG 28 H ARG 28 10.850 3.867 3.867 214 HA ARG 28 HA ARG 28 13.538 3.207 3.207 215 1HB ARG 28 1HB ARG 28 11.576 2.660 2.660 216 2HB ARG 28 2HB ARG 28 10.780 1.827 1.827 217 1HG ARG 28 1HG ARG 28 13.004 0.177 0.177 218 2HG ARG 28 2HG ARG 28 12.986 0.844 0.844 219 1HD ARG 28 1HD ARG 28 10.270 -0.022 -0.022 220 2HD ARG 28 2HD ARG 28 11.469 -1.340 -1.340 221 HE ARG 28 HE ARG 28 11.610 -1.138 -1.138 222 1HH1 ARG 28 2HH2 ARG 28 9.826 1.574 1.574 223 2HH1 ARG 28 1HH2 ARG 28 9.286 2.087 2.087 224 1HH2 ARG 28 1HH1 ARG 28 10.986 -0.524 -0.524 225 2HH2 ARG 28 2HH1 ARG 28 9.913 0.950 0.950 226 H ILE 29 H ILE 29 11.773 2.300 2.300 227 HA ILE 29 HA ILE 29 13.157 -0.328 -0.328 228 HB ILE 29 HB ILE 29 11.192 1.292 1.292 229 1HG1 ILE 29 1HG1 ILE 29 10.742 -1.634 -1.634 230 2HG1 ILE 29 2HG1 ILE 29 10.967 -1.053 -1.053 231 1HG2 ILE 29 2HG2 ILE 29 12.875 0.632 0.632 232 2HG2 ILE 29 3HG2 ILE 29 12.779 -1.067 -1.067 233 3HG2 ILE 29 1HG2 ILE 29 11.386 -0.249 -0.249 234 1HD1 ILE 29 2HD1 ILE 29 9.147 0.673 0.673 235 2HD1 ILE 29 3HD1 ILE 29 8.809 0.039 0.039 236 3HD1 ILE 29 1HD1 ILE 29 8.577 -0.998 -0.998 237 H LYS 30 H LYS 30 13.546 2.920 2.920 238 HA LYS 30 HA LYS 30 15.701 2.403 2.403 239 1HB LYS 30 1HB LYS 30 15.748 4.705 4.705 240 2HB LYS 30 2HB LYS 30 14.422 4.688 4.688 241 1HG LYS 30 1HG LYS 30 16.729 4.431 4.431 242 2HG LYS 30 2HG LYS 30 17.288 5.495 5.495 243 1HD LYS 30 1HD LYS 30 14.589 6.218 6.218 244 2HD LYS 30 2HD LYS 30 15.861 6.193 6.193 245 1HE LYS 30 1HE LYS 30 16.725 7.477 7.477 246 2HE LYS 30 2HE LYS 30 15.427 8.353 8.353 247 1HZ LYS 30 3HZ LYS 30 16.917 7.893 7.893 248 2HZ LYS 30 1HZ LYS 30 18.141 7.772 7.772 249 3HZ LYS 30 2HZ LYS 30 17.234 9.183 9.183 250 H GLN 31 H GLN 31 15.787 2.955 2.955 251 HA GLN 31 HA GLN 31 18.776 2.466 2.466 252 1HB GLN 31 1HB GLN 31 17.095 4.192 4.192 253 2HB GLN 31 2HB GLN 31 17.335 2.899 2.899 254 1HG GLN 31 1HG GLN 31 19.976 3.283 3.283 255 2HG GLN 31 2HG GLN 31 19.427 4.830 4.830 256 1HE2 GLN 31 2HE2 GLN 31 20.536 4.975 4.975 257 2HE2 GLN 31 1HE2 GLN 31 21.269 4.234 4.234 258 H SER 32 H SER 32 17.346 0.275 0.275 259 HA SER 32 HA SER 32 18.569 -1.662 -1.662 260 1HB SER 32 1HB SER 32 15.693 -0.950 -0.950 261 2HB SER 32 2HB SER 32 15.969 -2.679 -2.679 262 HG SER 32 HG SER 32 17.299 -2.615 -2.615 263 H GLU 33 H GLU 33 18.669 -1.064 -1.064 264 HA GLU 33 HA GLU 33 17.472 -3.649 -3.649 265 1HB GLU 33 1HB GLU 33 17.162 -0.818 -0.818 266 2HB GLU 33 2HB GLU 33 17.918 -1.705 -1.705 267 1HG GLU 33 1HG GLU 33 15.662 -3.339 -3.339 268 2HG GLU 33 2HG GLU 33 15.071 -1.696 -1.696 269 H LEU 34 H LEU 34 20.072 -3.073 -3.073 270 HA LEU 34 HA LEU 34 21.719 -3.921 -3.921 271 1HB LEU 34 1HB LEU 34 23.728 -2.896 -2.896 272 2HB LEU 34 2HB LEU 34 22.704 -1.826 -1.826 273 HG LEU 34 HG LEU 34 22.382 -2.279 -2.279 274 1HD1 LEU 34 2HD1 LEU 34 24.618 -1.267 -1.267 275 2HD1 LEU 34 3HD1 LEU 34 23.833 0.021 0.021 276 3HD1 LEU 34 1HD1 LEU 34 23.568 -0.089 -0.089 277 1HD2 LEU 34 2HD2 LEU 34 21.174 -0.118 -0.118 278 2HD2 LEU 34 3HD2 LEU 34 20.289 -1.401 -1.401 279 3HD2 LEU 34 1HD2 LEU 34 21.064 -0.106 -0.106 280 H SER 35 H SER 35 21.414 -4.047 -4.047 281 HA SER 35 HA SER 35 22.035 -5.770 -5.770 282 1HB SER 35 1HB SER 35 21.602 -7.954 -7.954 283 2HB SER 35 2HB SER 35 20.913 -7.217 -7.217 284 HG SER 35 HG SER 35 22.486 -8.996 -8.996 285 H ALA 36 H ALA 36 23.980 -4.095 -4.095 286 HA ALA 36 HA ALA 36 26.202 -3.595 -3.595 287 1HB ALA 36 2HB ALA 36 25.843 -4.951 -4.951 288 2HB ALA 36 3HB ALA 36 26.206 -6.456 -6.456 289 3HB ALA 36 1HB ALA 36 27.479 -5.237 -5.237 290 H LYS 37 H LYS 37 25.416 -6.535 -6.535 291 HA LYS 37 HA LYS 37 27.808 -5.845 -5.845 292 1HB LYS 37 1HB LYS 37 28.464 -8.071 -8.071 293 2HB LYS 37 2HB LYS 37 27.617 -8.204 -8.204 294 1HG LYS 37 1HG LYS 37 25.623 -9.172 -9.172 295 2HG LYS 37 2HG LYS 37 26.124 -8.647 -8.647 296 1HD LYS 37 1HD LYS 37 27.929 -10.579 -10.579 297 2HD LYS 37 2HD LYS 37 26.366 -11.196 -11.196 298 1HE LYS 37 1HE LYS 37 27.999 -9.532 -9.532 299 2HE LYS 37 2HE LYS 37 28.581 -11.170 -11.170 300 1HZ LYS 37 3HZ LYS 37 25.709 -10.779 -10.779 301 2HZ LYS 37 1HZ LYS 37 26.791 -10.774 -10.774 302 3HZ LYS 37 2HZ LYS 37 26.680 -12.121 -12.121 303 H MET 38 H MET 38 24.532 -7.131 -7.131 304 HA MET 38 HA MET 38 24.290 -7.438 -7.438 305 1HB MET 38 1HB MET 38 22.793 -8.258 -8.258 306 2HB MET 38 2HB MET 38 21.720 -7.130 -7.130 307 1HG MET 38 1HG MET 38 22.864 -9.048 -9.048 308 2HG MET 38 2HG MET 38 22.057 -9.872 -9.872 309 1HE MET 38 3HE MET 38 22.162 -7.753 -7.753 310 2HE MET 38 2HE MET 38 20.908 -8.794 -8.794 311 3HE MET 38 1HE MET 38 20.538 -7.085 -7.085 Start of MODEL 5 1 1H THR 1 2H THR 1 -15.258 -10.488 -10.488 2 2H THR 1 3H THR 1 -14.745 -9.027 -9.027 3 3H THR 1 1H THR 1 -13.642 -10.034 -10.034 4 HA THR 1 HA THR 1 -14.275 -9.497 -9.497 5 HB THR 1 HB THR 1 -15.421 -6.942 -6.942 6 HG1 THR 1 HG1 THR 1 -13.361 -6.347 -6.347 7 1HG2 THR 1 3HG2 THR 1 -13.071 -7.373 -7.373 8 2HG2 THR 1 1HG2 THR 1 -13.717 -5.794 -5.794 9 3HG2 THR 1 2HG2 THR 1 -14.719 -6.875 -6.875 10 HA PRO 2 HA PRO 2 -18.452 -10.108 -10.108 11 1HB PRO 2 1HB PRO 2 -17.786 -7.795 -7.795 12 2HB PRO 2 2HB PRO 2 -18.516 -9.495 -9.495 13 1HG PRO 2 1HG PRO 2 -15.805 -8.880 -8.880 14 2HG PRO 2 2HG PRO 2 -16.477 -10.518 -10.518 15 1HD PRO 2 1HD PRO 2 -15.310 -7.937 -7.937 16 2HD PRO 2 2HD PRO 2 -14.790 -9.686 -9.686 17 H ASP 3 H ASP 3 -20.113 -8.407 -8.407 18 HA ASP 3 HA ASP 3 -21.294 -6.893 -6.893 19 1HB ASP 3 1HB ASP 3 -22.710 -7.470 -7.470 20 2HB ASP 3 2HB ASP 3 -21.596 -6.717 -6.717 21 H VAL 4 H VAL 4 -20.082 -5.634 -5.634 22 HA VAL 4 HA VAL 4 -17.931 -4.001 -4.001 23 HB VAL 4 HB VAL 4 -17.831 -4.739 -4.739 24 1HG1 VAL 4 1HG2 VAL 4 -20.268 -2.945 -2.945 25 2HG1 VAL 4 2HG2 VAL 4 -19.228 -3.778 -3.778 26 3HG1 VAL 4 3HG2 VAL 4 -20.217 -4.722 -4.722 27 1HG2 VAL 4 2HG1 VAL 4 -16.641 -2.553 -2.553 28 2HG2 VAL 4 3HG1 VAL 4 -17.187 -2.658 -2.658 29 3HG2 VAL 4 1HG1 VAL 4 -18.085 -1.650 -1.650 30 H SER 5 H SER 5 -21.301 -3.431 -3.431 31 HA SER 5 HA SER 5 -21.284 -0.543 -0.543 32 1HB SER 5 1HB SER 5 -23.357 -2.654 -2.654 33 2HB SER 5 2HB SER 5 -23.677 -0.966 -0.966 34 HG SER 5 HG SER 5 -22.919 -1.864 -1.864 35 H SER 6 H SER 6 -22.016 -2.775 -2.775 36 HA SER 6 HA SER 6 -20.789 -0.680 -0.680 37 1HB SER 6 1HB SER 6 -22.632 -3.096 -3.096 38 2HB SER 6 2HB SER 6 -21.821 -2.250 -2.250 39 HG SER 6 HG SER 6 -22.882 -0.302 -0.302 40 H ALA 7 H ALA 7 -19.251 -2.230 -2.230 41 HA ALA 7 HA ALA 7 -17.621 -3.816 -3.816 42 1HB ALA 7 2HB ALA 7 -17.932 -4.830 -4.830 43 2HB ALA 7 3HB ALA 7 -17.204 -3.395 -3.395 44 3HB ALA 7 1HB ALA 7 -16.218 -4.461 -4.461 45 H LEU 8 H LEU 8 -15.399 -3.379 -3.379 46 HA LEU 8 HA LEU 8 -14.254 -1.745 -1.745 47 1HB LEU 8 1HB LEU 8 -13.103 -2.104 -2.104 48 2HB LEU 8 2HB LEU 8 -14.135 -1.001 -1.001 49 HG LEU 8 HG LEU 8 -11.608 -0.334 -0.334 50 1HD1 LEU 8 2HD1 LEU 8 -13.218 1.109 1.109 51 2HD1 LEU 8 3HD1 LEU 8 -13.940 1.688 1.688 52 3HD1 LEU 8 1HD1 LEU 8 -12.250 2.081 2.081 53 1HD2 LEU 8 2HD2 LEU 8 -13.105 0.573 0.573 54 2HD2 LEU 8 3HD2 LEU 8 -11.739 -0.567 -0.567 55 3HD2 LEU 8 1HD2 LEU 8 -11.482 1.135 1.135 56 H ASP 9 H ASP 9 -17.067 -1.193 -1.193 57 HA ASP 9 HA ASP 9 -16.927 1.801 1.801 58 1HB ASP 9 1HB ASP 9 -18.908 1.070 1.070 59 2HB ASP 9 2HB ASP 9 -19.281 -0.196 -0.196 60 H LYS 10 H LYS 10 -17.705 -1.210 -1.210 61 HA LYS 10 HA LYS 10 -18.185 -0.054 -0.054 62 1HB LYS 10 1HB LYS 10 -18.395 -2.570 -2.570 63 2HB LYS 10 2HB LYS 10 -16.718 -2.732 -2.732 64 1HG LYS 10 1HG LYS 10 -17.402 -2.031 -2.031 65 2HG LYS 10 2HG LYS 10 -19.076 -1.918 -1.918 66 1HD LYS 10 1HD LYS 10 -17.366 -4.290 -4.290 67 2HD LYS 10 2HD LYS 10 -19.118 -4.072 -4.072 68 1HE LYS 10 1HE LYS 10 -19.428 -4.355 -4.355 69 2HE LYS 10 2HE LYS 10 -17.686 -4.597 -4.597 70 1HZ LYS 10 3HZ LYS 10 -18.905 -6.261 -6.261 71 2HZ LYS 10 1HZ LYS 10 -19.421 -6.566 -6.566 72 3HZ LYS 10 2HZ LYS 10 -17.785 -6.649 -6.649 73 H LEU 11 H LEU 11 -15.232 -1.053 -1.053 74 HA LEU 11 HA LEU 11 -13.607 -0.604 -0.604 75 1HB LEU 11 1HB LEU 11 -12.915 -1.203 -1.203 76 2HB LEU 11 2HB LEU 11 -11.652 -0.877 -0.877 77 HG LEU 11 HG LEU 11 -11.973 -3.317 -3.317 78 1HD1 LEU 11 2HD1 LEU 11 -11.096 -2.512 -2.512 79 2HD1 LEU 11 3HD1 LEU 11 -12.751 -2.441 -2.441 80 3HD1 LEU 11 1HD1 LEU 11 -12.037 -4.004 -4.004 81 1HD2 LEU 11 2HD2 LEU 11 -14.814 -2.910 -2.910 82 2HD2 LEU 11 3HD2 LEU 11 -14.405 -3.444 -3.444 83 3HD2 LEU 11 1HD2 LEU 11 -14.034 -4.493 -4.493 84 H LYS 12 H LYS 12 -14.929 1.599 1.599 85 HA LYS 12 HA LYS 12 -12.841 3.583 3.583 86 1HB LYS 12 1HB LYS 12 -15.401 3.730 3.730 87 2HB LYS 12 2HB LYS 12 -15.701 4.324 4.324 88 1HG LYS 12 1HG LYS 12 -15.250 6.422 6.422 89 2HG LYS 12 2HG LYS 12 -13.552 5.966 5.966 90 1HD LYS 12 1HD LYS 12 -14.965 5.052 5.052 91 2HD LYS 12 2HD LYS 12 -14.912 6.812 6.812 92 1HE LYS 12 1HE LYS 12 -12.665 6.889 6.889 93 2HE LYS 12 2HE LYS 12 -12.274 5.729 5.729 94 1HZ LYS 12 2HZ LYS 12 -13.576 4.614 4.614 95 2HZ LYS 12 3HZ LYS 12 -12.007 5.182 5.182 96 3HZ LYS 12 1HZ LYS 12 -12.325 4.000 4.000 97 H GLU 13 H GLU 13 -12.529 5.501 5.501 98 HA GLU 13 HA GLU 13 -11.643 6.139 6.139 99 1HB GLU 13 1HB GLU 13 -14.132 5.348 5.348 100 2HB GLU 13 2HB GLU 13 -13.326 3.977 3.977 101 1HG GLU 13 1HG GLU 13 -13.473 5.393 5.393 102 2HG GLU 13 2HG GLU 13 -11.877 5.835 5.835 103 H PHE 14 H PHE 14 -12.262 2.740 2.740 104 HA PHE 14 HA PHE 14 -9.787 2.022 2.022 105 1HB PHE 14 1HB PHE 14 -11.470 0.304 0.304 106 2HB PHE 14 2HB PHE 14 -11.711 0.451 0.451 107 HD1 PHE 14 HD1 PHE 14 -9.972 -0.504 -0.504 108 HD2 PHE 14 HD2 PHE 14 -9.815 -1.248 -1.248 109 HE1 PHE 14 HE1 PHE 14 -8.461 -2.404 -2.404 110 HE2 PHE 14 HE2 PHE 14 -8.319 -3.165 -3.165 111 HZ PHE 14 HZ PHE 14 -7.628 -3.740 -3.740 112 H GLY 15 H GLY 15 -10.127 2.976 2.976 113 1HA GLY 15 1HA GLY 15 -7.552 1.494 1.494 114 2HA GLY 15 2HA GLY 15 -8.636 2.316 2.316 115 H ASN 16 H ASN 16 -8.970 4.694 4.694 116 HA ASN 16 HA ASN 16 -6.692 6.263 6.263 117 1HB ASN 16 1HB ASN 16 -8.639 7.556 7.556 118 2HB ASN 16 2HB ASN 16 -9.008 6.696 6.696 119 1HD2 ASN 16 1HD2 ASN 16 -7.799 9.551 9.551 120 2HD2 ASN 16 2HD2 ASN 16 -9.205 8.397 8.397 121 H THR 17 H THR 17 -7.426 4.912 4.912 122 HA THR 17 HA THR 17 -4.993 5.734 5.734 123 HB THR 17 HB THR 17 -6.644 3.140 3.140 124 HG1 THR 17 HG1 THR 17 -7.332 4.177 4.177 125 1HG2 THR 17 3HG2 THR 17 -4.456 4.102 4.102 126 2HG2 THR 17 1HG2 THR 17 -5.607 2.774 2.774 127 3HG2 THR 17 2HG2 THR 17 -4.382 2.607 2.607 128 H LEU 18 H LEU 18 -5.597 3.057 3.057 129 HA LEU 18 HA LEU 18 -3.040 1.746 1.746 130 1HB LEU 18 1HB LEU 18 -5.079 1.091 1.091 131 2HB LEU 18 2HB LEU 18 -4.493 2.255 2.255 132 HG LEU 18 HG LEU 18 -2.535 0.971 0.971 133 1HD1 LEU 18 3HD2 LEU 18 -1.958 0.307 0.307 134 2HD1 LEU 18 1HD2 LEU 18 -3.158 -0.985 -0.985 135 3HD1 LEU 18 2HD2 LEU 18 -1.732 -1.011 -1.011 136 1HD2 LEU 18 2HD1 LEU 18 -4.736 0.091 0.091 137 2HD2 LEU 18 3HD1 LEU 18 -3.519 -1.197 -1.197 138 3HD2 LEU 18 1HD1 LEU 18 -4.838 -1.047 -1.047 139 H GLU 19 H GLU 19 -3.910 4.562 4.562 140 HA GLU 19 HA GLU 19 -1.294 4.657 4.657 141 1HB GLU 19 1HB GLU 19 -3.453 5.682 5.682 142 2HB GLU 19 2HB GLU 19 -3.438 6.842 6.842 143 1HG GLU 19 1HG GLU 19 -2.616 8.125 8.125 144 2HG GLU 19 2HG GLU 19 -1.135 7.713 7.713 145 H ASP 20 H ASP 20 -2.633 6.397 6.397 146 HA ASP 20 HA ASP 20 -0.389 8.254 8.254 147 1HB ASP 20 1HB ASP 20 -2.720 8.552 8.552 148 2HB ASP 20 2HB ASP 20 -2.223 7.384 7.384 149 H LYS 21 H LYS 21 -1.033 5.264 5.264 150 HA LYS 21 HA LYS 21 1.615 5.524 5.524 151 1HB LYS 21 1HB LYS 21 0.830 3.835 3.835 152 2HB LYS 21 2HB LYS 21 -0.719 4.418 4.418 153 1HG LYS 21 1HG LYS 21 0.015 2.440 2.440 154 2HG LYS 21 2HG LYS 21 0.620 1.769 1.769 155 1HD LYS 21 1HD LYS 21 -1.920 2.526 2.526 156 2HD LYS 21 2HD LYS 21 -2.209 2.317 2.317 157 1HE LYS 21 1HE LYS 21 -1.263 -0.002 -0.002 158 2HE LYS 21 2HE LYS 21 -0.786 0.168 0.168 159 1HZ LYS 21 1HZ LYS 21 -3.547 0.833 0.833 160 2HZ LYS 21 2HZ LYS 21 -3.192 -0.733 -0.733 161 3HZ LYS 21 3HZ LYS 21 -2.842 -0.251 -0.251 162 H ALA 22 H ALA 22 0.465 4.223 4.223 163 HA ALA 22 HA ALA 22 2.795 2.377 2.377 164 1HB ALA 22 2HB ALA 22 0.612 2.041 2.041 165 2HB ALA 22 3HB ALA 22 0.812 3.602 3.602 166 3HB ALA 22 1HB ALA 22 1.933 2.260 2.260 167 H ARG 23 H ARG 23 2.214 5.755 5.755 168 HA ARG 23 HA ARG 23 4.423 6.200 6.200 169 1HB ARG 23 1HB ARG 23 2.492 7.838 7.838 170 2HB ARG 23 2HB ARG 23 4.055 8.620 8.620 171 1HG ARG 23 1HG ARG 23 3.317 9.403 9.403 172 2HG ARG 23 2HG ARG 23 3.530 7.764 7.764 173 1HD ARG 23 1HD ARG 23 1.215 7.255 7.255 174 2HD ARG 23 2HD ARG 23 0.944 8.416 8.416 175 HE ARG 23 HE ARG 23 1.737 9.495 9.495 176 1HH1 ARG 23 2HH2 ARG 23 -0.753 9.148 9.148 177 2HH1 ARG 23 1HH2 ARG 23 -1.800 10.447 10.447 178 1HH2 ARG 23 1HH1 ARG 23 0.551 10.886 10.886 179 2HH2 ARG 23 2HH1 ARG 23 -1.100 11.391 11.391 180 H GLU 24 H GLU 24 4.135 6.205 6.205 181 HA GLU 24 HA GLU 24 6.917 7.282 7.282 182 1HB GLU 24 1HB GLU 24 5.152 5.892 5.892 183 2HB GLU 24 2HB GLU 24 6.469 6.999 6.999 184 1HG GLU 24 1HG GLU 24 5.159 8.942 8.942 185 2HG GLU 24 2HG GLU 24 4.056 8.067 8.067 186 H LEU 25 H LEU 25 5.262 4.186 4.186 187 HA LEU 25 HA LEU 25 7.694 2.652 2.652 188 1HB LEU 25 1HB LEU 25 5.737 1.420 1.420 189 2HB LEU 25 2HB LEU 25 4.899 2.049 2.049 190 HG LEU 25 HG LEU 25 7.107 0.284 0.284 191 1HD1 LEU 25 2HD1 LEU 25 6.773 -0.766 -0.766 192 2HD1 LEU 25 3HD1 LEU 25 5.033 -0.958 -0.958 193 3HD1 LEU 25 1HD1 LEU 25 6.229 -1.850 -1.850 194 1HD2 LEU 25 2HD2 LEU 25 4.028 0.104 0.104 195 2HD2 LEU 25 3HD2 LEU 25 5.183 0.801 0.801 196 3HD2 LEU 25 1HD2 LEU 25 5.209 -0.936 -0.936 197 H ILE 26 H ILE 26 6.456 3.975 3.975 198 HA ILE 26 HA ILE 26 8.066 2.274 2.274 199 HB ILE 26 HB ILE 26 6.572 4.901 4.901 200 1HG1 ILE 26 1HG1 ILE 26 6.508 2.658 2.658 201 2HG1 ILE 26 2HG1 ILE 26 5.706 2.415 2.415 202 1HG2 ILE 26 2HG2 ILE 26 8.723 5.498 5.498 203 2HG2 ILE 26 3HG2 ILE 26 8.594 4.017 4.017 204 3HG2 ILE 26 1HG2 ILE 26 7.411 5.333 5.333 205 1HD1 ILE 26 2HD1 ILE 26 4.275 4.466 4.466 206 2HD1 ILE 26 3HD1 ILE 26 4.985 4.691 4.691 207 3HD1 ILE 26 1HD1 ILE 26 4.044 3.233 3.233 208 H SER 27 H SER 27 8.784 5.115 5.115 209 HA SER 27 HA SER 27 11.470 5.492 5.492 210 1HB SER 27 1HB SER 27 10.967 7.355 7.355 211 2HB SER 27 2HB SER 27 10.060 6.455 6.455 212 HG SER 27 HG SER 27 12.680 7.195 7.195 213 H ARG 28 H ARG 28 10.156 3.484 3.484 214 HA ARG 28 HA ARG 28 12.686 2.176 2.176 215 1HB ARG 28 1HB ARG 28 10.095 2.047 2.047 216 2HB ARG 28 2HB ARG 28 10.062 0.601 0.601 217 1HG ARG 28 1HG ARG 28 12.237 -0.163 -0.163 218 2HG ARG 28 2HG ARG 28 11.929 1.198 1.198 219 1HD ARG 28 1HD ARG 28 9.393 -0.036 -0.036 220 2HD ARG 28 2HD ARG 28 10.498 -1.429 -1.429 221 HE ARG 28 HE ARG 28 11.303 0.549 0.549 222 1HH1 ARG 28 2HH2 ARG 28 9.421 -2.311 -2.311 223 2HH1 ARG 28 1HH2 ARG 28 9.441 -2.779 -2.779 224 1HH2 ARG 28 1HH1 ARG 28 11.279 -0.020 -0.020 225 2HH2 ARG 28 2HH1 ARG 28 10.449 -1.538 -1.538 226 H ILE 29 H ILE 29 10.555 1.881 1.881 227 HA ILE 29 HA ILE 29 11.413 -0.891 -0.891 228 HB ILE 29 HB ILE 29 9.602 1.193 1.193 229 1HG1 ILE 29 1HG1 ILE 29 8.680 -1.492 -1.492 230 2HG1 ILE 29 2HG1 ILE 29 9.309 -1.538 -1.538 231 1HG2 ILE 29 2HG2 ILE 29 11.050 0.758 0.758 232 2HG2 ILE 29 3HG2 ILE 29 10.798 -0.995 -0.995 233 3HG2 ILE 29 1HG2 ILE 29 9.456 0.092 0.092 234 1HD1 ILE 29 2HD1 ILE 29 7.839 0.384 0.384 235 2HD1 ILE 29 3HD1 ILE 29 7.090 0.395 0.395 236 3HD1 ILE 29 1HD1 ILE 29 6.927 -1.030 -1.030 237 H LYS 30 H LYS 30 12.196 2.339 2.339 238 HA LYS 30 HA LYS 30 14.015 1.500 1.500 239 1HB LYS 30 1HB LYS 30 13.747 4.025 4.025 240 2HB LYS 30 2HB LYS 30 15.161 3.869 3.869 241 1HG LYS 30 1HG LYS 30 13.615 5.029 5.029 242 2HG LYS 30 2HG LYS 30 13.440 3.364 3.364 243 1HD LYS 30 1HD LYS 30 11.418 3.282 3.282 244 2HD LYS 30 2HD LYS 30 11.577 5.049 5.049 245 1HE LYS 30 1HE LYS 30 10.425 5.214 5.214 246 2HE LYS 30 2HE LYS 30 11.728 4.344 4.344 247 1HZ LYS 30 1HZ LYS 30 9.835 2.765 2.765 248 2HZ LYS 30 2HZ LYS 30 9.321 3.373 3.373 249 3HZ LYS 30 3HZ LYS 30 10.661 2.360 2.360 250 H GLN 31 H GLN 31 14.556 2.107 2.107 251 HA GLN 31 HA GLN 31 17.471 1.372 1.372 252 1HB GLN 31 1HB GLN 31 16.088 3.227 3.227 253 2HB GLN 31 2HB GLN 31 16.361 1.921 1.921 254 1HG GLN 31 1HG GLN 31 18.926 2.069 2.069 255 2HG GLN 31 2HG GLN 31 18.504 3.572 3.572 256 1HE2 GLN 31 2HE2 GLN 31 17.934 4.912 4.912 257 2HE2 GLN 31 1HE2 GLN 31 16.751 4.508 4.508 258 H SER 32 H SER 32 15.874 -0.709 -0.709 259 HA SER 32 HA SER 32 16.997 -2.655 -2.655 260 1HB SER 32 1HB SER 32 14.492 -1.737 -1.737 261 2HB SER 32 2HB SER 32 13.996 -3.062 -3.062 262 HG SER 32 HG SER 32 15.984 -3.409 -3.409 263 H GLU 33 H GLU 33 17.513 -2.123 -2.123 264 HA GLU 33 HA GLU 33 16.246 -4.560 -4.560 265 1HB GLU 33 1HB GLU 33 16.344 -1.684 -1.684 266 2HB GLU 33 2HB GLU 33 17.122 -2.632 -2.632 267 1HG GLU 33 1HG GLU 33 14.863 -4.115 -4.115 268 2HG GLU 33 2HG GLU 33 14.172 -2.757 -2.757 269 H LEU 34 H LEU 34 18.729 -4.285 -4.285 270 HA LEU 34 HA LEU 34 20.981 -3.928 -3.928 271 1HB LEU 34 1HB LEU 34 22.379 -5.005 -5.005 272 2HB LEU 34 2HB LEU 34 21.383 -3.697 -3.697 273 HG LEU 34 HG LEU 34 20.318 -6.537 -6.537 274 1HD1 LEU 34 2HD1 LEU 34 22.724 -6.707 -6.707 275 2HD1 LEU 34 3HD1 LEU 34 22.513 -5.341 -5.341 276 3HD1 LEU 34 1HD1 LEU 34 21.641 -6.869 -6.869 277 1HD2 LEU 34 2HD2 LEU 34 20.163 -4.031 -4.031 278 2HD2 LEU 34 3HD2 LEU 34 18.857 -4.702 -4.702 279 3HD2 LEU 34 1HD2 LEU 34 19.443 -5.619 -5.619 280 H SER 35 H SER 35 19.171 -6.731 -6.731 281 HA SER 35 HA SER 35 19.373 -9.007 -9.007 282 1HB SER 35 1HB SER 35 19.297 -7.330 -7.330 283 2HB SER 35 2HB SER 35 19.930 -8.943 -8.943 284 HG SER 35 HG SER 35 17.961 -9.642 -9.642 285 H ALA 36 H ALA 36 21.728 -7.775 -7.775 286 HA ALA 36 HA ALA 36 24.039 -8.330 -8.330 287 1HB ALA 36 2HB ALA 36 23.101 -10.674 -10.674 288 2HB ALA 36 3HB ALA 36 23.159 -10.840 -10.840 289 3HB ALA 36 1HB ALA 36 24.666 -10.700 -10.700 290 H LYS 37 H LYS 37 23.810 -6.412 -6.412 291 HA LYS 37 HA LYS 37 25.300 -5.268 -5.268 292 1HB LYS 37 1HB LYS 37 27.418 -6.168 -6.168 293 2HB LYS 37 2HB LYS 37 26.773 -7.584 -7.584 294 1HG LYS 37 1HG LYS 37 26.090 -8.307 -8.307 295 2HG LYS 37 2HG LYS 37 27.374 -7.173 -7.173 296 1HD LYS 37 1HD LYS 37 27.542 -9.737 -9.737 297 2HD LYS 37 2HD LYS 37 28.259 -9.458 -9.458 298 1HE LYS 37 1HE LYS 37 30.025 -8.133 -8.133 299 2HE LYS 37 2HE LYS 37 29.054 -7.432 -7.432 300 1HZ LYS 37 3HZ LYS 37 29.108 -10.068 -10.068 301 2HZ LYS 37 1HZ LYS 37 30.644 -9.824 -9.824 302 3HZ LYS 37 2HZ LYS 37 30.106 -8.877 -8.877 303 H MET 38 H MET 38 22.996 -7.353 -7.353 304 HA MET 38 HA MET 38 23.657 -7.782 -7.782 305 1HB MET 38 1HB MET 38 21.726 -8.798 -8.798 306 2HB MET 38 2HB MET 38 20.752 -7.811 -7.811 307 1HG MET 38 1HG MET 38 22.634 -9.608 -9.608 308 2HG MET 38 2HG MET 38 21.474 -10.463 -10.463 309 1HE MET 38 2HE MET 38 21.210 -11.378 -11.378 310 2HE MET 38 1HE MET 38 19.437 -11.399 -11.399 311 3HE MET 38 3HE MET 38 20.122 -10.744 -10.744 Start of MODEL 6 1 1H THR 1 2H THR 1 -28.670 -5.612 -5.612 2 2H THR 1 3H THR 1 -27.537 -4.376 -4.376 3 3H THR 1 1H THR 1 -27.619 -5.568 -5.568 4 HA THR 1 HA THR 1 -26.812 -7.223 -7.223 5 HB THR 1 HB THR 1 -25.310 -4.953 -4.953 6 HG1 THR 1 HG1 THR 1 -23.568 -6.330 -6.330 7 1HG2 THR 1 3HG2 THR 1 -24.580 -5.589 -5.589 8 2HG2 THR 1 1HG2 THR 1 -23.600 -4.614 -4.614 9 3HG2 THR 1 2HG2 THR 1 -25.172 -4.019 -4.019 10 HA PRO 2 HA PRO 2 -27.491 -7.488 -7.488 11 1HB PRO 2 1HB PRO 2 -24.508 -7.913 -7.913 12 2HB PRO 2 2HB PRO 2 -25.949 -8.956 -8.956 13 1HG PRO 2 1HG PRO 2 -24.484 -9.638 -9.638 14 2HG PRO 2 2HG PRO 2 -26.347 -9.843 -9.843 15 1HD PRO 2 1HD PRO 2 -24.502 -7.695 -7.695 16 2HD PRO 2 2HD PRO 2 -25.936 -8.569 -8.569 17 H ASP 3 H ASP 3 -25.434 -7.116 -7.116 18 HA ASP 3 HA ASP 3 -25.442 -4.110 -4.110 19 1HB ASP 3 1HB ASP 3 -25.923 -5.573 -5.573 20 2HB ASP 3 2HB ASP 3 -24.247 -6.073 -6.073 21 H VAL 4 H VAL 4 -24.153 -4.672 -4.672 22 HA VAL 4 HA VAL 4 -21.183 -4.534 -4.534 23 HB VAL 4 HB VAL 4 -22.670 -6.167 -6.167 24 1HG1 VAL 4 1HG2 VAL 4 -19.722 -5.394 -5.394 25 2HG1 VAL 4 2HG2 VAL 4 -20.624 -6.669 -6.669 26 3HG1 VAL 4 3HG2 VAL 4 -21.112 -4.994 -4.994 27 1HG2 VAL 4 2HG1 VAL 4 -21.764 -7.315 -7.315 28 2HG2 VAL 4 3HG1 VAL 4 -21.052 -7.971 -7.971 29 3HG2 VAL 4 1HG1 VAL 4 -20.107 -6.854 -6.854 30 H SER 5 H SER 5 -23.162 -2.447 -2.447 31 HA SER 5 HA SER 5 -22.085 -1.090 -1.090 32 1HB SER 5 1HB SER 5 -24.238 -0.482 -0.482 33 2HB SER 5 2HB SER 5 -24.795 -1.242 -1.242 34 HG SER 5 HG SER 5 -25.172 1.081 1.081 35 H SER 6 H SER 6 -23.093 -0.316 -0.316 36 HA SER 6 HA SER 6 -20.640 1.519 1.519 37 1HB SER 6 1HB SER 6 -23.109 2.441 2.441 38 2HB SER 6 2HB SER 6 -22.955 1.703 1.703 39 HG SER 6 HG SER 6 -22.027 4.029 4.029 40 H ALA 7 H ALA 7 -20.245 -1.122 -1.122 41 HA ALA 7 HA ALA 7 -20.241 -1.863 -1.863 42 1HB ALA 7 2HB ALA 7 -20.914 -3.573 -3.573 43 2HB ALA 7 3HB ALA 7 -19.328 -3.423 -3.423 44 3HB ALA 7 1HB ALA 7 -19.450 -4.118 -4.118 45 H LEU 8 H LEU 8 -18.105 -0.702 -0.702 46 HA LEU 8 HA LEU 8 -15.643 -1.175 -1.175 47 1HB LEU 8 1HB LEU 8 -15.434 -0.868 -0.868 48 2HB LEU 8 2HB LEU 8 -16.253 0.680 0.680 49 HG LEU 8 HG LEU 8 -13.629 0.548 0.548 50 1HD1 LEU 8 2HD1 LEU 8 -14.966 2.667 2.667 51 2HD1 LEU 8 3HD1 LEU 8 -14.925 2.562 2.562 52 3HD1 LEU 8 1HD1 LEU 8 -13.421 2.814 2.814 53 1HD2 LEU 8 2HD2 LEU 8 -13.841 0.372 0.372 54 2HD2 LEU 8 3HD2 LEU 8 -13.050 -0.798 -0.798 55 3HD2 LEU 8 1HD2 LEU 8 -12.365 0.820 0.820 56 H ASP 9 H ASP 9 -18.047 1.316 1.316 57 HA ASP 9 HA ASP 9 -16.865 3.335 3.335 58 1HB ASP 9 1HB ASP 9 -19.200 3.452 3.452 59 2HB ASP 9 2HB ASP 9 -19.814 2.388 2.388 60 H LYS 10 H LYS 10 -18.457 0.370 0.370 61 HA LYS 10 HA LYS 10 -18.561 0.921 0.921 62 1HB LYS 10 1HB LYS 10 -18.196 -1.719 -1.719 63 2HB LYS 10 2HB LYS 10 -18.330 -1.711 -1.711 64 1HG LYS 10 1HG LYS 10 -20.479 -0.255 -0.255 65 2HG LYS 10 2HG LYS 10 -20.507 -2.015 -2.015 66 1HD LYS 10 1HD LYS 10 -20.319 -0.391 -0.391 67 2HD LYS 10 2HD LYS 10 -21.862 -0.421 -0.421 68 1HE LYS 10 1HE LYS 10 -22.267 -2.678 -2.678 69 2HE LYS 10 2HE LYS 10 -20.577 -3.150 -3.150 70 1HZ LYS 10 1HZ LYS 10 -20.249 -1.751 -1.751 71 2HZ LYS 10 2HZ LYS 10 -21.878 -2.099 -2.099 72 3HZ LYS 10 3HZ LYS 10 -20.766 -3.350 -3.350 73 H LEU 11 H LEU 11 -15.950 -0.329 -0.329 74 HA LEU 11 HA LEU 11 -14.084 -0.297 -0.297 75 1HB LEU 11 1HB LEU 11 -13.802 -0.875 -0.875 76 2HB LEU 11 2HB LEU 11 -12.356 -0.460 -0.460 77 HG LEU 11 HG LEU 11 -12.126 -2.565 -2.565 78 1HD1 LEU 11 2HD1 LEU 11 -13.697 -2.022 -2.022 79 2HD1 LEU 11 3HD1 LEU 11 -15.090 -2.531 -2.531 80 3HD1 LEU 11 1HD1 LEU 11 -13.859 -3.718 -3.718 81 1HD2 LEU 11 2HD2 LEU 11 -14.660 -3.194 -3.194 82 2HD2 LEU 11 3HD2 LEU 11 -12.969 -3.265 -3.265 83 3HD2 LEU 11 1HD2 LEU 11 -13.539 -4.419 -4.419 84 H LYS 12 H LYS 12 -13.304 1.197 1.197 85 HA LYS 12 HA LYS 12 -12.101 3.223 3.223 86 1HB LYS 12 1HB LYS 12 -14.446 4.099 4.099 87 2HB LYS 12 2HB LYS 12 -13.984 4.251 4.251 88 1HG LYS 12 1HG LYS 12 -13.175 6.365 6.365 89 2HG LYS 12 2HG LYS 12 -11.917 5.647 5.647 90 1HD LYS 12 1HD LYS 12 -13.262 7.446 7.446 91 2HD LYS 12 2HD LYS 12 -13.353 5.900 5.900 92 1HE LYS 12 1HE LYS 12 -15.493 5.563 5.563 93 2HE LYS 12 2HE LYS 12 -15.541 7.324 7.324 94 1HZ LYS 12 3HZ LYS 12 -15.079 6.356 6.356 95 2HZ LYS 12 1HZ LYS 12 -16.244 5.333 5.333 96 3HZ LYS 12 2HZ LYS 12 -16.513 6.992 6.992 97 H GLU 13 H GLU 13 -12.618 4.147 4.147 98 HA GLU 13 HA GLU 13 -10.012 4.665 4.665 99 1HB GLU 13 1HB GLU 13 -12.513 3.990 3.990 100 2HB GLU 13 2HB GLU 13 -11.349 2.939 2.939 101 1HG GLU 13 1HG GLU 13 -11.105 6.032 6.032 102 2HG GLU 13 2HG GLU 13 -11.754 5.153 5.153 103 H PHE 14 H PHE 14 -11.297 1.481 1.481 104 HA PHE 14 HA PHE 14 -8.896 0.341 0.341 105 1HB PHE 14 1HB PHE 14 -10.819 -1.035 -1.035 106 2HB PHE 14 2HB PHE 14 -11.380 -0.838 -0.838 107 HD1 PHE 14 HD1 PHE 14 -8.997 -2.690 -2.690 108 HD2 PHE 14 HD2 PHE 14 -10.624 -2.377 -2.377 109 HE1 PHE 14 HE1 PHE 14 -8.174 -4.951 -4.951 110 HE2 PHE 14 HE2 PHE 14 -9.767 -4.629 -4.629 111 HZ PHE 14 HZ PHE 14 -8.557 -5.928 -5.928 112 H GLY 15 H GLY 15 -9.479 1.035 1.035 113 1HA GLY 15 1HA GLY 15 -7.369 -0.990 -0.990 114 2HA GLY 15 2HA GLY 15 -8.330 0.042 0.042 115 H ASN 16 H ASN 16 -7.991 2.488 2.488 116 HA ASN 16 HA ASN 16 -5.410 3.440 3.440 117 1HB ASN 16 1HB ASN 16 -7.159 5.071 5.071 118 2HB ASN 16 2HB ASN 16 -7.448 4.461 4.461 119 1HD2 ASN 16 1HD2 ASN 16 -5.281 6.889 6.889 120 2HD2 ASN 16 2HD2 ASN 16 -6.576 5.604 5.604 121 H THR 17 H THR 17 -6.316 1.867 1.867 122 HA THR 17 HA THR 17 -4.108 2.403 2.403 123 HB THR 17 HB THR 17 -5.434 -0.319 -0.319 124 HG1 THR 17 HG1 THR 17 -6.517 0.144 0.144 125 1HG2 THR 17 3HG2 THR 17 -3.704 0.351 0.351 126 2HG2 THR 17 1HG2 THR 17 -4.681 -1.122 -1.122 127 3HG2 THR 17 2HG2 THR 17 -3.283 -0.843 -0.843 128 H LEU 18 H LEU 18 -4.129 0.087 0.087 129 HA LEU 18 HA LEU 18 -1.410 -0.818 -0.818 130 1HB LEU 18 1HB LEU 18 -2.612 -0.232 -0.232 131 2HB LEU 18 2HB LEU 18 -1.490 -1.506 -1.506 132 HG LEU 18 HG LEU 18 -4.472 -1.449 -1.449 133 1HD1 LEU 18 2HD1 LEU 18 -3.144 -2.913 -2.913 134 2HD1 LEU 18 3HD1 LEU 18 -2.401 -3.747 -3.747 135 3HD1 LEU 18 1HD1 LEU 18 -4.150 -3.890 -3.890 136 1HD2 LEU 18 2HD2 LEU 18 -2.928 -2.829 -2.829 137 2HD2 LEU 18 3HD2 LEU 18 -4.140 -1.533 -1.533 138 3HD2 LEU 18 1HD2 LEU 18 -4.638 -3.132 -3.132 139 H GLU 19 H GLU 19 -2.603 2.052 2.052 140 HA GLU 19 HA GLU 19 0.253 2.714 2.714 141 1HB GLU 19 1HB GLU 19 -1.935 2.846 2.846 142 2HB GLU 19 2HB GLU 19 -2.325 4.301 4.301 143 1HG GLU 19 1HG GLU 19 0.431 4.556 4.556 144 2HG GLU 19 2HG GLU 19 -0.598 4.019 4.019 145 H ASP 20 H ASP 20 -0.685 2.866 2.866 146 HA ASP 20 HA ASP 20 0.511 5.648 5.648 147 1HB ASP 20 1HB ASP 20 -2.147 5.112 5.112 148 2HB ASP 20 2HB ASP 20 -1.318 4.708 4.708 149 H LYS 21 H LYS 21 -0.153 2.583 2.583 150 HA LYS 21 HA LYS 21 2.225 2.915 2.915 151 1HB LYS 21 1HB LYS 21 1.717 0.567 0.567 152 2HB LYS 21 2HB LYS 21 0.261 1.552 1.552 153 1HG LYS 21 1HG LYS 21 -0.437 -0.514 -0.514 154 2HG LYS 21 2HG LYS 21 -0.268 0.602 0.602 155 1HD LYS 21 1HD LYS 21 1.160 -0.894 -0.894 156 2HD LYS 21 2HD LYS 21 2.300 -0.705 -0.705 157 1HE LYS 21 1HE LYS 21 -0.165 -2.403 -2.403 158 2HE LYS 21 2HE LYS 21 1.013 -3.117 -3.117 159 1HZ LYS 21 2HZ LYS 21 1.678 -1.987 -1.987 160 2HZ LYS 21 3HZ LYS 21 1.524 -3.621 -3.621 161 3HZ LYS 21 1HZ LYS 21 2.760 -2.715 -2.715 162 H ALA 22 H ALA 22 1.617 1.690 1.690 163 HA ALA 22 HA ALA 22 4.317 0.392 0.392 164 1HB ALA 22 2HB ALA 22 2.374 -0.362 -0.362 165 2HB ALA 22 3HB ALA 22 2.291 1.239 1.239 166 3HB ALA 22 1HB ALA 22 3.707 0.192 0.192 167 H ARG 23 H ARG 23 2.923 3.528 3.528 168 HA ARG 23 HA ARG 23 5.213 4.742 4.742 169 1HB ARG 23 1HB ARG 23 2.739 5.602 5.602 170 2HB ARG 23 2HB ARG 23 4.025 6.572 6.572 171 1HG ARG 23 1HG ARG 23 3.452 7.915 7.915 172 2HG ARG 23 2HG ARG 23 4.729 6.945 6.945 173 1HD ARG 23 1HD ARG 23 2.899 5.300 5.300 174 2HD ARG 23 2HD ARG 23 1.683 6.457 6.457 175 HE ARG 23 HE ARG 23 3.013 8.201 8.201 176 1HH1 ARG 23 2HH2 ARG 23 2.525 4.874 4.874 177 2HH1 ARG 23 1HH2 ARG 23 2.639 5.252 5.252 178 1HH2 ARG 23 1HH1 ARG 23 3.124 8.528 8.528 179 2HH2 ARG 23 2HH1 ARG 23 2.961 7.235 7.235 180 H GLU 24 H GLU 24 4.519 4.219 4.219 181 HA GLU 24 HA GLU 24 6.976 5.748 5.748 182 1HB GLU 24 1HB GLU 24 5.244 3.910 3.910 183 2HB GLU 24 2HB GLU 24 6.271 5.218 5.218 184 1HG GLU 24 1HG GLU 24 4.697 6.920 6.920 185 2HG GLU 24 2HG GLU 24 3.930 5.928 5.928 186 H LEU 25 H LEU 25 5.932 2.389 2.389 187 HA LEU 25 HA LEU 25 8.493 1.294 1.294 188 1HB LEU 25 1HB LEU 25 6.849 -0.370 -0.370 189 2HB LEU 25 2HB LEU 25 6.029 0.243 0.243 190 HG LEU 25 HG LEU 25 8.714 -1.171 -1.171 191 1HD1 LEU 25 2HD1 LEU 25 7.363 -2.651 -2.651 192 2HD1 LEU 25 3HD1 LEU 25 5.996 -2.609 -2.609 193 3HD1 LEU 25 1HD1 LEU 25 7.533 -3.376 -3.376 194 1HD2 LEU 25 2HD2 LEU 25 6.175 -0.998 -0.998 195 2HD2 LEU 25 3HD2 LEU 25 7.731 -0.177 -0.177 196 3HD2 LEU 25 1HD2 LEU 25 7.641 -1.937 -1.937 197 H ILE 26 H ILE 26 7.483 2.587 2.587 198 HA ILE 26 HA ILE 26 9.707 1.450 1.450 199 HB ILE 26 HB ILE 26 7.699 3.659 3.659 200 1HG1 ILE 26 1HG1 ILE 26 8.745 1.975 1.975 201 2HG1 ILE 26 2HG1 ILE 26 7.814 1.172 1.172 202 1HG2 ILE 26 2HG2 ILE 26 9.783 5.017 5.017 203 2HG2 ILE 26 3HG2 ILE 26 10.321 3.773 3.773 204 3HG2 ILE 26 1HG2 ILE 26 8.863 4.742 4.742 205 1HD1 ILE 26 2HD1 ILE 26 5.864 2.737 2.737 206 2HD1 ILE 26 3HD1 ILE 26 6.730 3.514 3.514 207 3HD1 ILE 26 1HD1 ILE 26 6.277 1.805 1.805 208 H SER 27 H SER 27 9.425 4.188 4.188 209 HA SER 27 HA SER 27 12.144 5.194 5.194 210 1HB SER 27 1HB SER 27 11.508 6.830 6.830 211 2HB SER 27 2HB SER 27 9.977 6.005 6.005 212 HG SER 27 HG SER 27 10.691 5.912 5.912 213 H ARG 28 H ARG 28 10.827 2.919 2.919 214 HA ARG 28 HA ARG 28 13.403 2.209 2.209 215 1HB ARG 28 1HB ARG 28 11.320 1.497 1.497 216 2HB ARG 28 2HB ARG 28 10.723 0.725 0.725 217 1HG ARG 28 1HG ARG 28 13.117 -0.741 -0.741 218 2HG ARG 28 2HG ARG 28 12.587 -0.331 -0.331 219 1HD ARG 28 1HD ARG 28 10.182 -1.196 -1.196 220 2HD ARG 28 2HD ARG 28 11.170 -2.011 -2.011 221 HE ARG 28 HE ARG 28 11.117 -2.591 -2.591 222 1HH1 ARG 28 2HH2 ARG 28 12.932 -3.033 -3.033 223 2HH1 ARG 28 1HH2 ARG 28 13.822 -4.500 -4.500 224 1HH2 ARG 28 1HH1 ARG 28 12.119 -4.183 -4.183 225 2HH2 ARG 28 2HH1 ARG 28 13.384 -5.131 -5.131 226 H ILE 29 H ILE 29 12.009 1.479 1.479 227 HA ILE 29 HA ILE 29 13.637 -1.035 -1.035 228 HB ILE 29 HB ILE 29 11.530 0.389 0.389 229 1HG1 ILE 29 1HG1 ILE 29 10.277 -1.302 -1.302 230 2HG1 ILE 29 2HG1 ILE 29 11.057 -2.337 -2.337 231 1HG2 ILE 29 2HG2 ILE 29 13.318 -0.003 -0.003 232 2HG2 ILE 29 3HG2 ILE 29 13.418 -1.718 -1.718 233 3HG2 ILE 29 1HG2 ILE 29 11.952 -1.051 -1.051 234 1HD1 ILE 29 2HD1 ILE 29 12.819 -3.039 -3.039 235 2HD1 ILE 29 3HD1 ILE 29 11.996 -2.087 -2.087 236 3HD1 ILE 29 1HD1 ILE 29 11.166 -3.457 -3.457 237 H LYS 30 H LYS 30 13.711 2.286 2.286 238 HA LYS 30 HA LYS 30 15.847 1.924 1.924 239 1HB LYS 30 1HB LYS 30 15.184 4.093 4.093 240 2HB LYS 30 2HB LYS 30 14.278 4.119 4.119 241 1HG LYS 30 1HG LYS 30 17.328 4.487 4.487 242 2HG LYS 30 2HG LYS 30 16.353 5.821 5.821 243 1HD LYS 30 1HD LYS 30 14.966 5.381 5.381 244 2HD LYS 30 2HD LYS 30 16.447 4.537 4.537 245 1HE LYS 30 1HE LYS 30 17.527 6.539 6.539 246 2HE LYS 30 2HE LYS 30 17.279 7.037 7.037 247 1HZ LYS 30 2HZ LYS 30 14.979 7.171 7.171 248 2HZ LYS 30 3HZ LYS 30 16.183 8.339 8.339 249 3HZ LYS 30 1HZ LYS 30 15.363 8.135 8.135 250 H GLN 31 H GLN 31 15.797 2.297 2.297 251 HA GLN 31 HA GLN 31 18.766 2.875 2.875 252 1HB GLN 31 1HB GLN 31 16.582 3.718 3.718 253 2HB GLN 31 2HB GLN 31 17.263 2.463 2.463 254 1HG GLN 31 1HG GLN 31 19.588 3.765 3.765 255 2HG GLN 31 2HG GLN 31 18.626 5.079 5.079 256 1HE2 GLN 31 2HE2 GLN 31 19.165 4.790 4.790 257 2HE2 GLN 31 1HE2 GLN 31 20.060 3.767 3.767 258 H SER 32 H SER 32 18.068 0.368 0.368 259 HA SER 32 HA SER 32 20.072 -1.073 -1.073 260 1HB SER 32 1HB SER 32 17.906 -1.526 -1.526 261 2HB SER 32 2HB SER 32 17.246 -2.344 -2.344 262 HG SER 32 HG SER 32 18.150 -3.917 -3.917 263 H GLU 33 H GLU 33 19.588 -0.090 -0.090 264 HA GLU 33 HA GLU 33 20.204 -2.753 -2.753 265 1HB GLU 33 1HB GLU 33 18.003 -0.812 -0.812 266 2HB GLU 33 2HB GLU 33 19.004 -0.913 -0.913 267 1HG GLU 33 1HG GLU 33 18.377 -3.657 -3.657 268 2HG GLU 33 2HG GLU 33 16.899 -2.739 -2.739 269 H LEU 34 H LEU 34 21.869 -0.654 -0.654 270 HA LEU 34 HA LEU 34 22.751 1.186 1.186 271 1HB LEU 34 1HB LEU 34 24.816 1.482 1.482 272 2HB LEU 34 2HB LEU 34 23.355 1.496 1.496 273 HG LEU 34 HG LEU 34 24.997 -1.049 -1.049 274 1HD1 LEU 34 2HD1 LEU 34 26.532 0.729 0.729 275 2HD1 LEU 34 3HD1 LEU 34 25.387 1.081 1.081 276 3HD1 LEU 34 1HD1 LEU 34 26.202 -0.499 -0.499 277 1HD2 LEU 34 2HD2 LEU 34 23.023 -0.192 -0.192 278 2HD2 LEU 34 3HD2 LEU 34 22.774 -1.457 -1.457 279 3HD2 LEU 34 1HD2 LEU 34 23.997 -1.688 -1.688 280 H SER 35 H SER 35 23.853 -1.994 -1.994 281 HA SER 35 HA SER 35 24.673 -2.397 -2.397 282 1HB SER 35 1HB SER 35 27.025 -3.341 -3.341 283 2HB SER 35 2HB SER 35 26.878 -1.605 -1.605 284 HG SER 35 HG SER 35 27.925 -1.940 -1.940 285 H ALA 36 H ALA 36 22.735 -3.210 -3.210 286 HA ALA 36 HA ALA 36 23.476 -5.445 -5.445 287 1HB ALA 36 2HB ALA 36 21.317 -4.155 -4.155 288 2HB ALA 36 3HB ALA 36 20.752 -4.812 -4.812 289 3HB ALA 36 1HB ALA 36 20.959 -5.887 -5.887 290 H LYS 37 H LYS 37 21.607 -5.691 -5.691 291 HA LYS 37 HA LYS 37 23.278 -8.152 -8.152 292 1HB LYS 37 1HB LYS 37 20.689 -8.427 -8.427 293 2HB LYS 37 2HB LYS 37 20.325 -8.352 -8.352 294 1HG LYS 37 1HG LYS 37 22.184 -10.224 -10.224 295 2HG LYS 37 2HG LYS 37 22.150 -10.384 -10.384 296 1HD LYS 37 1HD LYS 37 20.721 -12.094 -12.094 297 2HD LYS 37 2HD LYS 37 19.637 -10.911 -10.911 298 1HE LYS 37 1HE LYS 37 20.386 -10.306 -10.306 299 2HE LYS 37 2HE LYS 37 19.366 -11.736 -11.736 300 1HZ LYS 37 1HZ LYS 37 18.664 -9.302 -9.302 301 2HZ LYS 37 2HZ LYS 37 18.327 -9.368 -9.368 302 3HZ LYS 37 3HZ LYS 37 17.674 -10.518 -10.518 303 H MET 38 H MET 38 23.296 -5.433 -5.433 304 HA MET 38 HA MET 38 21.852 -5.288 -5.288 305 1HB MET 38 1HB MET 38 23.244 -3.451 -3.451 306 2HB MET 38 2HB MET 38 24.179 -3.452 -3.452 307 1HG MET 38 1HG MET 38 21.256 -3.191 -3.191 308 2HG MET 38 2HG MET 38 21.874 -1.919 -1.919 309 1HE MET 38 1HE MET 38 23.221 -0.315 -0.315 310 2HE MET 38 3HE MET 38 24.184 0.165 0.165 311 3HE MET 38 2HE MET 38 22.416 0.442 0.442 Start of MODEL 7 1 1H THR 1 1H THR 1 -23.210 -12.339 -12.339 2 2H THR 1 2H THR 1 -22.680 -11.415 -11.415 3 3H THR 1 3H THR 1 -21.634 -12.505 -12.505 4 HA THR 1 HA THR 1 -21.459 -11.279 -11.279 5 HB THR 1 HB THR 1 -21.524 -8.994 -8.994 6 HG1 THR 1 HG1 THR 1 -19.706 -9.852 -9.852 7 1HG2 THR 1 3HG2 THR 1 -19.226 -10.025 -10.025 8 2HG2 THR 1 1HG2 THR 1 -19.152 -8.586 -8.586 9 3HG2 THR 1 2HG2 THR 1 -20.242 -8.603 -8.603 10 HA PRO 2 HA PRO 2 -24.858 -9.071 -9.071 11 1HB PRO 2 1HB PRO 2 -22.692 -7.093 -7.093 12 2HB PRO 2 2HB PRO 2 -24.007 -7.931 -7.931 13 1HG PRO 2 1HG PRO 2 -21.330 -8.794 -8.794 14 2HG PRO 2 2HG PRO 2 -22.851 -9.909 -9.909 15 1HD PRO 2 1HD PRO 2 -20.997 -8.871 -8.871 16 2HD PRO 2 2HD PRO 2 -21.470 -10.613 -10.613 17 H ASP 3 H ASP 3 -25.054 -6.448 -6.448 18 HA ASP 3 HA ASP 3 -25.871 -5.229 -5.229 19 1HB ASP 3 1HB ASP 3 -26.895 -4.216 -4.216 20 2HB ASP 3 2HB ASP 3 -25.401 -4.219 -4.219 21 H VAL 4 H VAL 4 -24.502 -5.275 -5.275 22 HA VAL 4 HA VAL 4 -21.613 -4.735 -4.735 23 HB VAL 4 HB VAL 4 -23.435 -5.226 -5.226 24 1HG1 VAL 4 1HG2 VAL 4 -20.440 -4.516 -4.516 25 2HG1 VAL 4 2HG2 VAL 4 -21.511 -5.198 -5.198 26 3HG1 VAL 4 3HG2 VAL 4 -21.826 -3.589 -3.589 27 1HG2 VAL 4 2HG1 VAL 4 -22.565 -7.240 -7.240 28 2HG2 VAL 4 3HG1 VAL 4 -22.013 -7.226 -7.226 29 3HG2 VAL 4 1HG1 VAL 4 -20.893 -6.759 -6.759 30 H SER 5 H SER 5 -24.326 -2.728 -2.728 31 HA SER 5 HA SER 5 -22.842 -0.478 -0.478 32 1HB SER 5 1HB SER 5 -25.517 -0.824 -0.824 33 2HB SER 5 2HB SER 5 -24.878 0.812 0.812 34 HG SER 5 HG SER 5 -24.997 -0.767 -0.767 35 H SER 6 H SER 6 -23.703 -1.257 -1.257 36 HA SER 6 HA SER 6 -21.592 0.799 0.799 37 1HB SER 6 1HB SER 6 -23.437 -0.334 -0.334 38 2HB SER 6 2HB SER 6 -22.841 1.308 1.308 39 HG SER 6 HG SER 6 -24.432 1.750 1.750 40 H ALA 7 H ALA 7 -20.991 -1.779 -1.779 41 HA ALA 7 HA ALA 7 -20.068 -3.243 -3.243 42 1HB ALA 7 2HB ALA 7 -20.993 -4.537 -4.537 43 2HB ALA 7 3HB ALA 7 -19.724 -3.876 -3.876 44 3HB ALA 7 1HB ALA 7 -19.297 -4.985 -4.985 45 H LEU 8 H LEU 8 -18.847 -1.077 -1.077 46 HA LEU 8 HA LEU 8 -15.986 -1.465 -1.465 47 1HB LEU 8 1HB LEU 8 -17.244 -0.151 -0.151 48 2HB LEU 8 2HB LEU 8 -16.923 1.214 1.214 49 HG LEU 8 HG LEU 8 -15.085 -0.327 -0.327 50 1HD1 LEU 8 2HD1 LEU 8 -15.569 2.127 2.127 51 2HD1 LEU 8 3HD1 LEU 8 -14.860 2.442 2.442 52 3HD1 LEU 8 1HD1 LEU 8 -13.840 1.845 1.845 53 1HD2 LEU 8 2HD2 LEU 8 -14.096 0.337 0.337 54 2HD2 LEU 8 3HD2 LEU 8 -14.172 -1.273 -1.273 55 3HD2 LEU 8 1HD2 LEU 8 -13.037 -0.070 -0.070 56 H ASP 9 H ASP 9 -18.713 0.394 0.394 57 HA ASP 9 HA ASP 9 -17.387 2.316 2.316 58 1HB ASP 9 1HB ASP 9 -19.883 2.331 2.331 59 2HB ASP 9 2HB ASP 9 -20.026 0.776 0.776 60 H LYS 10 H LYS 10 -17.962 -1.056 -1.056 61 HA LYS 10 HA LYS 10 -17.621 -0.902 -0.902 62 1HB LYS 10 1HB LYS 10 -17.321 -3.294 -3.294 63 2HB LYS 10 2HB LYS 10 -18.377 -2.989 -2.989 64 1HG LYS 10 1HG LYS 10 -16.430 -3.198 -3.198 65 2HG LYS 10 2HG LYS 10 -15.300 -3.309 -3.309 66 1HD LYS 10 1HD LYS 10 -15.816 -5.562 -5.562 67 2HD LYS 10 2HD LYS 10 -17.534 -5.353 -5.353 68 1HE LYS 10 1HE LYS 10 -15.644 -4.837 -4.837 69 2HE LYS 10 2HE LYS 10 -15.680 -6.517 -6.517 70 1HZ LYS 10 1HZ LYS 10 -18.157 -4.962 -4.962 71 2HZ LYS 10 2HZ LYS 10 -17.394 -5.910 -5.910 72 3HZ LYS 10 3HZ LYS 10 -18.009 -6.620 -6.620 73 H LEU 11 H LEU 11 -15.250 -1.175 -1.175 74 HA LEU 11 HA LEU 11 -12.991 -0.996 -0.996 75 1HB LEU 11 1HB LEU 11 -13.085 -0.634 -0.634 76 2HB LEU 11 2HB LEU 11 -11.606 -0.552 -0.552 77 HG LEU 11 HG LEU 11 -13.433 -3.016 -3.016 78 1HD1 LEU 11 2HD1 LEU 11 -12.178 -2.437 -2.437 79 2HD1 LEU 11 3HD1 LEU 11 -10.638 -2.433 -2.433 80 3HD1 LEU 11 1HD1 LEU 11 -11.564 -3.942 -3.942 81 1HD2 LEU 11 2HD2 LEU 11 -10.712 -2.748 -2.748 82 2HD2 LEU 11 3HD2 LEU 11 -12.291 -3.123 -3.123 83 3HD2 LEU 11 1HD2 LEU 11 -11.536 -4.293 -4.293 84 H LYS 12 H LYS 12 -13.033 1.222 1.222 85 HA LYS 12 HA LYS 12 -12.553 3.552 3.552 86 1HB LYS 12 1HB LYS 12 -14.974 3.562 3.562 87 2HB LYS 12 2HB LYS 12 -14.468 3.437 3.437 88 1HG LYS 12 1HG LYS 12 -14.774 5.778 5.778 89 2HG LYS 12 2HG LYS 12 -13.059 5.681 5.681 90 1HD LYS 12 1HD LYS 12 -13.799 5.674 5.674 91 2HD LYS 12 2HD LYS 12 -15.453 5.972 5.972 92 1HE LYS 12 1HE LYS 12 -14.267 7.933 7.933 93 2HE LYS 12 2HE LYS 12 -13.006 7.825 7.825 94 1HZ LYS 12 1HZ LYS 12 -15.905 8.188 8.188 95 2HZ LYS 12 2HZ LYS 12 -14.735 9.395 9.395 96 3HZ LYS 12 3HZ LYS 12 -14.673 8.131 8.131 97 H GLU 13 H GLU 13 -13.002 3.631 3.631 98 HA GLU 13 HA GLU 13 -10.638 4.828 4.828 99 1HB GLU 13 1HB GLU 13 -12.216 4.181 4.181 100 2HB GLU 13 2HB GLU 13 -12.263 2.514 2.514 101 1HG GLU 13 1HG GLU 13 -11.148 2.610 2.610 102 2HG GLU 13 2HG GLU 13 -9.954 2.117 2.117 103 H PHE 14 H PHE 14 -10.719 1.312 1.312 104 HA PHE 14 HA PHE 14 -8.051 0.763 0.763 105 1HB PHE 14 1HB PHE 14 -9.032 -1.314 -1.314 106 2HB PHE 14 2HB PHE 14 -10.240 -0.792 -0.792 107 HD1 PHE 14 HD1 PHE 14 -6.596 -1.755 -1.755 108 HD2 PHE 14 HD2 PHE 14 -10.149 -1.482 -1.482 109 HE1 PHE 14 HE1 PHE 14 -5.549 -3.178 -3.178 110 HE2 PHE 14 HE2 PHE 14 -9.091 -2.902 -2.902 111 HZ PHE 14 HZ PHE 14 -6.805 -3.785 -3.785 112 H GLY 15 H GLY 15 -9.252 1.864 1.864 113 1HA GLY 15 1HA GLY 15 -6.716 1.235 1.235 114 2HA GLY 15 2HA GLY 15 -7.994 2.336 2.336 115 H ASN 16 H ASN 16 -8.206 4.250 4.250 116 HA ASN 16 HA ASN 16 -5.987 6.013 6.013 117 1HB ASN 16 1HB ASN 16 -8.106 6.894 6.894 118 2HB ASN 16 2HB ASN 16 -8.173 5.777 5.777 119 1HD2 ASN 16 1HD2 ASN 16 -7.114 8.544 8.544 120 2HD2 ASN 16 2HD2 ASN 16 -8.473 7.359 7.359 121 H THR 17 H THR 17 -6.381 3.459 3.459 122 HA THR 17 HA THR 17 -4.391 4.570 4.570 123 HB THR 17 HB THR 17 -5.585 1.729 1.729 124 HG1 THR 17 HG1 THR 17 -6.844 2.413 2.413 125 1HG2 THR 17 3HG2 THR 17 -4.101 2.897 2.897 126 2HG2 THR 17 1HG2 THR 17 -4.975 1.346 1.346 127 3HG2 THR 17 2HG2 THR 17 -3.515 1.553 1.553 128 H LEU 18 H LEU 18 -4.268 2.410 2.410 129 HA LEU 18 HA LEU 18 -1.351 1.859 1.859 130 1HB LEU 18 1HB LEU 18 -1.504 0.320 0.320 131 2HB LEU 18 2HB LEU 18 -3.217 0.442 0.442 132 HG LEU 18 HG LEU 18 -2.578 2.469 2.469 133 1HD1 LEU 18 2HD1 LEU 18 -0.547 1.074 1.074 134 2HD1 LEU 18 3HD1 LEU 18 -1.565 -0.371 -0.371 135 3HD1 LEU 18 1HD1 LEU 18 -1.709 1.000 1.000 136 1HD2 LEU 18 2HD2 LEU 18 -4.193 -0.173 -0.173 137 2HD2 LEU 18 3HD2 LEU 18 -4.831 1.447 1.447 138 3HD2 LEU 18 1HD2 LEU 18 -4.201 1.112 1.112 139 H GLU 19 H GLU 19 -3.214 4.291 4.291 140 HA GLU 19 HA GLU 19 -0.686 5.375 5.375 141 1HB GLU 19 1HB GLU 19 -3.181 5.374 5.374 142 2HB GLU 19 2HB GLU 19 -3.452 6.729 6.729 143 1HG GLU 19 1HG GLU 19 -2.639 8.158 8.158 144 2HG GLU 19 2HG GLU 19 -1.060 7.422 7.422 145 H ASP 20 H ASP 20 -1.061 5.139 5.139 146 HA ASP 20 HA ASP 20 0.132 7.886 7.886 147 1HB ASP 20 1HB ASP 20 -2.493 7.407 7.407 148 2HB ASP 20 2HB ASP 20 -1.546 6.937 6.937 149 H LYS 21 H LYS 21 -0.550 4.723 4.723 150 HA LYS 21 HA LYS 21 1.836 4.642 4.642 151 1HB LYS 21 1HB LYS 21 0.286 2.376 2.376 152 2HB LYS 21 2HB LYS 21 1.579 2.063 2.063 153 1HG LYS 21 1HG LYS 21 0.277 2.820 2.820 154 2HG LYS 21 2HG LYS 21 -0.730 3.878 3.878 155 1HD LYS 21 1HD LYS 21 -2.199 2.118 2.118 156 2HD LYS 21 2HD LYS 21 -1.611 1.569 1.569 157 1HE LYS 21 1HE LYS 21 0.407 0.591 0.591 158 2HE LYS 21 2HE LYS 21 -1.040 0.401 0.401 159 1HZ LYS 21 1HZ LYS 21 -1.116 -0.430 -0.430 160 2HZ LYS 21 2HZ LYS 21 -0.427 -1.430 -1.430 161 3HZ LYS 21 3HZ LYS 21 -2.040 -0.972 -0.972 162 H ALA 22 H ALA 22 1.248 3.682 3.682 163 HA ALA 22 HA ALA 22 3.814 2.418 2.418 164 1HB ALA 22 2HB ALA 22 1.844 2.272 2.272 165 2HB ALA 22 3HB ALA 22 2.026 3.990 3.990 166 3HB ALA 22 1HB ALA 22 3.283 2.816 2.816 167 H ARG 23 H ARG 23 2.997 5.781 5.781 168 HA ARG 23 HA ARG 23 5.320 6.699 6.699 169 1HB ARG 23 1HB ARG 23 3.078 7.896 7.896 170 2HB ARG 23 2HB ARG 23 4.555 8.825 8.825 171 1HG ARG 23 1HG ARG 23 4.029 9.851 9.851 172 2HG ARG 23 2HG ARG 23 4.381 8.327 8.327 173 1HD ARG 23 1HD ARG 23 2.115 7.770 7.770 174 2HD ARG 23 2HD ARG 23 1.630 8.542 8.542 175 HE ARG 23 HE ARG 23 2.183 10.009 10.009 176 1HH1 ARG 23 2HH2 ARG 23 1.078 10.181 10.181 177 2HH1 ARG 23 1HH2 ARG 23 0.345 11.854 11.854 178 1HH2 ARG 23 1HH1 ARG 23 1.366 11.809 11.809 179 2HH2 ARG 23 2HH1 ARG 23 0.501 12.747 12.747 180 H GLU 24 H GLU 24 4.651 6.758 6.758 181 HA GLU 24 HA GLU 24 7.338 7.806 7.806 182 1HB GLU 24 1HB GLU 24 5.519 6.161 6.161 183 2HB GLU 24 2HB GLU 24 6.702 7.358 7.358 184 1HG GLU 24 1HG GLU 24 5.278 9.210 9.210 185 2HG GLU 24 2HG GLU 24 4.349 8.303 8.303 186 H LEU 25 H LEU 25 5.926 4.625 4.625 187 HA LEU 25 HA LEU 25 8.264 3.279 3.279 188 1HB LEU 25 1HB LEU 25 6.643 1.701 1.701 189 2HB LEU 25 2HB LEU 25 5.556 2.558 2.558 190 HG LEU 25 HG LEU 25 7.668 0.787 0.787 191 1HD1 LEU 25 2HD1 LEU 25 6.819 -0.593 -0.593 192 2HD1 LEU 25 3HD1 LEU 25 5.138 -0.323 -0.323 193 3HD1 LEU 25 1HD1 LEU 25 6.260 -1.246 -1.246 194 1HD2 LEU 25 2HD2 LEU 25 4.691 1.367 1.367 195 2HD2 LEU 25 3HD2 LEU 25 6.114 2.009 2.009 196 3HD2 LEU 25 1HD2 LEU 25 5.752 0.281 0.281 197 H ILE 26 H ILE 26 7.360 4.218 4.218 198 HA ILE 26 HA ILE 26 9.366 2.624 2.624 199 HB ILE 26 HB ILE 26 7.723 5.046 5.046 200 1HG1 ILE 26 1HG1 ILE 26 8.697 3.142 3.142 201 2HG1 ILE 26 2HG1 ILE 26 7.590 2.533 2.533 202 1HG2 ILE 26 2HG2 ILE 26 9.965 6.154 6.154 203 2HG2 ILE 26 3HG2 ILE 26 10.419 4.814 4.814 204 3HG2 ILE 26 1HG2 ILE 26 9.091 5.920 5.920 205 1HD1 ILE 26 2HD1 ILE 26 5.886 4.313 4.313 206 2HD1 ILE 26 3HD1 ILE 26 6.933 4.899 4.899 207 3HD1 ILE 26 1HD1 ILE 26 6.269 3.257 3.257 208 H SER 27 H SER 27 9.587 5.612 5.612 209 HA SER 27 HA SER 27 12.473 5.956 5.956 210 1HB SER 27 1HB SER 27 11.811 7.931 7.931 211 2HB SER 27 2HB SER 27 10.447 7.214 7.214 212 HG SER 27 HG SER 27 11.678 6.858 6.858 213 H ARG 28 H ARG 28 10.617 4.256 4.256 214 HA ARG 28 HA ARG 28 12.972 3.179 3.179 215 1HB ARG 28 1HB ARG 28 10.677 3.152 3.152 216 2HB ARG 28 2HB ARG 28 10.060 2.170 2.170 217 1HG ARG 28 1HG ARG 28 12.000 0.417 0.417 218 2HG ARG 28 2HG ARG 28 11.793 1.353 1.353 219 1HD ARG 28 1HD ARG 28 9.248 0.902 0.902 220 2HD ARG 28 2HD ARG 28 9.596 -0.171 -0.171 221 HE ARG 28 HE ARG 28 10.009 -0.794 -0.794 222 1HH1 ARG 28 2HH2 ARG 28 11.559 -1.304 -1.304 223 2HH1 ARG 28 1HH2 ARG 28 12.384 -2.849 -2.849 224 1HH2 ARG 28 2HH1 ARG 28 12.043 -3.491 -3.491 225 2HH2 ARG 28 1HH1 ARG 28 10.929 -2.474 -2.474 226 H ILE 29 H ILE 29 11.643 2.517 2.517 227 HA ILE 29 HA ILE 29 12.562 -0.363 -0.363 228 HB ILE 29 HB ILE 29 10.862 1.313 1.313 229 1HG1 ILE 29 1HG1 ILE 29 9.260 -0.033 -0.033 230 2HG1 ILE 29 2HG1 ILE 29 9.875 -1.293 -1.293 231 1HG2 ILE 29 2HG2 ILE 29 12.582 0.454 0.454 232 2HG2 ILE 29 3HG2 ILE 29 12.324 -1.211 -1.211 233 3HG2 ILE 29 1HG2 ILE 29 11.041 -0.320 -0.320 234 1HD1 ILE 29 2HD1 ILE 29 11.383 -2.184 -2.184 235 2HD1 ILE 29 3HD1 ILE 29 10.706 -0.990 -0.990 236 3HD1 ILE 29 1HD1 ILE 29 9.658 -2.231 -2.231 237 H LYS 30 H LYS 30 13.452 2.718 2.718 238 HA LYS 30 HA LYS 30 15.645 1.901 1.901 239 1HB LYS 30 1HB LYS 30 15.080 4.321 4.321 240 2HB LYS 30 2HB LYS 30 16.744 4.126 4.126 241 1HG LYS 30 1HG LYS 30 15.350 5.584 5.584 242 2HG LYS 30 2HG LYS 30 16.089 4.209 4.209 243 1HD LYS 30 1HD LYS 30 13.814 3.009 3.009 244 2HD LYS 30 2HD LYS 30 13.158 4.499 4.499 245 1HE LYS 30 1HE LYS 30 14.696 4.744 4.744 246 2HE LYS 30 2HE LYS 30 13.058 4.076 4.076 247 1HZ LYS 30 1HZ LYS 30 12.400 6.052 6.052 248 2HZ LYS 30 2HZ LYS 30 13.893 6.719 6.719 249 3HZ LYS 30 3HZ LYS 30 12.785 6.361 6.361 250 H GLN 31 H GLN 31 15.456 2.148 2.148 251 HA GLN 31 HA GLN 31 18.318 1.191 1.191 252 1HB GLN 31 1HB GLN 31 16.696 2.930 2.930 253 2HB GLN 31 2HB GLN 31 16.590 1.458 1.458 254 1HG GLN 31 1HG GLN 31 19.280 1.470 1.470 255 2HG GLN 31 2HG GLN 31 19.116 3.124 3.124 256 1HE2 GLN 31 2HE2 GLN 31 17.734 2.718 2.718 257 2HE2 GLN 31 1HE2 GLN 31 17.056 1.638 1.638 258 H SER 32 H SER 32 16.774 -0.632 -0.632 259 HA SER 32 HA SER 32 17.493 -2.930 -2.930 260 1HB SER 32 1HB SER 32 15.154 -2.132 -2.132 261 2HB SER 32 2HB SER 32 14.448 -2.823 -2.823 262 HG SER 32 HG SER 32 14.507 -4.586 -4.586 263 H GLU 33 H GLU 33 18.290 -2.090 -2.090 264 HA GLU 33 HA GLU 33 16.946 -4.084 -4.084 265 1HB GLU 33 1HB GLU 33 17.323 -1.153 -1.153 266 2HB GLU 33 2HB GLU 33 18.186 -1.915 -1.915 267 1HG GLU 33 1HG GLU 33 15.474 -3.092 -3.092 268 2HG GLU 33 2HG GLU 33 15.320 -1.354 -1.354 269 H LEU 34 H LEU 34 19.221 -4.381 -4.381 270 HA LEU 34 HA LEU 34 21.748 -4.226 -4.226 271 1HB LEU 34 1HB LEU 34 22.387 -6.325 -6.325 272 2HB LEU 34 2HB LEU 34 21.683 -5.052 -5.052 273 HG LEU 34 HG LEU 34 19.940 -7.355 -7.355 274 1HD1 LEU 34 2HD1 LEU 34 21.948 -8.387 -8.387 275 2HD1 LEU 34 3HD1 LEU 34 21.690 -7.392 -7.392 276 3HD1 LEU 34 1HD1 LEU 34 20.493 -8.624 -8.624 277 1HD2 LEU 34 2HD2 LEU 34 19.754 -5.526 -5.526 278 2HD2 LEU 34 3HD2 LEU 34 18.696 -5.488 -5.488 279 3HD2 LEU 34 1HD2 LEU 34 18.654 -6.887 -6.887 280 H SER 35 H SER 35 19.122 -6.422 -6.422 281 HA SER 35 HA SER 35 18.960 -8.241 -8.241 282 1HB SER 35 1HB SER 35 20.653 -6.247 -6.247 283 2HB SER 35 2HB SER 35 20.153 -7.774 -7.774 284 HG SER 35 HG SER 35 17.936 -6.935 -6.935 285 H ALA 36 H ALA 36 20.997 -8.326 -8.326 286 HA ALA 36 HA ALA 36 22.524 -10.056 -10.056 287 1HB ALA 36 2HB ALA 36 20.852 -11.559 -11.559 288 2HB ALA 36 3HB ALA 36 21.649 -11.274 -11.274 289 3HB ALA 36 1HB ALA 36 22.499 -12.157 -12.157 290 H LYS 37 H LYS 37 23.673 -7.902 -7.902 291 HA LYS 37 HA LYS 37 25.864 -7.142 -7.142 292 1HB LYS 37 1HB LYS 37 26.166 -9.832 -9.832 293 2HB LYS 37 2HB LYS 37 26.846 -9.872 -9.872 294 1HG LYS 37 1HG LYS 37 28.682 -8.463 -8.463 295 2HG LYS 37 2HG LYS 37 27.771 -7.595 -7.595 296 1HD LYS 37 1HD LYS 37 28.500 -9.048 -9.048 297 2HD LYS 37 2HD LYS 37 28.194 -10.487 -10.487 298 1HE LYS 37 1HE LYS 37 30.548 -10.571 -10.571 299 2HE LYS 37 2HE LYS 37 30.311 -9.516 -9.516 300 1HZ LYS 37 1HZ LYS 37 30.309 -8.124 -8.124 301 2HZ LYS 37 2HZ LYS 37 31.767 -8.863 -8.863 302 3HZ LYS 37 3HZ LYS 37 31.078 -7.744 -7.744 303 H MET 38 H MET 38 23.790 -7.192 -7.192 304 HA MET 38 HA MET 38 25.255 -7.619 -7.619 305 1HB MET 38 1HB MET 38 22.947 -7.983 -7.983 306 2HB MET 38 2HB MET 38 22.467 -6.811 -6.811 307 1HG MET 38 1HG MET 38 22.035 -5.232 -5.232 308 2HG MET 38 2HG MET 38 23.698 -5.336 -5.336 309 1HE MET 38 1HE MET 38 24.493 -6.132 -6.132 310 2HE MET 38 3HE MET 38 23.916 -7.418 -7.418 311 3HE MET 38 2HE MET 38 23.369 -5.730 -5.730 Start of MODEL 8 1 1H THR 1 2H THR 1 -24.346 -7.541 -7.541 2 2H THR 1 3H THR 1 -22.776 -6.970 -6.970 3 3H THR 1 1H THR 1 -23.047 -8.607 -8.607 4 HA THR 1 HA THR 1 -23.856 -9.014 -9.014 5 HB THR 1 HB THR 1 -21.330 -7.959 -7.959 6 HG1 THR 1 HG1 THR 1 -21.035 -8.612 -8.612 7 1HG2 THR 1 3HG2 THR 1 -22.610 -6.204 -6.204 8 2HG2 THR 1 1HG2 THR 1 -20.864 -6.371 -6.371 9 3HG2 THR 1 2HG2 THR 1 -21.893 -5.586 -5.586 10 HA PRO 2 HA PRO 2 -26.868 -6.443 -6.443 11 1HB PRO 2 1HB PRO 2 -25.381 -7.115 -7.115 12 2HB PRO 2 2HB PRO 2 -27.205 -7.336 -7.336 13 1HG PRO 2 1HG PRO 2 -25.358 -9.467 -9.467 14 2HG PRO 2 2HG PRO 2 -26.769 -9.218 -9.218 15 1HD PRO 2 1HD PRO 2 -23.739 -8.547 -8.547 16 2HD PRO 2 2HD PRO 2 -24.674 -9.498 -9.498 17 H ASP 3 H ASP 3 -27.200 -4.896 -4.896 18 HA ASP 3 HA ASP 3 -26.793 -2.581 -2.581 19 1HB ASP 3 1HB ASP 3 -26.334 -3.569 -3.569 20 2HB ASP 3 2HB ASP 3 -24.933 -4.431 -4.431 21 H VAL 4 H VAL 4 -23.391 -3.366 -3.366 22 HA VAL 4 HA VAL 4 -21.533 -2.149 -2.149 23 HB VAL 4 HB VAL 4 -22.555 -3.664 -3.664 24 1HG1 VAL 4 1HG2 VAL 4 -23.112 -0.909 -0.909 25 2HG1 VAL 4 2HG2 VAL 4 -23.099 -2.478 -2.478 26 3HG1 VAL 4 3HG2 VAL 4 -24.324 -2.158 -2.158 27 1HG2 VAL 4 2HG1 VAL 4 -20.133 -2.915 -2.915 28 2HG2 VAL 4 3HG1 VAL 4 -20.795 -2.998 -2.998 29 3HG2 VAL 4 1HG1 VAL 4 -20.588 -1.415 -1.415 30 H SER 5 H SER 5 -23.636 -0.576 -0.576 31 HA SER 5 HA SER 5 -23.329 1.937 1.937 32 1HB SER 5 1HB SER 5 -25.758 0.718 0.718 33 2HB SER 5 2HB SER 5 -25.587 2.407 2.407 34 HG SER 5 HG SER 5 -25.792 1.255 1.255 35 H SER 6 H SER 6 -23.561 0.609 0.609 36 HA SER 6 HA SER 6 -21.718 2.902 2.902 37 1HB SER 6 1HB SER 6 -22.888 3.352 3.352 38 2HB SER 6 2HB SER 6 -24.204 3.149 3.149 39 HG SER 6 HG SER 6 -24.826 1.418 1.418 40 H ALA 7 H ALA 7 -21.089 0.342 0.342 41 HA ALA 7 HA ALA 7 -20.315 -1.221 -1.221 42 1HB ALA 7 2HB ALA 7 -21.009 -2.385 -2.385 43 2HB ALA 7 3HB ALA 7 -19.656 -1.631 -1.631 44 3HB ALA 7 1HB ALA 7 -19.339 -2.824 -2.824 45 H LEU 8 H LEU 8 -18.915 1.106 1.106 46 HA LEU 8 HA LEU 8 -16.125 0.719 0.719 47 1HB LEU 8 1HB LEU 8 -16.915 2.106 2.106 48 2HB LEU 8 2HB LEU 8 -17.429 3.351 3.351 49 HG LEU 8 HG LEU 8 -15.143 3.823 3.823 50 1HD1 LEU 8 2HD1 LEU 8 -14.279 1.465 1.465 51 2HD1 LEU 8 3HD1 LEU 8 -14.253 1.405 1.405 52 3HD1 LEU 8 1HD1 LEU 8 -13.177 2.520 2.520 53 1HD2 LEU 8 2HD2 LEU 8 -15.265 3.492 3.492 54 2HD2 LEU 8 3HD2 LEU 8 -15.757 4.922 4.922 55 3HD2 LEU 8 1HD2 LEU 8 -14.051 4.465 4.465 56 H ASP 9 H ASP 9 -18.933 2.428 2.428 57 HA ASP 9 HA ASP 9 -17.614 3.711 3.711 58 1HB ASP 9 1HB ASP 9 -20.021 4.210 4.210 59 2HB ASP 9 2HB ASP 9 -20.495 2.593 2.593 60 H LYS 10 H LYS 10 -18.876 0.485 0.485 61 HA LYS 10 HA LYS 10 -18.767 -0.340 -0.340 62 1HB LYS 10 1HB LYS 10 -18.341 -2.006 -2.006 63 2HB LYS 10 2HB LYS 10 -18.552 -2.725 -2.725 64 1HG LYS 10 1HG LYS 10 -20.861 -1.720 -1.720 65 2HG LYS 10 2HG LYS 10 -20.628 -0.833 -0.833 66 1HD LYS 10 1HD LYS 10 -22.070 -2.897 -2.897 67 2HD LYS 10 2HD LYS 10 -20.663 -2.951 -2.951 68 1HE LYS 10 1HE LYS 10 -19.379 -4.357 -4.357 69 2HE LYS 10 2HE LYS 10 -20.710 -4.271 -4.271 70 1HZ LYS 10 2HZ LYS 10 -22.034 -5.121 -5.121 71 2HZ LYS 10 3HZ LYS 10 -20.528 -5.793 -5.793 72 3HZ LYS 10 1HZ LYS 10 -21.311 -6.154 -6.154 73 H LEU 11 H LEU 11 -16.303 -0.285 -0.285 74 HA LEU 11 HA LEU 11 -14.263 -1.263 -1.263 75 1HB LEU 11 1HB LEU 11 -14.147 -0.534 -0.534 76 2HB LEU 11 2HB LEU 11 -12.666 -0.675 -0.675 77 HG LEU 11 HG LEU 11 -12.744 -2.983 -2.983 78 1HD1 LEU 11 2HD1 LEU 11 -14.867 -3.092 -3.092 79 2HD1 LEU 11 3HD1 LEU 11 -15.837 -2.907 -2.907 80 3HD1 LEU 11 1HD1 LEU 11 -14.835 -4.358 -4.358 81 1HD2 LEU 11 2HD2 LEU 11 -14.553 -2.435 -2.435 82 2HD2 LEU 11 3HD2 LEU 11 -12.774 -2.505 -2.505 83 3HD2 LEU 11 1HD2 LEU 11 -13.708 -3.974 -3.974 84 H LYS 12 H LYS 12 -13.629 1.300 1.300 85 HA LYS 12 HA LYS 12 -12.519 3.367 3.367 86 1HB LYS 12 1HB LYS 12 -14.811 3.848 3.848 87 2HB LYS 12 2HB LYS 12 -14.198 3.339 3.339 88 1HG LYS 12 1HG LYS 12 -13.883 5.684 5.684 89 2HG LYS 12 2HG LYS 12 -12.296 5.202 5.202 90 1HD LYS 12 1HD LYS 12 -14.051 5.681 5.681 91 2HD LYS 12 2HD LYS 12 -14.272 7.015 7.015 92 1HE LYS 12 1HE LYS 12 -12.206 7.902 7.902 93 2HE LYS 12 2HE LYS 12 -11.395 6.388 6.388 94 1HZ LYS 12 3HZ LYS 12 -12.301 5.579 5.579 95 2HZ LYS 12 1HZ LYS 12 -12.458 7.216 7.216 96 3HZ LYS 12 2HZ LYS 12 -10.952 6.582 6.582 97 H GLU 13 H GLU 13 -12.749 2.841 2.841 98 HA GLU 13 HA GLU 13 -10.117 3.168 3.168 99 1HB GLU 13 1HB GLU 13 -11.918 0.814 0.814 100 2HB GLU 13 2HB GLU 13 -10.551 1.409 1.409 101 1HG GLU 13 1HG GLU 13 -13.259 2.813 2.813 102 2HG GLU 13 2HG GLU 13 -12.579 2.311 2.311 103 H PHE 14 H PHE 14 -11.151 -0.179 -0.179 104 HA PHE 14 HA PHE 14 -8.761 -1.516 -1.516 105 1HB PHE 14 1HB PHE 14 -10.058 -3.228 -3.228 106 2HB PHE 14 2HB PHE 14 -11.329 -2.122 -2.122 107 HD1 PHE 14 HD2 PHE 14 -10.998 -0.842 -0.842 108 HD2 PHE 14 HD1 PHE 14 -9.068 -4.513 -4.513 109 HE1 PHE 14 HE2 PHE 14 -10.849 -1.499 -1.499 110 HE2 PHE 14 HE1 PHE 14 -8.928 -5.165 -5.165 111 HZ PHE 14 HZ PHE 14 -9.846 -3.676 -3.676 112 H GLY 15 H GLY 15 -9.824 0.489 0.489 113 1HA GLY 15 1HA GLY 15 -7.593 -0.287 -0.287 114 2HA GLY 15 2HA GLY 15 -8.582 1.177 1.177 115 H ASN 16 H ASN 16 -8.181 2.622 2.622 116 HA ASN 16 HA ASN 16 -5.654 3.896 3.896 117 1HB ASN 16 1HB ASN 16 -7.388 4.969 4.969 118 2HB ASN 16 2HB ASN 16 -7.576 3.595 3.595 119 1HD2 ASN 16 1HD2 ASN 16 -5.639 5.469 5.469 120 2HD2 ASN 16 2HD2 ASN 16 -7.271 4.700 4.700 121 H THR 17 H THR 17 -6.401 0.998 0.998 122 HA THR 17 HA THR 17 -4.140 1.060 1.060 123 HB THR 17 HB THR 17 -5.530 -1.405 -1.405 124 HG1 THR 17 HG1 THR 17 -6.724 -1.341 -1.341 125 1HG2 THR 17 3HG2 THR 17 -3.949 -1.264 -1.264 126 2HG2 THR 17 1HG2 THR 17 -4.900 -2.659 -2.659 127 3HG2 THR 17 2HG2 THR 17 -3.447 -2.179 -2.179 128 H LEU 18 H LEU 18 -4.410 -0.191 -0.191 129 HA LEU 18 HA LEU 18 -1.679 -1.334 -1.334 130 1HB LEU 18 1HB LEU 18 -2.730 -0.465 -0.465 131 2HB LEU 18 2HB LEU 18 -2.144 -2.036 -2.036 132 HG LEU 18 HG LEU 18 -4.970 -0.896 -0.896 133 1HD1 LEU 18 2HD1 LEU 18 -4.280 -2.126 -2.126 134 2HD1 LEU 18 3HD1 LEU 18 -3.838 -3.556 -3.556 135 3HD1 LEU 18 1HD1 LEU 18 -5.534 -3.021 -3.021 136 1HD2 LEU 18 2HD2 LEU 18 -3.943 -3.368 -3.368 137 2HD2 LEU 18 3HD2 LEU 18 -4.622 -1.872 -1.872 138 3HD2 LEU 18 1HD2 LEU 18 -5.663 -2.953 -2.953 139 H GLU 19 H GLU 19 -2.992 1.802 1.802 140 HA GLU 19 HA GLU 19 -0.233 2.626 2.626 141 1HB GLU 19 1HB GLU 19 -2.715 2.993 2.993 142 2HB GLU 19 2HB GLU 19 -2.697 4.425 4.425 143 1HG GLU 19 1HG GLU 19 -0.221 4.013 4.013 144 2HG GLU 19 2HG GLU 19 -1.701 4.292 4.292 145 H ASP 20 H ASP 20 -1.001 2.249 2.249 146 HA ASP 20 HA ASP 20 0.262 4.903 4.903 147 1HB ASP 20 1HB ASP 20 -2.386 4.581 4.581 148 2HB ASP 20 2HB ASP 20 -1.748 3.596 3.596 149 H LYS 21 H LYS 21 -0.536 1.619 1.619 150 HA LYS 21 HA LYS 21 1.778 1.406 1.406 151 1HB LYS 21 1HB LYS 21 0.570 -0.488 -0.488 152 2HB LYS 21 2HB LYS 21 -0.423 -0.288 -0.288 153 1HG LYS 21 1HG LYS 21 2.403 -1.541 -1.541 154 2HG LYS 21 2HG LYS 21 1.011 -2.510 -2.510 155 1HD LYS 21 1HD LYS 21 0.747 -0.864 -0.864 156 2HD LYS 21 2HD LYS 21 1.932 -2.184 -2.184 157 1HE LYS 21 1HE LYS 21 -0.489 -3.170 -3.170 158 2HE LYS 21 2HE LYS 21 -0.984 -2.424 -2.424 159 1HZ LYS 21 2HZ LYS 21 1.310 -4.302 -4.302 160 2HZ LYS 21 3HZ LYS 21 -0.271 -4.810 -4.810 161 3HZ LYS 21 1HZ LYS 21 0.479 -3.783 -3.783 162 H ALA 22 H ALA 22 1.252 0.964 0.964 163 HA ALA 22 HA ALA 22 3.990 -0.275 -0.275 164 1HB ALA 22 2HB ALA 22 2.026 -1.085 -1.085 165 2HB ALA 22 3HB ALA 22 1.797 0.542 0.542 166 3HB ALA 22 1HB ALA 22 3.261 -0.393 -0.393 167 H ARG 23 H ARG 23 2.484 2.832 2.832 168 HA ARG 23 HA ARG 23 4.667 3.963 3.963 169 1HB ARG 23 1HB ARG 23 2.791 5.266 5.266 170 2HB ARG 23 2HB ARG 23 2.031 4.833 4.833 171 1HG ARG 23 1HG ARG 23 4.328 6.923 6.923 172 2HG ARG 23 2HG ARG 23 2.628 7.353 7.353 173 1HD ARG 23 1HD ARG 23 2.546 5.851 5.851 174 2HD ARG 23 2HD ARG 23 4.191 6.514 6.514 175 HE ARG 23 HE ARG 23 3.150 8.824 8.824 176 1HH1 ARG 23 2HH2 ARG 23 1.237 6.393 6.393 177 2HH1 ARG 23 1HH2 ARG 23 0.142 7.655 7.655 178 1HH2 ARG 23 1HH1 ARG 23 1.930 10.126 10.126 179 2HH2 ARG 23 2HH1 ARG 23 0.514 9.685 9.685 180 H GLU 24 H GLU 24 4.001 3.627 3.627 181 HA GLU 24 HA GLU 24 6.332 5.413 5.413 182 1HB GLU 24 1HB GLU 24 4.870 3.385 3.385 183 2HB GLU 24 2HB GLU 24 5.853 4.730 4.730 184 1HG GLU 24 1HG GLU 24 4.140 6.366 6.366 185 2HG GLU 24 2HG GLU 24 3.324 5.329 5.329 186 H LEU 25 H LEU 25 5.573 1.976 1.976 187 HA LEU 25 HA LEU 25 8.296 1.080 1.080 188 1HB LEU 25 1HB LEU 25 6.935 -0.785 -0.785 189 2HB LEU 25 2HB LEU 25 5.795 -0.120 -0.120 190 HG LEU 25 HG LEU 25 8.459 -1.237 -1.237 191 1HD1 LEU 25 2HD1 LEU 25 7.516 -2.980 -2.980 192 2HD1 LEU 25 3HD1 LEU 25 5.958 -2.932 -2.932 193 3HD1 LEU 25 1HD1 LEU 25 7.424 -3.510 -3.510 194 1HD2 LEU 25 2HD2 LEU 25 5.623 -1.090 -1.090 195 2HD2 LEU 25 3HD2 LEU 25 7.041 -0.113 -0.113 196 3HD2 LEU 25 1HD2 LEU 25 7.043 -1.851 -1.851 197 H ILE 26 H ILE 26 6.946 2.448 2.448 198 HA ILE 26 HA ILE 26 9.032 1.495 1.495 199 HB ILE 26 HB ILE 26 6.900 3.609 3.609 200 1HG1 ILE 26 1HG1 ILE 26 7.817 2.103 2.103 201 2HG1 ILE 26 2HG1 ILE 26 7.009 1.211 1.211 202 1HG2 ILE 26 2HG2 ILE 26 8.844 5.121 5.121 203 2HG2 ILE 26 3HG2 ILE 26 9.332 3.984 3.984 204 3HG2 ILE 26 1HG2 ILE 26 7.800 4.878 4.878 205 1HD1 ILE 26 2HD1 ILE 26 4.992 2.721 2.721 206 2HD1 ILE 26 3HD1 ILE 26 5.729 3.590 3.590 207 3HD1 ILE 26 1HD1 ILE 26 5.323 1.873 1.873 208 H SER 27 H SER 27 8.926 4.059 4.059 209 HA SER 27 HA SER 27 11.536 5.193 5.193 210 1HB SER 27 1HB SER 27 10.638 6.757 6.757 211 2HB SER 27 2HB SER 27 9.627 5.599 5.599 212 HG SER 27 HG SER 27 12.397 6.159 6.159 213 H ARG 28 H ARG 28 10.531 2.732 2.732 214 HA ARG 28 HA ARG 28 13.245 2.023 2.023 215 1HB ARG 28 1HB ARG 28 11.346 1.141 1.141 216 2HB ARG 28 2HB ARG 28 10.565 0.508 0.508 217 1HG ARG 28 1HG ARG 28 13.266 -0.751 -0.751 218 2HG ARG 28 2HG ARG 28 12.234 -0.918 -0.918 219 1HD ARG 28 1HD ARG 28 10.762 -2.369 -2.369 220 2HD ARG 28 2HD ARG 28 10.867 -1.498 -1.498 221 HE ARG 28 HE ARG 28 13.421 -2.502 -2.502 222 1HH1 ARG 28 2HH2 ARG 28 10.402 -4.120 -4.120 223 2HH1 ARG 28 1HH2 ARG 28 11.089 -5.752 -5.752 224 1HH2 ARG 28 1HH1 ARG 28 14.093 -4.299 -4.299 225 2HH2 ARG 28 2HH1 ARG 28 13.095 -5.857 -5.857 226 H ILE 29 H ILE 29 11.555 1.538 1.538 227 HA ILE 29 HA ILE 29 13.241 -0.857 -0.857 228 HB ILE 29 HB ILE 29 10.855 0.557 0.557 229 1HG1 ILE 29 1HG1 ILE 29 9.838 -1.313 -1.313 230 2HG1 ILE 29 2HG1 ILE 29 10.536 -2.151 -2.151 231 1HG2 ILE 29 2HG2 ILE 29 12.418 0.504 0.504 232 2HG2 ILE 29 3HG2 ILE 29 12.695 -1.237 -1.237 233 3HG2 ILE 29 1HG2 ILE 29 11.100 -0.616 -0.616 234 1HD1 ILE 29 2HD1 ILE 29 12.534 -2.876 -2.876 235 2HD1 ILE 29 3HD1 ILE 29 11.809 -2.133 -2.133 236 3HD1 ILE 29 1HD1 ILE 29 10.989 -3.480 -3.480 237 H LYS 30 H LYS 30 13.038 2.546 2.546 238 HA LYS 30 HA LYS 30 14.807 2.536 2.536 239 1HB LYS 30 1HB LYS 30 14.968 4.989 4.989 240 2HB LYS 30 2HB LYS 30 13.305 4.470 4.470 241 1HG LYS 30 1HG LYS 30 13.822 6.037 6.037 242 2HG LYS 30 2HG LYS 30 13.720 4.437 4.437 243 1HD LYS 30 1HD LYS 30 15.616 5.645 5.645 244 2HD LYS 30 2HD LYS 30 16.283 4.348 4.348 245 1HE LYS 30 1HE LYS 30 16.485 6.004 6.004 246 2HE LYS 30 2HE LYS 30 15.939 7.308 7.308 247 1HZ LYS 30 2HZ LYS 30 17.827 6.391 6.391 248 2HZ LYS 30 3HZ LYS 30 18.446 5.784 5.784 249 3HZ LYS 30 1HZ LYS 30 18.178 7.436 7.436 250 H GLN 31 H GLN 31 15.358 2.535 2.535 251 HA GLN 31 HA GLN 31 18.313 3.012 3.012 252 1HB GLN 31 1HB GLN 31 16.487 3.664 3.664 253 2HB GLN 31 2HB GLN 31 17.260 2.239 2.239 254 1HG GLN 31 1HG GLN 31 19.569 3.515 3.515 255 2HG GLN 31 2HG GLN 31 18.576 4.939 4.939 256 1HE2 GLN 31 2HE2 GLN 31 19.957 4.226 4.226 257 2HE2 GLN 31 1HE2 GLN 31 20.699 3.816 3.816 258 H SER 32 H SER 32 17.571 0.806 0.806 259 HA SER 32 HA SER 32 19.346 -1.196 -1.196 260 1HB SER 32 1HB SER 32 17.156 -1.465 -1.465 261 2HB SER 32 2HB SER 32 16.366 -2.035 -2.035 262 HG SER 32 HG SER 32 18.658 -3.185 -3.185 263 H GLU 33 H GLU 33 19.191 0.194 0.194 264 HA GLU 33 HA GLU 33 18.609 -2.128 -2.128 265 1HB GLU 33 1HB GLU 33 17.469 0.602 0.602 266 2HB GLU 33 2HB GLU 33 18.287 0.420 0.420 267 1HG GLU 33 1HG GLU 33 16.725 -1.967 -1.967 268 2HG GLU 33 2HG GLU 33 15.695 -0.804 -0.804 269 H LEU 34 H LEU 34 21.083 -1.206 -1.206 270 HA LEU 34 HA LEU 34 22.677 -0.190 -0.190 271 1HB LEU 34 1HB LEU 34 24.670 -0.515 -0.515 272 2HB LEU 34 2HB LEU 34 23.435 0.480 0.480 273 HG LEU 34 HG LEU 34 23.337 -2.464 -2.464 274 1HD1 LEU 34 2HD1 LEU 34 25.811 -2.010 -2.010 275 2HD1 LEU 34 3HD1 LEU 34 25.575 -0.616 -0.616 276 3HD1 LEU 34 1HD1 LEU 34 25.212 -2.264 -2.264 277 1HD2 LEU 34 2HD2 LEU 34 23.068 0.124 0.124 278 2HD2 LEU 34 3HD2 LEU 34 21.745 -0.928 -0.928 279 3HD2 LEU 34 1HD2 LEU 34 22.892 -1.535 -1.535 280 H SER 35 H SER 35 21.914 -3.228 -3.228 281 HA SER 35 HA SER 35 22.745 -5.414 -5.414 282 1HB SER 35 1HB SER 35 23.152 -4.682 -4.682 283 2HB SER 35 2HB SER 35 22.532 -6.182 -6.182 284 HG SER 35 HG SER 35 21.024 -4.573 -4.573 285 H ALA 36 H ALA 36 24.574 -3.399 -3.399 286 HA ALA 36 HA ALA 36 27.009 -3.830 -3.830 287 1HB ALA 36 2HB ALA 36 26.470 -1.517 -1.517 288 2HB ALA 36 3HB ALA 36 26.572 -2.077 -2.077 289 3HB ALA 36 1HB ALA 36 28.028 -2.049 -2.049 290 H LYS 37 H LYS 37 26.362 -3.967 -3.967 291 HA LYS 37 HA LYS 37 28.331 -6.295 -6.295 292 1HB LYS 37 1HB LYS 37 28.060 -4.120 -4.120 293 2HB LYS 37 2HB LYS 37 26.904 -5.188 -5.188 294 1HG LYS 37 1HG LYS 37 28.579 -6.660 -6.660 295 2HG LYS 37 2HG LYS 37 29.555 -6.492 -6.492 296 1HD LYS 37 1HD LYS 37 30.843 -5.535 -5.535 297 2HD LYS 37 2HD LYS 37 30.188 -4.121 -4.121 298 1HE LYS 37 1HE LYS 37 28.189 -4.120 -4.120 299 2HE LYS 37 2HE LYS 37 28.999 -5.394 -5.394 300 1HZ LYS 37 2HZ LYS 37 31.005 -3.674 -3.674 301 2HZ LYS 37 3HZ LYS 37 29.721 -2.589 -2.589 302 3HZ LYS 37 1HZ LYS 37 29.898 -3.630 -3.630 303 H MET 38 H MET 38 24.974 -5.424 -5.424 304 HA MET 38 HA MET 38 24.317 -8.169 -8.169 305 1HB MET 38 1HB MET 38 22.874 -6.657 -6.657 306 2HB MET 38 2HB MET 38 22.960 -5.497 -5.497 307 1HG MET 38 1HG MET 38 20.998 -6.238 -6.238 308 2HG MET 38 2HG MET 38 21.422 -7.947 -7.947 309 1HE MET 38 1HE MET 38 19.903 -9.090 -9.090 310 2HE MET 38 3HE MET 38 20.235 -9.415 -9.415 311 3HE MET 38 2HE MET 38 18.633 -8.797 -8.797 Start of MODEL 9 1 1H THR 1 2H THR 1 -12.346 -11.964 -11.964 2 2H THR 1 3H THR 1 -11.303 -10.927 -10.927 3 3H THR 1 1H THR 1 -11.278 -12.575 -12.575 4 HA THR 1 HA THR 1 -13.080 -12.558 -12.558 5 HB THR 1 HB THR 1 -11.279 -10.415 -10.415 6 HG1 THR 1 HG1 THR 1 -12.139 -10.497 -10.497 7 1HG2 THR 1 3HG2 THR 1 -14.153 -9.308 -9.308 8 2HG2 THR 1 1HG2 THR 1 -12.660 -8.567 -8.567 9 3HG2 THR 1 2HG2 THR 1 -12.938 -8.630 -8.630 10 HA PRO 2 HA PRO 2 -17.082 -11.234 -11.234 11 1HB PRO 2 1HB PRO 2 -17.252 -9.751 -9.751 12 2HB PRO 2 2HB PRO 2 -18.460 -10.965 -10.965 13 1HG PRO 2 1HG PRO 2 -16.693 -11.727 -11.727 14 2HG PRO 2 2HG PRO 2 -17.140 -12.763 -12.763 15 1HD PRO 2 1HD PRO 2 -14.819 -10.855 -10.855 16 2HD PRO 2 2HD PRO 2 -14.715 -12.581 -12.581 17 H ASP 3 H ASP 3 -18.692 -9.216 -9.216 18 HA ASP 3 HA ASP 3 -17.882 -7.061 -7.061 19 1HB ASP 3 1HB ASP 3 -20.239 -7.539 -7.539 20 2HB ASP 3 2HB ASP 3 -19.603 -6.585 -6.585 21 H VAL 4 H VAL 4 -16.004 -6.249 -6.249 22 HA VAL 4 HA VAL 4 -14.978 -5.198 -5.198 23 HB VAL 4 HB VAL 4 -13.680 -6.782 -6.782 24 1HG1 VAL 4 1HG2 VAL 4 -12.794 -3.987 -3.987 25 2HG1 VAL 4 2HG2 VAL 4 -11.990 -5.531 -5.531 26 3HG1 VAL 4 3HG2 VAL 4 -13.617 -5.237 -5.237 27 1HG2 VAL 4 2HG1 VAL 4 -12.679 -6.056 -6.056 28 2HG2 VAL 4 3HG1 VAL 4 -11.478 -6.086 -6.086 29 3HG2 VAL 4 1HG1 VAL 4 -12.144 -4.529 -4.529 30 H SER 5 H SER 5 -17.081 -3.924 -3.924 31 HA SER 5 HA SER 5 -15.603 -1.370 -1.370 32 1HB SER 5 1HB SER 5 -17.128 -2.699 -2.699 33 2HB SER 5 2HB SER 5 -18.487 -1.990 -1.990 34 HG SER 5 HG SER 5 -16.377 -0.275 -0.275 35 H SER 6 H SER 6 -18.425 -2.693 -2.693 36 HA SER 6 HA SER 6 -18.435 -0.117 -0.117 37 1HB SER 6 1HB SER 6 -20.628 -2.171 -2.171 38 2HB SER 6 2HB SER 6 -20.773 -1.169 -1.169 39 HG SER 6 HG SER 6 -20.740 0.669 0.669 40 H ALA 7 H ALA 7 -16.475 -2.111 -2.111 41 HA ALA 7 HA ALA 7 -17.189 -3.174 -3.174 42 1HB ALA 7 2HB ALA 7 -16.388 -4.900 -4.900 43 2HB ALA 7 3HB ALA 7 -14.894 -3.972 -3.972 44 3HB ALA 7 1HB ALA 7 -15.197 -4.731 -4.731 45 H LEU 8 H LEU 8 -15.238 -0.947 -0.947 46 HA LEU 8 HA LEU 8 -13.443 -0.314 -0.314 47 1HB LEU 8 1HB LEU 8 -13.315 0.394 0.394 48 2HB LEU 8 2HB LEU 8 -14.363 1.719 1.719 49 HG LEU 8 HG LEU 8 -11.627 1.842 1.842 50 1HD1 LEU 8 2HD1 LEU 8 -13.224 3.775 3.775 51 2HD1 LEU 8 3HD1 LEU 8 -13.460 3.469 3.469 52 3HD1 LEU 8 1HD1 LEU 8 -11.869 3.981 3.981 53 1HD2 LEU 8 2HD2 LEU 8 -12.314 1.287 1.287 54 2HD2 LEU 8 3HD2 LEU 8 -11.221 0.339 0.339 55 3HD2 LEU 8 1HD2 LEU 8 -10.778 1.987 1.987 56 H ASP 9 H ASP 9 -16.669 0.618 0.618 57 HA ASP 9 HA ASP 9 -17.034 2.809 2.809 58 1HB ASP 9 1HB ASP 9 -18.878 2.023 2.023 59 2HB ASP 9 2HB ASP 9 -18.966 0.489 0.489 60 H LYS 10 H LYS 10 -17.085 -0.627 -0.627 61 HA LYS 10 HA LYS 10 -17.695 -0.199 -0.199 62 1HB LYS 10 1HB LYS 10 -16.659 -2.535 -2.535 63 2HB LYS 10 2HB LYS 10 -16.504 -2.654 -2.654 64 1HG LYS 10 1HG LYS 10 -19.187 -2.076 -2.076 65 2HG LYS 10 2HG LYS 10 -18.652 -3.688 -3.688 66 1HD LYS 10 1HD LYS 10 -18.512 -1.934 -1.934 67 2HD LYS 10 2HD LYS 10 -20.061 -1.637 -1.637 68 1HE LYS 10 1HE LYS 10 -20.638 -4.058 -4.058 69 2HE LYS 10 2HE LYS 10 -19.031 -4.507 -4.507 70 1HZ LYS 10 3HZ LYS 10 -19.565 -2.946 -2.946 71 2HZ LYS 10 1HZ LYS 10 -21.166 -3.063 -3.063 72 3HZ LYS 10 2HZ LYS 10 -20.322 -4.446 -4.446 73 H LEU 11 H LEU 11 -14.795 -0.350 -0.350 74 HA LEU 11 HA LEU 11 -13.204 0.210 0.210 75 1HB LEU 11 1HB LEU 11 -12.460 -0.912 -0.912 76 2HB LEU 11 2HB LEU 11 -11.219 -0.105 -0.105 77 HG LEU 11 HG LEU 11 -10.772 -2.208 -2.208 78 1HD1 LEU 11 2HD1 LEU 11 -11.598 -1.046 -1.046 79 2HD1 LEU 11 3HD1 LEU 11 -13.243 -1.670 -1.670 80 3HD1 LEU 11 1HD1 LEU 11 -11.908 -2.789 -2.789 81 1HD2 LEU 11 2HD2 LEU 11 -13.724 -3.027 -3.027 82 2HD2 LEU 11 3HD2 LEU 11 -12.327 -3.397 -3.397 83 3HD2 LEU 11 1HD2 LEU 11 -12.436 -4.129 -4.129 84 H LYS 12 H LYS 12 -14.931 2.104 2.104 85 HA LYS 12 HA LYS 12 -12.974 4.198 4.198 86 1HB LYS 12 1HB LYS 12 -15.387 4.070 4.070 87 2HB LYS 12 2HB LYS 12 -15.970 4.438 4.438 88 1HG LYS 12 1HG LYS 12 -15.917 6.652 6.652 89 2HG LYS 12 2HG LYS 12 -14.187 6.565 6.565 90 1HD LYS 12 1HD LYS 12 -14.694 5.524 5.524 91 2HD LYS 12 2HD LYS 12 -15.634 7.017 7.017 92 1HE LYS 12 1HE LYS 12 -13.720 8.380 8.380 93 2HE LYS 12 2HE LYS 12 -12.762 7.060 7.060 94 1HZ LYS 12 1HZ LYS 12 -13.605 6.951 6.951 95 2HZ LYS 12 2HZ LYS 12 -12.252 7.835 7.835 96 3HZ LYS 12 3HZ LYS 12 -12.316 6.179 6.179 97 H GLU 13 H GLU 13 -11.791 3.553 3.553 98 HA GLU 13 HA GLU 13 -11.845 5.576 5.576 99 1HB GLU 13 1HB GLU 13 -14.258 4.801 4.801 100 2HB GLU 13 2HB GLU 13 -13.674 3.217 3.217 101 1HG GLU 13 1HG GLU 13 -13.874 4.028 4.028 102 2HG GLU 13 2HG GLU 13 -12.289 4.706 4.706 103 H PHE 14 H PHE 14 -12.227 2.261 2.261 104 HA PHE 14 HA PHE 14 -9.706 1.743 1.743 105 1HB PHE 14 1HB PHE 14 -11.036 -0.193 -0.193 106 2HB PHE 14 2HB PHE 14 -11.667 0.013 0.013 107 HD1 PHE 14 HD1 PHE 14 -9.884 -0.415 -0.415 108 HD2 PHE 14 HD2 PHE 14 -9.533 -1.973 -1.973 109 HE1 PHE 14 HE1 PHE 14 -8.502 -2.265 -2.265 110 HE2 PHE 14 HE2 PHE 14 -8.172 -3.841 -3.841 111 HZ PHE 14 HZ PHE 14 -7.655 -3.992 -3.992 112 H GLY 15 H GLY 15 -10.206 2.361 2.361 113 1HA GLY 15 1HA GLY 15 -7.496 1.121 1.121 114 2HA GLY 15 2HA GLY 15 -8.667 1.750 1.750 115 H ASN 16 H ASN 16 -9.231 4.205 4.205 116 HA ASN 16 HA ASN 16 -7.135 5.950 5.950 117 1HB ASN 16 1HB ASN 16 -9.227 7.012 7.012 118 2HB ASN 16 2HB ASN 16 -9.400 6.217 6.217 119 1HD2 ASN 16 1HD2 ASN 16 -8.554 9.457 9.457 120 2HD2 ASN 16 2HD2 ASN 16 -9.884 8.196 8.196 121 H THR 17 H THR 17 -7.501 4.292 4.292 122 HA THR 17 HA THR 17 -5.440 5.896 5.896 123 HB THR 17 HB THR 17 -6.592 3.094 3.094 124 HG1 THR 17 HG1 THR 17 -7.748 4.259 4.259 125 1HG2 THR 17 3HG2 THR 17 -4.970 4.905 4.905 126 2HG2 THR 17 1HG2 THR 17 -5.832 3.414 3.414 127 3HG2 THR 17 2HG2 THR 17 -4.435 3.322 3.322 128 H LEU 18 H LEU 18 -5.412 2.960 2.960 129 HA LEU 18 HA LEU 18 -2.637 2.223 2.223 130 1HB LEU 18 1HB LEU 18 -3.973 2.023 2.023 131 2HB LEU 18 2HB LEU 18 -2.731 0.982 0.982 132 HG LEU 18 HG LEU 18 -5.722 1.017 1.017 133 1HD1 LEU 18 2HD1 LEU 18 -4.860 -0.416 -0.416 134 2HD1 LEU 18 3HD1 LEU 18 -3.748 -1.247 -1.247 135 3HD1 LEU 18 1HD1 LEU 18 -5.509 -1.415 -1.415 136 1HD2 LEU 18 2HD2 LEU 18 -3.575 -0.353 -0.353 137 2HD2 LEU 18 3HD2 LEU 18 -4.715 0.923 0.923 138 3HD2 LEU 18 1HD2 LEU 18 -5.328 -0.681 -0.681 139 H GLU 19 H GLU 19 -4.056 4.657 4.657 140 HA GLU 19 HA GLU 19 -1.294 5.196 5.196 141 1HB GLU 19 1HB GLU 19 -3.653 4.983 4.983 142 2HB GLU 19 2HB GLU 19 -3.915 6.627 6.627 143 1HG GLU 19 1HG GLU 19 -2.107 7.500 7.500 144 2HG GLU 19 2HG GLU 19 -1.362 5.935 5.935 145 H ASP 20 H ASP 20 -2.035 5.851 5.851 146 HA ASP 20 HA ASP 20 -0.953 8.676 8.676 147 1HB ASP 20 1HB ASP 20 -3.558 8.102 8.102 148 2HB ASP 20 2HB ASP 20 -2.562 8.282 8.282 149 H LYS 21 H LYS 21 -1.392 5.875 5.875 150 HA LYS 21 HA LYS 21 0.960 6.763 6.763 151 1HB LYS 21 1HB LYS 21 -0.001 5.435 5.435 152 2HB LYS 21 2HB LYS 21 -1.385 5.304 5.304 153 1HG LYS 21 1HG LYS 21 0.502 3.299 3.299 154 2HG LYS 21 2HG LYS 21 0.562 3.221 3.221 155 1HD LYS 21 1HD LYS 21 -2.179 3.264 3.264 156 2HD LYS 21 2HD LYS 21 -1.661 2.566 2.566 157 1HE LYS 21 1HE LYS 21 -0.083 1.327 1.327 158 2HE LYS 21 2HE LYS 21 -1.801 1.197 1.197 159 1HZ LYS 21 2HZ LYS 21 -2.039 0.519 0.519 160 2HZ LYS 21 3HZ LYS 21 -0.397 0.168 0.168 161 3HZ LYS 21 1HZ LYS 21 -1.489 -0.601 -0.601 162 H ALA 22 H ALA 22 0.239 4.549 4.549 163 HA ALA 22 HA ALA 22 2.869 3.166 3.166 164 1HB ALA 22 2HB ALA 22 0.866 2.152 2.152 165 2HB ALA 22 3HB ALA 22 0.864 3.463 3.463 166 3HB ALA 22 1HB ALA 22 2.212 2.302 2.302 167 H ARG 23 H ARG 23 1.934 6.271 6.271 168 HA ARG 23 HA ARG 23 4.114 6.782 6.782 169 1HB ARG 23 1HB ARG 23 2.209 8.360 8.360 170 2HB ARG 23 2HB ARG 23 3.769 9.156 9.156 171 1HG ARG 23 1HG ARG 23 2.193 9.941 9.941 172 2HG ARG 23 2HG ARG 23 3.654 9.227 9.227 173 1HD ARG 23 1HD ARG 23 1.340 7.312 7.312 174 2HD ARG 23 2HD ARG 23 1.096 8.561 8.561 175 HE ARG 23 HE ARG 23 3.754 7.206 7.206 176 1HH1 ARG 23 2HH2 ARG 23 0.482 7.113 7.113 177 2HH1 ARG 23 1HH2 ARG 23 0.945 6.093 6.093 178 1HH2 ARG 23 1HH1 ARG 23 4.179 6.106 6.106 179 2HH2 ARG 23 2HH1 ARG 23 2.953 5.543 5.543 180 H GLU 24 H GLU 24 3.985 6.745 6.745 181 HA GLU 24 HA GLU 24 6.763 7.888 7.888 182 1HB GLU 24 1HB GLU 24 5.083 6.651 6.651 183 2HB GLU 24 2HB GLU 24 6.401 7.784 7.784 184 1HG GLU 24 1HG GLU 24 5.058 9.674 9.674 185 2HG GLU 24 2HG GLU 24 3.925 8.716 8.716 186 H LEU 25 H LEU 25 5.150 4.811 4.811 187 HA LEU 25 HA LEU 25 7.642 3.405 3.405 188 1HB LEU 25 1HB LEU 25 5.866 2.078 2.078 189 2HB LEU 25 2HB LEU 25 4.789 2.707 2.707 190 HG LEU 25 HG LEU 25 6.954 0.703 0.703 191 1HD1 LEU 25 2HD1 LEU 25 5.826 -0.274 -0.274 192 2HD1 LEU 25 3HD1 LEU 25 4.228 -0.036 -0.036 193 3HD1 LEU 25 1HD1 LEU 25 5.394 -1.175 -1.175 194 1HD2 LEU 25 2HD2 LEU 25 4.101 1.270 1.270 195 2HD2 LEU 25 3HD2 LEU 25 5.643 1.685 1.685 196 3HD2 LEU 25 1HD2 LEU 25 5.187 -0.012 -0.012 197 H ILE 26 H ILE 26 6.237 4.320 4.320 198 HA ILE 26 HA ILE 26 7.719 2.397 2.397 199 HB ILE 26 HB ILE 26 6.199 4.946 4.946 200 1HG1 ILE 26 1HG1 ILE 26 6.290 2.595 2.595 201 2HG1 ILE 26 2HG1 ILE 26 5.450 2.415 2.415 202 1HG2 ILE 26 2HG2 ILE 26 8.329 5.609 5.609 203 2HG2 ILE 26 3HG2 ILE 26 8.294 4.083 4.083 204 3HG2 ILE 26 1HG2 ILE 26 7.043 5.324 5.324 205 1HD1 ILE 26 2HD1 ILE 26 3.952 4.382 4.382 206 2HD1 ILE 26 3HD1 ILE 26 4.703 4.535 4.535 207 3HD1 ILE 26 1HD1 ILE 26 3.808 3.066 3.066 208 H SER 27 H SER 27 8.569 5.449 5.449 209 HA SER 27 HA SER 27 11.173 5.687 5.687 210 1HB SER 27 1HB SER 27 10.887 7.656 7.656 211 2HB SER 27 2HB SER 27 9.823 6.952 6.952 212 HG SER 27 HG SER 27 11.619 7.475 7.475 213 H ARG 28 H ARG 28 10.060 3.894 3.894 214 HA ARG 28 HA ARG 28 12.772 2.850 2.850 215 1HB ARG 28 1HB ARG 28 10.980 2.918 2.918 216 2HB ARG 28 2HB ARG 28 9.907 1.940 1.940 217 1HG ARG 28 1HG ARG 28 12.189 0.241 0.241 218 2HG ARG 28 2HG ARG 28 12.162 1.106 1.106 219 1HD ARG 28 1HD ARG 28 9.776 0.399 0.399 220 2HD ARG 28 2HD ARG 28 9.739 -0.386 -0.386 221 HE ARG 28 HE ARG 28 11.054 -2.173 -2.173 222 1HH1 ARG 28 2HH2 ARG 28 11.177 0.420 0.420 223 2HH1 ARG 28 1HH2 ARG 28 12.028 -0.631 -0.631 224 1HH2 ARG 28 1HH1 ARG 28 11.972 -3.249 -3.249 225 2HH2 ARG 28 2HH1 ARG 28 12.464 -2.626 -2.626 226 H ILE 29 H ILE 29 10.333 2.037 2.037 227 HA ILE 29 HA ILE 29 11.202 -0.831 -0.831 228 HB ILE 29 HB ILE 29 9.080 0.875 0.875 229 1HG1 ILE 29 1HG1 ILE 29 7.791 -0.249 -0.249 230 2HG1 ILE 29 2HG1 ILE 29 7.921 -1.623 -1.623 231 1HG2 ILE 29 2HG2 ILE 29 10.113 -0.259 -0.259 232 2HG2 ILE 29 3HG2 ILE 29 9.951 -1.846 -1.846 233 3HG2 ILE 29 1HG2 ILE 29 8.523 -0.906 -0.906 234 1HD1 ILE 29 2HD1 ILE 29 9.889 -2.545 -2.545 235 2HD1 ILE 29 3HD1 ILE 29 9.725 -1.225 -1.225 236 3HD1 ILE 29 1HD1 ILE 29 8.415 -2.400 -2.400 237 H LYS 30 H LYS 30 11.817 2.155 2.155 238 HA LYS 30 HA LYS 30 13.017 1.027 1.027 239 1HB LYS 30 1HB LYS 30 13.270 3.257 3.257 240 2HB LYS 30 2HB LYS 30 12.610 3.628 3.628 241 1HG LYS 30 1HG LYS 30 15.552 2.922 2.922 242 2HG LYS 30 2HG LYS 30 15.184 4.333 4.333 243 1HD LYS 30 1HD LYS 30 14.247 3.969 3.969 244 2HD LYS 30 2HD LYS 30 15.801 4.707 4.707 245 1HE LYS 30 1HE LYS 30 13.455 5.820 5.820 246 2HE LYS 30 2HE LYS 30 13.373 6.143 6.143 247 1HZ LYS 30 2HZ LYS 30 15.933 6.550 6.550 248 2HZ LYS 30 3HZ LYS 30 14.717 7.705 7.705 249 3HZ LYS 30 1HZ LYS 30 15.338 7.300 7.300 250 H GLN 31 H GLN 31 14.247 1.543 1.543 251 HA GLN 31 HA GLN 31 17.050 0.896 0.896 252 1HB GLN 31 1HB GLN 31 15.979 2.657 2.657 253 2HB GLN 31 2HB GLN 31 16.465 1.313 1.313 254 1HG GLN 31 1HG GLN 31 18.836 1.587 1.587 255 2HG GLN 31 2HG GLN 31 18.230 3.199 3.199 256 1HE2 GLN 31 2HE2 GLN 31 19.994 3.985 3.985 257 2HE2 GLN 31 1HE2 GLN 31 19.833 4.183 4.183 258 H SER 32 H SER 32 15.190 -1.185 -1.185 259 HA SER 32 HA SER 32 17.002 -3.235 -3.235 260 1HB SER 32 1HB SER 32 14.861 -2.424 -2.424 261 2HB SER 32 2HB SER 32 14.828 -4.150 -4.150 262 HG SER 32 HG SER 32 17.387 -3.489 -3.489 263 H GLU 33 H GLU 33 15.619 -2.465 -2.465 264 HA GLU 33 HA GLU 33 14.322 -5.199 -5.199 265 1HB GLU 33 1HB GLU 33 13.228 -2.463 -2.463 266 2HB GLU 33 2HB GLU 33 13.287 -3.240 -3.240 267 1HG GLU 33 1HG GLU 33 12.103 -5.221 -5.221 268 2HG GLU 33 2HG GLU 33 11.414 -3.711 -3.711 269 H LEU 34 H LEU 34 17.061 -4.176 -4.176 270 HA LEU 34 HA LEU 34 17.235 -4.702 -4.702 271 1HB LEU 34 1HB LEU 34 19.744 -4.020 -4.020 272 2HB LEU 34 2HB LEU 34 18.529 -2.758 -2.758 273 HG LEU 34 HG LEU 34 19.614 -3.951 -3.951 274 1HD1 LEU 34 2HD1 LEU 34 21.491 -2.953 -2.953 275 2HD1 LEU 34 3HD1 LEU 34 20.589 -1.427 -1.427 276 3HD1 LEU 34 1HD1 LEU 34 21.142 -1.970 -1.970 277 1HD2 LEU 34 2HD2 LEU 34 18.068 -1.325 -1.325 278 2HD2 LEU 34 3HD2 LEU 34 17.473 -2.737 -2.737 279 3HD2 LEU 34 1HD2 LEU 34 18.788 -1.764 -1.764 280 H SER 35 H SER 35 18.688 -5.607 -5.607 281 HA SER 35 HA SER 35 19.765 -7.628 -7.628 282 1HB SER 35 1HB SER 35 17.532 -8.533 -8.533 283 2HB SER 35 2HB SER 35 18.646 -9.116 -9.116 284 HG SER 35 HG SER 35 19.127 -10.682 -10.682 285 H ALA 36 H ALA 36 20.767 -5.757 -5.757 286 HA ALA 36 HA ALA 36 23.105 -5.536 -5.536 287 1HB ALA 36 2HB ALA 36 23.712 -7.388 -7.388 288 2HB ALA 36 3HB ALA 36 23.257 -8.612 -8.612 289 3HB ALA 36 1HB ALA 36 24.655 -7.548 -7.548 290 H LYS 37 H LYS 37 21.134 -8.064 -8.064 291 HA LYS 37 HA LYS 37 21.301 -6.983 -6.983 292 1HB LYS 37 1HB LYS 37 23.812 -8.093 -8.093 293 2HB LYS 37 2HB LYS 37 23.041 -9.455 -9.455 294 1HG LYS 37 1HG LYS 37 22.788 -6.774 -6.774 295 2HG LYS 37 2HG LYS 37 24.419 -7.430 -7.430 296 1HD LYS 37 1HD LYS 37 23.100 -9.664 -9.664 297 2HD LYS 37 2HD LYS 37 21.962 -8.433 -8.433 298 1HE LYS 37 1HE LYS 37 23.567 -7.375 -7.375 299 2HE LYS 37 2HE LYS 37 24.956 -7.929 -7.929 300 1HZ LYS 37 1HZ LYS 37 23.268 -10.000 -10.000 301 2HZ LYS 37 2HZ LYS 37 24.239 -9.096 -9.096 302 3HZ LYS 37 3HZ LYS 37 24.933 -9.961 -9.961 303 H MET 38 H MET 38 19.469 -8.160 -8.160 304 HA MET 38 HA MET 38 18.782 -10.824 -10.824 305 1HB MET 38 1HB MET 38 17.902 -10.838 -10.838 306 2HB MET 38 2HB MET 38 17.853 -9.086 -9.086 307 1HG MET 38 1HG MET 38 15.565 -9.554 -9.554 308 2HG MET 38 2HG MET 38 15.700 -9.302 -9.302 309 1HE MET 38 2HE MET 38 15.934 -11.459 -11.459 310 2HE MET 38 1HE MET 38 14.668 -12.682 -12.682 311 3HE MET 38 3HE MET 38 16.389 -13.062 -13.062 Start of MODEL 10 1 1H THR 1 2H THR 1 -9.677 -12.063 -12.063 2 2H THR 1 3H THR 1 -8.622 -10.754 -10.754 3 3H THR 1 1H THR 1 -8.251 -12.161 -12.161 4 HA THR 1 HA THR 1 -9.707 -11.798 -11.798 5 HB THR 1 HB THR 1 -7.941 -9.737 -9.737 6 HG1 THR 1 HG1 THR 1 -8.378 -9.036 -9.036 7 1HG2 THR 1 3HG2 THR 1 -10.667 -8.335 -8.335 8 2HG2 THR 1 1HG2 THR 1 -9.072 -7.545 -7.545 9 3HG2 THR 1 2HG2 THR 1 -9.686 -8.175 -8.175 10 HA PRO 2 HA PRO 2 -13.977 -11.105 -11.105 11 1HB PRO 2 1HB PRO 2 -13.725 -9.039 -9.039 12 2HB PRO 2 2HB PRO 2 -14.923 -10.488 -10.488 13 1HG PRO 2 1HG PRO 2 -12.652 -10.617 -10.617 14 2HG PRO 2 2HG PRO 2 -13.296 -12.013 -12.013 15 1HD PRO 2 1HD PRO 2 -11.132 -9.807 -9.807 16 2HD PRO 2 2HD PRO 2 -10.946 -11.624 -11.624 17 H ASP 3 H ASP 3 -15.730 -9.289 -9.289 18 HA ASP 3 HA ASP 3 -15.350 -7.433 -7.433 19 1HB ASP 3 1HB ASP 3 -17.639 -8.035 -8.035 20 2HB ASP 3 2HB ASP 3 -17.234 -7.194 -7.194 21 H VAL 4 H VAL 4 -13.663 -6.275 -6.275 22 HA VAL 4 HA VAL 4 -12.875 -4.630 -4.630 23 HB VAL 4 HB VAL 4 -11.197 -6.137 -6.137 24 1HG1 VAL 4 1HG2 VAL 4 -11.231 -3.887 -3.887 25 2HG1 VAL 4 2HG2 VAL 4 -10.023 -5.190 -5.190 26 3HG1 VAL 4 3HG2 VAL 4 -11.689 -5.587 -5.587 27 1HG2 VAL 4 2HG1 VAL 4 -10.357 -4.331 -4.331 28 2HG2 VAL 4 3HG1 VAL 4 -9.262 -4.592 -4.592 29 3HG2 VAL 4 1HG1 VAL 4 -10.334 -3.168 -3.168 30 H SER 5 H SER 5 -15.200 -3.999 -3.999 31 HA SER 5 HA SER 5 -14.306 -1.242 -1.242 32 1HB SER 5 1HB SER 5 -16.675 -1.068 -1.068 33 2HB SER 5 2HB SER 5 -15.648 -2.254 -2.254 34 HG SER 5 HG SER 5 -17.700 -2.714 -2.714 35 H SER 6 H SER 6 -16.485 -2.988 -2.988 36 HA SER 6 HA SER 6 -16.455 -0.464 -0.464 37 1HB SER 6 1HB SER 6 -18.814 -0.993 -0.993 38 2HB SER 6 2HB SER 6 -18.743 -0.494 -0.494 39 HG SER 6 HG SER 6 -18.637 -3.246 -3.246 40 H ALA 7 H ALA 7 -14.736 -2.690 -2.690 41 HA ALA 7 HA ALA 7 -15.461 -4.068 -4.068 42 1HB ALA 7 2HB ALA 7 -14.322 -5.382 -5.382 43 2HB ALA 7 3HB ALA 7 -12.939 -4.262 -4.262 44 3HB ALA 7 1HB ALA 7 -13.267 -5.309 -5.309 45 H LEU 8 H LEU 8 -13.631 -1.410 -1.410 46 HA LEU 8 HA LEU 8 -12.087 -0.971 -0.971 47 1HB LEU 8 1HB LEU 8 -11.836 0.157 0.157 48 2HB LEU 8 2HB LEU 8 -13.065 1.273 1.273 49 HG LEU 8 HG LEU 8 -11.533 1.883 1.883 50 1HD1 LEU 8 2HD1 LEU 8 -10.117 -0.192 -0.192 51 2HD1 LEU 8 3HD1 LEU 8 -9.447 0.250 0.250 52 3HD1 LEU 8 1HD1 LEU 8 -9.113 1.260 1.260 53 1HD2 LEU 8 2HD2 LEU 8 -10.457 2.405 2.405 54 2HD2 LEU 8 3HD2 LEU 8 -11.632 3.398 3.398 55 3HD2 LEU 8 1HD2 LEU 8 -9.960 3.306 3.306 56 H ASP 9 H ASP 9 -15.307 -0.223 -0.223 57 HA ASP 9 HA ASP 9 -15.986 1.699 1.699 58 1HB ASP 9 1HB ASP 9 -17.577 1.101 1.101 59 2HB ASP 9 2HB ASP 9 -17.721 -0.534 -0.534 60 H LYS 10 H LYS 10 -15.767 -1.773 -1.773 61 HA LYS 10 HA LYS 10 -17.094 -2.080 -2.080 62 1HB LYS 10 1HB LYS 10 -14.839 -3.661 -3.661 63 2HB LYS 10 2HB LYS 10 -15.411 -4.143 -4.143 64 1HG LYS 10 1HG LYS 10 -17.288 -3.816 -3.816 65 2HG LYS 10 2HG LYS 10 -16.514 -5.339 -5.339 66 1HD LYS 10 1HD LYS 10 -18.430 -3.725 -3.725 67 2HD LYS 10 2HD LYS 10 -18.938 -5.051 -5.051 68 1HE LYS 10 1HE LYS 10 -16.991 -6.456 -6.456 69 2HE LYS 10 2HE LYS 10 -17.114 -5.224 -5.224 70 1HZ LYS 10 1HZ LYS 10 -19.530 -6.574 -6.574 71 2HZ LYS 10 2HZ LYS 10 -18.619 -7.226 -7.226 72 3HZ LYS 10 3HZ LYS 10 -19.350 -5.723 -5.723 73 H LEU 11 H LEU 11 -13.770 -1.300 -1.300 74 HA LEU 11 HA LEU 11 -13.096 -0.930 -0.930 75 1HB LEU 11 1HB LEU 11 -11.576 -0.685 -0.685 76 2HB LEU 11 2HB LEU 11 -10.941 0.170 0.170 77 HG LEU 11 HG LEU 11 -10.295 -1.780 -1.780 78 1HD1 LEU 11 2HD1 LEU 11 -12.556 -2.873 -2.873 79 2HD1 LEU 11 3HD1 LEU 11 -12.339 -3.414 -3.414 80 3HD1 LEU 11 1HD1 LEU 11 -11.289 -4.049 -4.049 81 1HD2 LEU 11 2HD2 LEU 11 -10.154 -2.585 -2.585 82 2HD2 LEU 11 3HD2 LEU 11 -8.931 -1.674 -1.674 83 3HD2 LEU 11 1HD2 LEU 11 -9.234 -3.370 -3.370 84 H LYS 12 H LYS 12 -12.323 1.292 1.292 85 HA LYS 12 HA LYS 12 -12.373 3.673 3.673 86 1HB LYS 12 1HB LYS 12 -14.832 3.346 3.346 87 2HB LYS 12 2HB LYS 12 -14.974 3.064 3.064 88 1HG LYS 12 1HG LYS 12 -15.696 5.353 5.353 89 2HG LYS 12 2HG LYS 12 -14.062 5.502 5.502 90 1HD LYS 12 1HD LYS 12 -14.046 5.403 5.403 91 2HD LYS 12 2HD LYS 12 -15.196 6.626 6.626 92 1HE LYS 12 1HE LYS 12 -12.908 6.904 6.904 93 2HE LYS 12 2HE LYS 12 -12.217 6.702 6.702 94 1HZ LYS 12 2HZ LYS 12 -14.543 8.445 8.445 95 2HZ LYS 12 3HZ LYS 12 -13.161 9.008 9.008 96 3HZ LYS 12 1HZ LYS 12 -13.107 8.615 8.615 97 H GLU 13 H GLU 13 -13.974 3.672 3.672 98 HA GLU 13 HA GLU 13 -12.051 5.207 5.207 99 1HB GLU 13 1HB GLU 13 -13.549 2.766 2.766 100 2HB GLU 13 2HB GLU 13 -12.948 4.129 4.129 101 1HG GLU 13 1HG GLU 13 -14.630 5.656 5.656 102 2HG GLU 13 2HG GLU 13 -15.234 4.288 4.288 103 H PHE 14 H PHE 14 -12.198 1.770 1.770 104 HA PHE 14 HA PHE 14 -9.715 1.566 1.566 105 1HB PHE 14 1HB PHE 14 -11.095 -0.383 -0.383 106 2HB PHE 14 2HB PHE 14 -11.338 -0.407 -0.407 107 HD1 PHE 14 HD1 PHE 14 -9.024 -0.885 -0.885 108 HD2 PHE 14 HD2 PHE 14 -9.783 -2.111 -2.111 109 HE1 PHE 14 HE1 PHE 14 -7.464 -2.765 -2.765 110 HE2 PHE 14 HE2 PHE 14 -8.216 -3.995 -3.995 111 HZ PHE 14 HZ PHE 14 -7.073 -4.340 -4.340 112 H GLY 15 H GLY 15 -9.950 2.084 2.084 113 1HA GLY 15 1HA GLY 15 -7.163 0.988 0.988 114 2HA GLY 15 2HA GLY 15 -8.200 1.792 1.792 115 H ASN 16 H ASN 16 -8.856 4.103 4.103 116 HA ASN 16 HA ASN 16 -6.708 5.905 5.905 117 1HB ASN 16 1HB ASN 16 -8.831 6.940 6.940 118 2HB ASN 16 2HB ASN 16 -9.222 5.951 5.951 119 1HD2 ASN 16 1HD2 ASN 16 -8.562 8.850 8.850 120 2HD2 ASN 16 2HD2 ASN 16 -9.802 7.604 7.604 121 H THR 17 H THR 17 -7.381 4.000 4.000 122 HA THR 17 HA THR 17 -5.596 5.530 5.530 123 HB THR 17 HB THR 17 -6.423 2.558 2.558 124 HG1 THR 17 HG1 THR 17 -8.099 3.387 3.387 125 1HG2 THR 17 3HG2 THR 17 -5.664 4.548 4.548 126 2HG2 THR 17 1HG2 THR 17 -6.280 2.894 2.894 127 3HG2 THR 17 2HG2 THR 17 -4.696 3.139 3.139 128 H LEU 18 H LEU 18 -5.143 2.563 2.563 129 HA LEU 18 HA LEU 18 -2.240 2.438 2.438 130 1HB LEU 18 1HB LEU 18 -2.179 0.448 0.448 131 2HB LEU 18 2HB LEU 18 -3.874 0.493 0.493 132 HG LEU 18 HG LEU 18 -3.618 1.864 1.864 133 1HD1 LEU 18 2HD1 LEU 18 -1.423 0.665 0.665 134 2HD1 LEU 18 3HD1 LEU 18 -2.219 -0.899 -0.899 135 3HD1 LEU 18 1HD1 LEU 18 -2.616 0.045 0.045 136 1HD2 LEU 18 2HD2 LEU 18 -4.821 -0.898 -0.898 137 2HD2 LEU 18 3HD2 LEU 18 -5.680 0.661 0.661 138 3HD2 LEU 18 1HD2 LEU 18 -5.076 -0.053 -0.053 139 H GLU 19 H GLU 19 -4.051 4.297 4.297 140 HA GLU 19 HA GLU 19 -1.527 4.930 4.930 141 1HB GLU 19 1HB GLU 19 -4.052 4.806 4.806 142 2HB GLU 19 2HB GLU 19 -4.236 6.389 6.389 143 1HG GLU 19 1HG GLU 19 -1.850 6.191 6.191 144 2HG GLU 19 2HG GLU 19 -3.360 5.836 5.836 145 H ASP 20 H ASP 20 -2.083 5.498 5.498 146 HA ASP 20 HA ASP 20 -0.950 8.315 8.315 147 1HB ASP 20 1HB ASP 20 -3.211 7.920 7.920 148 2HB ASP 20 2HB ASP 20 -2.165 7.197 7.197 149 H LYS 21 H LYS 21 -0.714 5.199 5.199 150 HA LYS 21 HA LYS 21 2.012 5.800 5.800 151 1HB LYS 21 1HB LYS 21 0.449 3.160 3.160 152 2HB LYS 21 2HB LYS 21 2.060 3.199 3.199 153 1HG LYS 21 1HG LYS 21 1.074 3.552 3.552 154 2HG LYS 21 2HG LYS 21 0.608 5.160 5.160 155 1HD LYS 21 1HD LYS 21 -1.245 3.666 3.666 156 2HD LYS 21 2HD LYS 21 -1.611 4.365 4.365 157 1HE LYS 21 1HE LYS 21 -1.735 2.283 2.283 158 2HE LYS 21 2HE LYS 21 -0.137 1.822 1.822 159 1HZ LYS 21 1HZ LYS 21 -1.516 1.693 1.693 160 2HZ LYS 21 2HZ LYS 21 -2.757 1.345 1.345 161 3HZ LYS 21 3HZ LYS 21 -1.368 0.397 0.397 162 H ALA 22 H ALA 22 0.674 4.058 4.058 163 HA ALA 22 HA ALA 22 3.079 3.248 3.248 164 1HB ALA 22 2HB ALA 22 0.743 2.869 2.869 165 2HB ALA 22 3HB ALA 22 0.581 4.601 4.601 166 3HB ALA 22 1HB ALA 22 1.762 3.601 3.601 167 H ARG 23 H ARG 23 1.848 6.469 6.469 168 HA ARG 23 HA ARG 23 4.221 7.620 7.620 169 1HB ARG 23 1HB ARG 23 1.816 8.758 8.758 170 2HB ARG 23 2HB ARG 23 3.206 9.795 9.795 171 1HG ARG 23 1HG ARG 23 2.122 10.328 10.328 172 2HG ARG 23 2HG ARG 23 2.823 8.825 8.825 173 1HD ARG 23 1HD ARG 23 0.781 7.651 7.651 174 2HD ARG 23 2HD ARG 23 0.191 8.602 8.602 175 HE ARG 23 HE ARG 23 0.200 9.537 9.537 176 1HH1 ARG 23 2HH2 ARG 23 -0.726 10.176 10.176 177 2HH1 ARG 23 1HH2 ARG 23 -1.880 11.523 11.523 178 1HH2 ARG 23 1HH1 ARG 23 -1.064 10.997 10.997 179 2HH2 ARG 23 2HH1 ARG 23 -2.063 11.979 11.979 180 H GLU 24 H GLU 24 6.027 8.274 8.274 181 HA GLU 24 HA GLU 24 7.719 8.721 8.721 182 1HB GLU 24 1HB GLU 24 5.959 7.643 7.643 183 2HB GLU 24 2HB GLU 24 7.357 8.697 8.697 184 1HG GLU 24 1HG GLU 24 6.132 10.651 10.651 185 2HG GLU 24 2HG GLU 24 4.928 9.782 9.782 186 H LEU 25 H LEU 25 5.753 5.810 5.810 187 HA LEU 25 HA LEU 25 8.292 4.198 4.198 188 1HB LEU 25 1HB LEU 25 6.645 2.891 2.891 189 2HB LEU 25 2HB LEU 25 5.358 3.619 3.619 190 HG LEU 25 HG LEU 25 7.240 1.570 1.570 191 1HD1 LEU 25 2HD1 LEU 25 6.368 0.549 0.549 192 2HD1 LEU 25 3HD1 LEU 25 4.695 0.931 0.931 193 3HD1 LEU 25 1HD1 LEU 25 5.654 -0.234 -0.234 194 1HD2 LEU 25 2HD2 LEU 25 4.305 2.381 2.381 195 2HD2 LEU 25 3HD2 LEU 25 5.733 2.745 2.745 196 3HD2 LEU 25 1HD2 LEU 25 5.191 1.072 1.072 197 H ILE 26 H ILE 26 6.338 5.387 5.387 198 HA ILE 26 HA ILE 26 7.458 3.667 3.667 199 HB ILE 26 HB ILE 26 5.899 6.210 6.210 200 1HG1 ILE 26 1HG1 ILE 26 5.732 4.289 4.289 201 2HG1 ILE 26 2HG1 ILE 26 5.188 3.735 3.735 202 1HG2 ILE 26 2HG2 ILE 26 7.823 7.164 7.164 203 2HG2 ILE 26 3HG2 ILE 26 7.689 5.817 5.817 204 3HG2 ILE 26 1HG2 ILE 26 6.395 7.024 7.024 205 1HD1 ILE 26 2HD1 ILE 26 3.551 5.642 5.642 206 2HD1 ILE 26 3HD1 ILE 26 3.994 6.181 6.181 207 3HD1 ILE 26 1HD1 ILE 26 3.246 4.593 4.593 208 H SER 27 H SER 27 8.669 6.459 6.459 209 HA SER 27 HA SER 27 10.970 6.853 6.853 210 1HB SER 27 1HB SER 27 11.290 8.654 8.654 211 2HB SER 27 2HB SER 27 9.972 8.129 8.129 212 HG SER 27 HG SER 27 12.738 7.861 7.861 213 H ARG 28 H ARG 28 10.518 5.015 5.015 214 HA ARG 28 HA ARG 28 13.190 3.796 3.796 215 1HB ARG 28 1HB ARG 28 11.719 3.701 3.701 216 2HB ARG 28 2HB ARG 28 10.460 2.860 2.860 217 1HG ARG 28 1HG ARG 28 12.550 1.022 1.022 218 2HG ARG 28 2HG ARG 28 13.061 1.788 1.788 219 1HD ARG 28 1HD ARG 28 10.639 1.342 1.342 220 2HD ARG 28 2HD ARG 28 10.389 0.348 0.348 221 HE ARG 28 HE ARG 28 11.947 -1.272 -1.272 222 1HH1 ARG 28 2HH2 ARG 28 12.040 1.512 1.512 223 2HH1 ARG 28 1HH2 ARG 28 13.031 0.626 0.626 224 1HH2 ARG 28 1HH1 ARG 28 13.015 -2.166 -2.166 225 2HH2 ARG 28 2HH1 ARG 28 13.565 -1.374 -1.374 226 H ILE 29 H ILE 29 10.335 3.235 3.235 227 HA ILE 29 HA ILE 29 11.083 0.398 0.398 228 HB ILE 29 HB ILE 29 8.810 2.257 2.257 229 1HG1 ILE 29 1HG1 ILE 29 7.763 0.978 0.978 230 2HG1 ILE 29 2HG1 ILE 29 7.677 -0.268 -0.268 231 1HG2 ILE 29 2HG2 ILE 29 9.447 1.355 1.355 232 2HG2 ILE 29 3HG2 ILE 29 9.382 -0.310 -0.310 233 3HG2 ILE 29 1HG2 ILE 29 7.917 0.688 0.688 234 1HD1 ILE 29 2HD1 ILE 29 9.808 -1.336 -1.336 235 2HD1 ILE 29 3HD1 ILE 29 9.879 -0.157 -0.157 236 3HD1 ILE 29 1HD1 ILE 29 8.525 -1.295 -1.295 237 H LYS 30 H LYS 30 11.455 3.528 3.528 238 HA LYS 30 HA LYS 30 12.249 2.636 2.636 239 1HB LYS 30 1HB LYS 30 12.703 5.124 5.124 240 2HB LYS 30 2HB LYS 30 13.795 4.913 4.913 241 1HG LYS 30 1HG LYS 30 11.459 6.241 6.241 242 2HG LYS 30 2HG LYS 30 12.096 5.249 5.249 243 1HD LYS 30 1HD LYS 30 10.493 3.485 3.485 244 2HD LYS 30 2HD LYS 30 9.606 5.021 5.021 245 1HE LYS 30 1HE LYS 30 10.783 3.844 3.844 246 2HE LYS 30 2HE LYS 30 9.182 3.352 3.352 247 1HZ LYS 30 1HZ LYS 30 9.909 6.216 6.216 248 2HZ LYS 30 2HZ LYS 30 9.298 5.337 5.337 249 3HZ LYS 30 3HZ LYS 30 8.379 5.525 5.525 250 H GLN 31 H GLN 31 13.941 2.749 2.749 251 HA GLN 31 HA GLN 31 16.562 2.172 2.172 252 1HB GLN 31 1HB GLN 31 15.831 3.648 3.648 253 2HB GLN 31 2HB GLN 31 16.383 2.148 2.148 254 1HG GLN 31 1HG GLN 31 18.589 2.516 2.516 255 2HG GLN 31 2HG GLN 31 18.019 4.162 4.162 256 1HE2 GLN 31 2HE2 GLN 31 20.243 4.547 4.547 257 2HE2 GLN 31 1HE2 GLN 31 20.035 4.713 4.713 258 H SER 32 H SER 32 14.707 0.201 0.201 259 HA SER 32 HA SER 32 16.209 -2.132 -2.132 260 1HB SER 32 1HB SER 32 15.024 -1.394 -1.394 261 2HB SER 32 2HB SER 32 13.506 -1.894 -1.894 262 HG SER 32 HG SER 32 15.697 -3.417 -3.417 263 H GLU 33 H GLU 33 15.476 -1.323 -1.323 264 HA GLU 33 HA GLU 33 13.169 -3.229 -3.229 265 1HB GLU 33 1HB GLU 33 13.534 -0.326 -0.326 266 2HB GLU 33 2HB GLU 33 13.409 -1.136 -1.136 267 1HG GLU 33 1HG GLU 33 11.215 -2.266 -2.266 268 2HG GLU 33 2HG GLU 33 11.277 -0.684 -0.684 269 H LEU 34 H LEU 34 16.076 -3.628 -3.628 270 HA LEU 34 HA LEU 34 17.155 -3.376 -3.376 271 1HB LEU 34 1HB LEU 34 18.897 -5.041 -5.041 272 2HB LEU 34 2HB LEU 34 18.710 -3.688 -3.688 273 HG LEU 34 HG LEU 34 17.154 -6.221 -6.221 274 1HD1 LEU 34 2HD1 LEU 34 19.430 -7.067 -7.067 275 2HD1 LEU 34 3HD1 LEU 34 20.203 -5.936 -5.936 276 3HD1 LEU 34 1HD1 LEU 34 19.167 -7.250 -7.250 277 1HD2 LEU 34 2HD2 LEU 34 18.655 -4.152 -4.152 278 2HD2 LEU 34 3HD2 LEU 34 16.892 -4.299 -4.299 279 3HD2 LEU 34 1HD2 LEU 34 17.781 -5.580 -5.580 280 H SER 35 H SER 35 15.282 -5.838 -5.838 281 HA SER 35 HA SER 35 14.479 -7.923 -7.923 282 1HB SER 35 1HB SER 35 14.441 -6.218 -6.218 283 2HB SER 35 2HB SER 35 14.047 -7.924 -7.924 284 HG SER 35 HG SER 35 12.232 -7.607 -7.607 285 H ALA 36 H ALA 36 17.310 -7.410 -7.410 286 HA ALA 36 HA ALA 36 18.609 -8.775 -8.775 287 1HB ALA 36 2HB ALA 36 19.791 -6.974 -6.974 288 2HB ALA 36 3HB ALA 36 19.716 -7.961 -7.961 289 3HB ALA 36 1HB ALA 36 20.709 -8.489 -8.489 290 H LYS 37 H LYS 37 18.099 -9.525 -9.525 291 HA LYS 37 HA LYS 37 17.711 -12.427 -12.427 292 1HB LYS 37 1HB LYS 37 19.808 -12.789 -12.789 293 2HB LYS 37 2HB LYS 37 19.743 -11.318 -11.318 294 1HG LYS 37 1HG LYS 37 19.050 -12.496 -12.496 295 2HG LYS 37 2HG LYS 37 17.688 -13.192 -13.192 296 1HD LYS 37 1HD LYS 37 20.526 -14.306 -14.306 297 2HD LYS 37 2HD LYS 37 19.600 -14.703 -14.703 298 1HE LYS 37 1HE LYS 37 18.007 -14.952 -14.952 299 2HE LYS 37 2HE LYS 37 19.350 -16.099 -16.099 300 1HZ LYS 37 3HZ LYS 37 18.332 -16.191 -16.191 301 2HZ LYS 37 1HZ LYS 37 16.941 -15.940 -15.940 302 3HZ LYS 37 2HZ LYS 37 17.937 -17.254 -17.254 303 H MET 38 H MET 38 17.317 -10.007 -10.007 304 HA MET 38 HA MET 38 15.479 -11.642 -11.642 305 1HB MET 38 1HB MET 38 16.724 -9.116 -9.116 306 2HB MET 38 2HB MET 38 15.044 -8.659 -8.659 307 1HG MET 38 1HG MET 38 15.306 -10.850 -10.850 308 2HG MET 38 2HG MET 38 16.234 -9.395 -9.395 309 1HE MET 38 3HE MET 38 15.252 -8.948 -8.948 310 2HE MET 38 2HE MET 38 14.701 -7.296 -7.296 311 3HE MET 38 1HE MET 38 13.572 -8.445 -8.445 Start of MODEL 11 1 1H THR 1 1H THR 1 -25.688 -7.665 -7.665 2 2H THR 1 2H THR 1 -24.358 -8.355 -8.355 3 3H THR 1 3H THR 1 -24.937 -9.010 -9.010 4 HA THR 1 HA THR 1 -23.111 -7.883 -7.883 5 HB THR 1 HB THR 1 -23.401 -6.524 -6.524 6 HG1 THR 1 HG1 THR 1 -21.442 -5.595 -5.595 7 1HG2 THR 1 3HG2 THR 1 -23.476 -4.384 -4.384 8 2HG2 THR 1 1HG2 THR 1 -23.107 -4.072 -4.072 9 3HG2 THR 1 2HG2 THR 1 -24.724 -4.601 -4.601 10 HA PRO 2 HA PRO 2 -24.903 -5.708 -5.708 11 1HB PRO 2 1HB PRO 2 -22.929 -3.496 -3.496 12 2HB PRO 2 2HB PRO 2 -23.301 -4.371 -4.371 13 1HG PRO 2 1HG PRO 2 -21.075 -5.024 -5.024 14 2HG PRO 2 2HG PRO 2 -22.163 -6.255 -6.255 15 1HD PRO 2 1HD PRO 2 -22.026 -5.176 -5.176 16 2HD PRO 2 2HD PRO 2 -22.040 -6.932 -6.932 17 H ASP 3 H ASP 3 -25.024 -3.152 -3.152 18 HA ASP 3 HA ASP 3 -27.413 -2.263 -2.263 19 1HB ASP 3 1HB ASP 3 -26.390 -1.456 -1.456 20 2HB ASP 3 2HB ASP 3 -25.382 -0.369 -0.369 21 H VAL 4 H VAL 4 -24.187 -1.965 -1.965 22 HA VAL 4 HA VAL 4 -23.181 -0.530 -0.530 23 HB VAL 4 HB VAL 4 -24.796 -2.200 -2.200 24 1HG1 VAL 4 1HG2 VAL 4 -26.434 0.347 0.347 25 2HG1 VAL 4 2HG2 VAL 4 -26.585 -1.222 -1.222 26 3HG1 VAL 4 3HG2 VAL 4 -27.022 -1.094 -1.094 27 1HG2 VAL 4 2HG1 VAL 4 -22.906 -1.016 -1.016 28 2HG2 VAL 4 3HG1 VAL 4 -24.306 -1.270 -1.270 29 3HG2 VAL 4 1HG1 VAL 4 -23.989 0.347 0.347 30 H SER 5 H SER 5 -23.143 1.110 1.110 31 HA SER 5 HA SER 5 -23.868 3.693 3.693 32 1HB SER 5 1HB SER 5 -26.306 2.836 2.836 33 2HB SER 5 2HB SER 5 -26.297 2.655 2.655 34 HG SER 5 HG SER 5 -25.978 4.878 4.878 35 H SER 6 H SER 6 -24.014 1.354 1.354 36 HA SER 6 HA SER 6 -21.936 3.039 3.039 37 1HB SER 6 1HB SER 6 -23.123 2.732 2.732 38 2HB SER 6 2HB SER 6 -23.880 3.904 3.904 39 HG SER 6 HG SER 6 -25.610 2.737 2.737 40 H ALA 7 H ALA 7 -21.458 0.905 0.905 41 HA ALA 7 HA ALA 7 -21.115 -1.318 -1.318 42 1HB ALA 7 2HB ALA 7 -22.287 -1.983 -1.983 43 2HB ALA 7 3HB ALA 7 -20.909 -1.397 -1.397 44 3HB ALA 7 1HB ALA 7 -20.720 -2.806 -2.806 45 H LEU 8 H LEU 8 -19.500 0.942 0.942 46 HA LEU 8 HA LEU 8 -16.779 -0.087 -0.087 47 1HB LEU 8 1HB LEU 8 -17.560 1.607 1.607 48 2HB LEU 8 2HB LEU 8 -17.472 2.838 2.838 49 HG LEU 8 HG LEU 8 -15.456 2.475 2.475 50 1HD1 LEU 8 2HD1 LEU 8 -15.467 4.083 4.083 51 2HD1 LEU 8 3HD1 LEU 8 -14.969 2.785 2.785 52 3HD1 LEU 8 1HD1 LEU 8 -13.875 3.325 3.325 53 1HD2 LEU 8 2HD2 LEU 8 -14.819 0.274 0.274 54 2HD2 LEU 8 3HD2 LEU 8 -15.055 0.048 0.048 55 3HD2 LEU 8 1HD2 LEU 8 -13.648 0.944 0.944 56 H ASP 9 H ASP 9 -19.073 1.961 1.961 57 HA ASP 9 HA ASP 9 -17.363 3.049 3.049 58 1HB ASP 9 1HB ASP 9 -19.834 3.573 3.573 59 2HB ASP 9 2HB ASP 9 -20.230 1.911 1.911 60 H LYS 10 H LYS 10 -18.557 -0.199 -0.199 61 HA LYS 10 HA LYS 10 -17.911 -1.147 -1.147 62 1HB LYS 10 1HB LYS 10 -18.181 -2.498 -2.498 63 2HB LYS 10 2HB LYS 10 -17.567 -3.450 -3.450 64 1HG LYS 10 1HG LYS 10 -20.096 -1.864 -1.864 65 2HG LYS 10 2HG LYS 10 -20.271 -3.126 -3.126 66 1HD LYS 10 1HD LYS 10 -18.802 -3.987 -3.987 67 2HD LYS 10 2HD LYS 10 -20.443 -3.393 -3.393 68 1HE LYS 10 1HE LYS 10 -21.117 -4.907 -4.907 69 2HE LYS 10 2HE LYS 10 -19.604 -5.758 -5.758 70 1HZ LYS 10 2HZ LYS 10 -20.535 -5.671 -5.671 71 2HZ LYS 10 3HZ LYS 10 -22.015 -5.542 -5.542 72 3HZ LYS 10 1HZ LYS 10 -21.018 -6.864 -6.864 73 H LEU 11 H LEU 11 -15.958 -0.855 -0.855 74 HA LEU 11 HA LEU 11 -13.652 -2.113 -2.113 75 1HB LEU 11 1HB LEU 11 -14.326 -1.769 -1.769 76 2HB LEU 11 2HB LEU 11 -12.635 -1.896 -1.896 77 HG LEU 11 HG LEU 11 -13.005 -4.107 -4.107 78 1HD1 LEU 11 2HD1 LEU 11 -12.411 -4.037 -4.037 79 2HD1 LEU 11 3HD1 LEU 11 -14.136 -4.008 -4.008 80 3HD1 LEU 11 1HD1 LEU 11 -13.439 -5.436 -5.436 81 1HD2 LEU 11 2HD2 LEU 11 -15.957 -3.818 -3.818 82 2HD2 LEU 11 3HD2 LEU 11 -15.359 -3.909 -3.909 83 3HD2 LEU 11 1HD2 LEU 11 -15.221 -5.321 -5.321 84 H LYS 12 H LYS 12 -14.736 0.852 0.852 85 HA LYS 12 HA LYS 12 -12.554 2.520 2.520 86 1HB LYS 12 1HB LYS 12 -14.850 3.037 3.037 87 2HB LYS 12 2HB LYS 12 -13.905 2.858 2.858 88 1HG LYS 12 1HG LYS 12 -13.792 5.221 5.221 89 2HG LYS 12 2HG LYS 12 -12.238 4.621 4.621 90 1HD LYS 12 1HD LYS 12 -13.598 4.443 4.443 91 2HD LYS 12 2HD LYS 12 -14.691 5.592 5.592 92 1HE LYS 12 1HE LYS 12 -12.634 7.060 7.060 93 2HE LYS 12 2HE LYS 12 -11.632 5.987 5.987 94 1HZ LYS 12 2HZ LYS 12 -13.558 6.422 6.422 95 2HZ LYS 12 3HZ LYS 12 -13.732 7.839 7.839 96 3HZ LYS 12 1HZ LYS 12 -12.256 7.473 7.473 97 H GLU 13 H GLU 13 -12.781 1.749 1.749 98 HA GLU 13 HA GLU 13 -10.151 1.784 1.784 99 1HB GLU 13 1HB GLU 13 -11.999 1.031 1.031 100 2HB GLU 13 2HB GLU 13 -12.246 -0.421 -0.421 101 1HG GLU 13 1HG GLU 13 -10.903 -1.558 -1.558 102 2HG GLU 13 2HG GLU 13 -9.521 -0.659 -0.659 103 H PHE 14 H PHE 14 -11.392 -1.362 -1.362 104 HA PHE 14 HA PHE 14 -8.958 -2.738 -2.738 105 1HB PHE 14 1HB PHE 14 -11.043 -3.912 -3.912 106 2HB PHE 14 2HB PHE 14 -11.332 -2.987 -2.987 107 HD1 PHE 14 HD2 PHE 14 -9.245 -5.741 -5.741 108 HD2 PHE 14 HD1 PHE 14 -10.445 -3.679 -3.679 109 HE1 PHE 14 HE2 PHE 14 -8.395 -7.606 -7.606 110 HE2 PHE 14 HE1 PHE 14 -9.598 -5.544 -5.544 111 HZ PHE 14 HZ PHE 14 -8.595 -7.524 -7.524 112 H GLY 15 H GLY 15 -9.491 -0.217 -0.217 113 1HA GLY 15 1HA GLY 15 -7.223 -1.343 -1.343 114 2HA GLY 15 2HA GLY 15 -8.302 -0.010 -0.010 115 H ASN 16 H ASN 16 -8.269 1.509 1.509 116 HA ASN 16 HA ASN 16 -5.910 3.111 3.111 117 1HB ASN 16 1HB ASN 16 -7.876 3.946 3.946 118 2HB ASN 16 2HB ASN 16 -7.806 2.651 2.651 119 1HD2 ASN 16 1HD2 ASN 16 -6.284 5.134 5.134 120 2HD2 ASN 16 2HD2 ASN 16 -7.743 4.037 4.037 121 H THR 17 H THR 17 -6.374 0.180 0.180 122 HA THR 17 HA THR 17 -4.148 0.526 0.526 123 HB THR 17 HB THR 17 -5.118 -2.159 -2.159 124 HG1 THR 17 HG1 THR 17 -6.580 -2.136 -2.136 125 1HG2 THR 17 3HG2 THR 17 -3.992 -1.555 -1.555 126 2HG2 THR 17 1HG2 THR 17 -4.632 -3.125 -3.125 127 3HG2 THR 17 2HG2 THR 17 -3.151 -2.489 -2.489 128 H LEU 18 H LEU 18 -4.293 -0.815 -0.815 129 HA LEU 18 HA LEU 18 -1.479 -1.672 -1.672 130 1HB LEU 18 1HB LEU 18 -2.964 -0.699 -0.699 131 2HB LEU 18 2HB LEU 18 -1.740 -1.948 -1.948 132 HG LEU 18 HG LEU 18 -4.711 -2.106 -2.106 133 1HD1 LEU 18 3HD2 LEU 18 -3.784 -2.794 -2.794 134 2HD1 LEU 18 1HD2 LEU 18 -2.887 -4.095 -4.095 135 3HD1 LEU 18 2HD2 LEU 18 -4.672 -4.091 -4.091 136 1HD2 LEU 18 2HD1 LEU 18 -3.463 -2.985 -2.985 137 2HD2 LEU 18 3HD1 LEU 18 -4.379 -4.265 -4.265 138 3HD2 LEU 18 1HD1 LEU 18 -2.614 -4.145 -4.145 139 H GLU 19 H GLU 19 -3.056 1.371 1.371 140 HA GLU 19 HA GLU 19 -0.430 2.485 2.485 141 1HB GLU 19 1HB GLU 19 -2.822 2.781 2.781 142 2HB GLU 19 2HB GLU 19 -3.177 3.881 3.881 143 1HG GLU 19 1HG GLU 19 -1.310 5.432 5.432 144 2HG GLU 19 2HG GLU 19 -0.878 4.322 4.322 145 H ASP 20 H ASP 20 -0.981 1.818 1.818 146 HA ASP 20 HA ASP 20 0.033 4.521 4.521 147 1HB ASP 20 1HB ASP 20 -2.538 3.503 3.503 148 2HB ASP 20 2HB ASP 20 -1.539 2.990 2.990 149 H LYS 21 H LYS 21 -0.344 1.097 1.097 150 HA LYS 21 HA LYS 21 2.119 1.178 1.178 151 1HB LYS 21 1HB LYS 21 1.402 -0.901 -0.901 152 2HB LYS 21 2HB LYS 21 -0.086 -0.532 -0.532 153 1HG LYS 21 1HG LYS 21 1.654 -1.585 -1.585 154 2HG LYS 21 2HG LYS 21 2.022 -2.557 -2.557 155 1HD LYS 21 1HD LYS 21 -0.072 -3.592 -3.592 156 2HD LYS 21 2HD LYS 21 -0.915 -2.115 -2.115 157 1HE LYS 21 1HE LYS 21 -0.828 -2.760 -2.760 158 2HE LYS 21 2HE LYS 21 0.941 -2.813 -2.813 159 1HZ LYS 21 1HZ LYS 21 0.476 -5.042 -5.042 160 2HZ LYS 21 2HZ LYS 21 -0.977 -4.982 -4.982 161 3HZ LYS 21 3HZ LYS 21 0.482 -4.980 -4.980 162 H ALA 22 H ALA 22 1.361 0.672 0.672 163 HA ALA 22 HA ALA 22 4.172 -0.291 -0.291 164 1HB ALA 22 2HB ALA 22 2.222 -1.129 -1.129 165 2HB ALA 22 3HB ALA 22 1.847 0.530 0.530 166 3HB ALA 22 1HB ALA 22 3.361 -0.252 -0.252 167 H ARG 23 H ARG 23 2.346 2.669 2.669 168 HA ARG 23 HA ARG 23 4.334 4.079 4.079 169 1HB ARG 23 1HB ARG 23 2.300 5.155 5.155 170 2HB ARG 23 2HB ARG 23 1.659 4.600 4.600 171 1HG ARG 23 1HG ARG 23 3.638 6.995 6.995 172 2HG ARG 23 2HG ARG 23 1.886 7.169 7.169 173 1HD ARG 23 1HD ARG 23 2.262 5.623 5.623 174 2HD ARG 23 2HD ARG 23 3.751 6.599 6.599 175 HE ARG 23 HE ARG 23 1.097 7.987 7.987 176 1HH1 ARG 23 2HH2 ARG 23 3.817 7.533 7.533 177 2HH1 ARG 23 1HH2 ARG 23 3.361 8.994 8.994 178 1HH2 ARG 23 1HH1 ARG 23 0.667 9.550 9.550 179 2HH2 ARG 23 2HH1 ARG 23 1.650 10.094 10.094 180 H GLU 24 H GLU 24 3.806 3.653 3.653 181 HA GLU 24 HA GLU 24 5.950 5.649 5.649 182 1HB GLU 24 1HB GLU 24 4.872 3.345 3.345 183 2HB GLU 24 2HB GLU 24 5.706 4.776 4.776 184 1HG GLU 24 1HG GLU 24 3.773 6.176 6.176 185 2HG GLU 24 2HG GLU 24 3.055 5.202 5.202 186 H LEU 25 H LEU 25 5.603 2.163 2.163 187 HA LEU 25 HA LEU 25 8.358 1.536 1.536 188 1HB LEU 25 1HB LEU 25 7.058 -0.404 -0.404 189 2HB LEU 25 2HB LEU 25 6.068 0.098 0.098 190 HG LEU 25 HG LEU 25 8.944 -0.832 -0.832 191 1HD1 LEU 25 2HD1 LEU 25 7.847 -2.590 -2.590 192 2HD1 LEU 25 3HD1 LEU 25 6.475 -2.679 -2.679 193 3HD1 LEU 25 1HD1 LEU 25 8.102 -3.179 -3.179 194 1HD2 LEU 25 2HD2 LEU 25 6.386 -0.929 -0.929 195 2HD2 LEU 25 3HD2 LEU 25 7.799 0.130 0.130 196 3HD2 LEU 25 1HD2 LEU 25 7.968 -1.613 -1.613 197 H ILE 26 H ILE 26 7.070 2.801 2.801 198 HA ILE 26 HA ILE 26 9.301 1.898 1.898 199 HB ILE 26 HB ILE 26 7.000 3.835 3.835 200 1HG1 ILE 26 1HG1 ILE 26 8.065 2.080 2.080 201 2HG1 ILE 26 2HG1 ILE 26 7.193 1.350 1.350 202 1HG2 ILE 26 2HG2 ILE 26 8.862 5.385 5.385 203 2HG2 ILE 26 3HG2 ILE 26 9.431 4.151 4.151 204 3HG2 ILE 26 1HG2 ILE 26 7.852 4.939 4.939 205 1HD1 ILE 26 2HD1 ILE 26 5.174 2.805 2.805 206 2HD1 ILE 26 3HD1 ILE 26 5.982 3.498 3.498 207 3HD1 ILE 26 1HD1 ILE 26 5.597 1.770 1.770 208 H SER 27 H SER 27 8.831 4.616 4.616 209 HA SER 27 HA SER 27 11.411 5.869 5.869 210 1HB SER 27 1HB SER 27 10.027 7.461 7.461 211 2HB SER 27 2HB SER 27 9.395 6.346 6.346 212 HG SER 27 HG SER 27 11.096 8.083 8.083 213 H ARG 28 H ARG 28 10.383 3.489 3.489 214 HA ARG 28 HA ARG 28 13.060 3.201 3.201 215 1HB ARG 28 1HB ARG 28 11.050 2.292 2.292 216 2HB ARG 28 2HB ARG 28 10.617 1.321 1.321 217 1HG ARG 28 1HG ARG 28 13.171 0.271 0.271 218 2HG ARG 28 2HG ARG 28 12.665 0.790 0.790 219 1HD ARG 28 1HD ARG 28 10.379 -0.494 -0.494 220 2HD ARG 28 2HD ARG 28 11.365 -1.278 -1.278 221 HE ARG 28 HE ARG 28 11.556 -1.703 -1.703 222 1HH1 ARG 28 2HH2 ARG 28 13.464 -1.778 -1.778 223 2HH1 ARG 28 1HH2 ARG 28 14.683 -2.951 -2.951 224 1HH2 ARG 28 1HH1 ARG 28 12.913 -2.971 -2.971 225 2HH2 ARG 28 2HH1 ARG 28 14.389 -3.603 -3.603 226 H ILE 29 H ILE 29 11.703 2.266 2.266 227 HA ILE 29 HA ILE 29 13.709 0.050 0.050 228 HB ILE 29 HB ILE 29 11.365 1.154 1.154 229 1HG1 ILE 29 1HG1 ILE 29 10.398 -0.696 -0.696 230 2HG1 ILE 29 2HG1 ILE 29 11.264 -1.602 -1.602 231 1HG2 ILE 29 2HG2 ILE 29 13.163 1.019 1.019 232 2HG2 ILE 29 3HG2 ILE 29 13.516 -0.663 -0.663 233 3HG2 ILE 29 1HG2 ILE 29 11.957 -0.215 -0.215 234 1HD1 ILE 29 2HD1 ILE 29 13.174 -2.067 -2.067 235 2HD1 ILE 29 3HD1 ILE 29 12.282 -1.248 -1.248 236 3HD1 ILE 29 1HD1 ILE 29 11.618 -2.714 -2.714 237 H LYS 30 H LYS 30 13.164 3.354 3.354 238 HA LYS 30 HA LYS 30 15.378 3.427 3.427 239 1HB LYS 30 1HB LYS 30 15.150 5.955 5.955 240 2HB LYS 30 2HB LYS 30 13.630 5.151 5.151 241 1HG LYS 30 1HG LYS 30 12.914 6.549 6.549 242 2HG LYS 30 2HG LYS 30 13.345 5.122 5.122 243 1HD LYS 30 1HD LYS 30 14.255 7.044 7.044 244 2HD LYS 30 2HD LYS 30 15.653 6.252 6.252 245 1HE LYS 30 1HE LYS 30 15.710 7.844 7.844 246 2HE LYS 30 2HE LYS 30 14.110 8.496 8.496 247 1HZ LYS 30 1HZ LYS 30 15.187 9.032 9.032 248 2HZ LYS 30 2HZ LYS 30 16.644 8.884 8.884 249 3HZ LYS 30 3HZ LYS 30 15.506 10.018 10.018 250 H GLN 31 H GLN 31 15.090 4.162 4.162 251 HA GLN 31 HA GLN 31 18.071 4.638 4.638 252 1HB GLN 31 1HB GLN 31 15.837 5.589 5.589 253 2HB GLN 31 2HB GLN 31 16.447 4.361 4.361 254 1HG GLN 31 1HG GLN 31 18.794 5.573 5.573 255 2HG GLN 31 2HG GLN 31 17.973 6.862 6.862 256 1HE2 GLN 31 2HE2 GLN 31 16.307 7.655 7.655 257 2HE2 GLN 31 1HE2 GLN 31 15.653 7.002 7.002 258 H SER 32 H SER 32 17.658 2.217 2.217 259 HA SER 32 HA SER 32 18.955 0.459 0.459 260 1HB SER 32 1HB SER 32 16.376 0.604 0.604 261 2HB SER 32 2HB SER 32 16.100 -0.533 -0.533 262 HG SER 32 HG SER 32 18.261 -1.270 -1.270 263 H GLU 33 H GLU 33 19.944 0.970 0.970 264 HA GLU 33 HA GLU 33 19.094 -1.294 -1.294 265 1HB GLU 33 1HB GLU 33 19.261 1.634 1.634 266 2HB GLU 33 2HB GLU 33 20.386 0.853 0.853 267 1HG GLU 33 1HG GLU 33 17.911 -0.636 -0.636 268 2HG GLU 33 2HG GLU 33 17.417 1.035 1.035 269 H LEU 34 H LEU 34 21.135 -1.161 -1.161 270 HA LEU 34 HA LEU 34 23.500 -1.823 -1.823 271 1HB LEU 34 1HB LEU 34 24.808 -1.922 -1.922 272 2HB LEU 34 2HB LEU 34 24.329 -0.339 -0.339 273 HG LEU 34 HG LEU 34 22.628 -1.823 -1.823 274 1HD1 LEU 34 2HD1 LEU 34 24.989 -1.768 -1.768 275 2HD1 LEU 34 3HD1 LEU 34 25.071 -0.010 -0.010 276 3HD1 LEU 34 1HD1 LEU 34 23.948 -0.679 -0.679 277 1HD2 LEU 34 2HD2 LEU 34 22.996 1.190 1.190 278 2HD2 LEU 34 3HD2 LEU 34 21.553 0.198 0.198 279 3HD2 LEU 34 1HD2 LEU 34 22.017 0.541 0.541 280 H SER 35 H SER 35 21.583 -3.030 -3.030 281 HA SER 35 HA SER 35 21.494 -5.217 -5.217 282 1HB SER 35 1HB SER 35 20.654 -5.355 -5.355 283 2HB SER 35 2HB SER 35 21.915 -6.577 -6.577 284 HG SER 35 HG SER 35 19.793 -7.337 -7.337 285 H ALA 36 H ALA 36 24.027 -3.968 -3.968 286 HA ALA 36 HA ALA 36 26.172 -4.638 -4.638 287 1HB ALA 36 2HB ALA 36 24.794 -6.101 -6.101 288 2HB ALA 36 3HB ALA 36 24.755 -7.391 -7.391 289 3HB ALA 36 1HB ALA 36 26.293 -6.937 -6.937 290 H LYS 37 H LYS 37 26.085 -4.284 -4.284 291 HA LYS 37 HA LYS 37 27.621 -4.654 -4.654 292 1HB LYS 37 1HB LYS 37 28.990 -5.617 -5.617 293 2HB LYS 37 2HB LYS 37 28.885 -7.103 -7.103 294 1HG LYS 37 1HG LYS 37 29.996 -5.954 -5.954 295 2HG LYS 37 2HG LYS 37 30.015 -4.428 -4.428 296 1HD LYS 37 1HD LYS 37 32.130 -5.058 -5.058 297 2HD LYS 37 2HD LYS 37 31.360 -6.190 -6.190 298 1HE LYS 37 1HE LYS 37 31.194 -7.900 -7.900 299 2HE LYS 37 2HE LYS 37 32.237 -6.819 -6.819 300 1HZ LYS 37 3HZ LYS 37 33.114 -7.470 -7.470 301 2HZ LYS 37 1HZ LYS 37 33.211 -8.683 -8.683 302 3HZ LYS 37 2HZ LYS 37 34.014 -7.225 -7.225 303 H MET 38 H MET 38 25.050 -5.900 -5.900 304 HA MET 38 HA MET 38 25.441 -8.432 -8.432 305 1HB MET 38 1HB MET 38 23.273 -7.240 -7.240 306 2HB MET 38 2HB MET 38 22.735 -7.218 -7.218 307 1HG MET 38 1HG MET 38 23.885 -9.883 -9.883 308 2HG MET 38 2HG MET 38 22.492 -9.386 -9.386 309 1HE MET 38 1HE MET 38 23.736 -11.195 -11.195 310 2HE MET 38 3HE MET 38 22.423 -11.516 -11.516 311 3HE MET 38 2HE MET 38 23.561 -10.164 -10.164 Start of MODEL 12 1 1H THR 1 1H THR 1 -15.220 -13.367 -13.367 2 2H THR 1 2H THR 1 -15.396 -12.400 -12.400 3 3H THR 1 3H THR 1 -13.861 -12.744 -12.744 4 HA THR 1 HA THR 1 -14.291 -11.558 -11.558 5 HB THR 1 HB THR 1 -15.156 -9.635 -9.635 6 HG1 THR 1 HG1 THR 1 -13.073 -9.723 -9.723 7 1HG2 THR 1 3HG2 THR 1 -12.783 -9.482 -9.482 8 2HG2 THR 1 1HG2 THR 1 -13.230 -8.221 -8.221 9 3HG2 THR 1 2HG2 THR 1 -14.318 -8.597 -8.597 10 HA PRO 2 HA PRO 2 -18.395 -10.787 -10.787 11 1HB PRO 2 1HB PRO 2 -17.238 -8.083 -8.083 12 2HB PRO 2 2HB PRO 2 -18.168 -9.333 -9.333 13 1HG PRO 2 1HG PRO 2 -15.368 -9.044 -9.044 14 2HG PRO 2 2HG PRO 2 -16.319 -10.672 -10.672 15 1HD PRO 2 1HD PRO 2 -14.919 -9.076 -9.076 16 2HD PRO 2 2HD PRO 2 -14.662 -10.838 -10.838 17 H ASP 3 H ASP 3 -19.622 -8.397 -8.397 18 HA ASP 3 HA ASP 3 -20.661 -7.733 -7.733 19 1HB ASP 3 1HB ASP 3 -22.046 -7.232 -7.232 20 2HB ASP 3 2HB ASP 3 -20.775 -6.264 -6.264 21 H VAL 4 H VAL 4 -19.221 -7.320 -7.320 22 HA VAL 4 HA VAL 4 -16.915 -5.497 -5.497 23 HB VAL 4 HB VAL 4 -16.496 -7.399 -7.399 24 1HG1 VAL 4 1HG2 VAL 4 -18.658 -6.408 -6.408 25 2HG1 VAL 4 2HG2 VAL 4 -17.516 -7.745 -7.745 26 3HG1 VAL 4 3HG2 VAL 4 -18.730 -7.897 -7.897 27 1HG2 VAL 4 2HG1 VAL 4 -15.232 -5.310 -5.310 28 2HG2 VAL 4 3HG1 VAL 4 -15.521 -6.389 -6.389 29 3HG2 VAL 4 1HG1 VAL 4 -16.508 -4.917 -4.917 30 H SER 5 H SER 5 -17.643 -3.590 -3.590 31 HA SER 5 HA SER 5 -18.128 -1.517 -1.517 32 1HB SER 5 1HB SER 5 -20.166 -1.610 -1.610 33 2HB SER 5 2HB SER 5 -20.323 -3.272 -3.272 34 HG SER 5 HG SER 5 -21.723 -1.121 -1.121 35 H SER 6 H SER 6 -19.867 -2.985 -2.985 36 HA SER 6 HA SER 6 -18.901 -0.589 -0.589 37 1HB SER 6 1HB SER 6 -21.522 -1.881 -1.881 38 2HB SER 6 2HB SER 6 -21.004 -0.217 -0.217 39 HG SER 6 HG SER 6 -21.561 0.238 0.238 40 H ALA 7 H ALA 7 -17.395 -2.694 -2.694 41 HA ALA 7 HA ALA 7 -17.816 -4.132 -4.132 42 1HB ALA 7 2HB ALA 7 -17.637 -5.668 -5.668 43 2HB ALA 7 3HB ALA 7 -16.077 -4.937 -4.937 44 3HB ALA 7 1HB ALA 7 -16.225 -5.885 -5.885 45 H LEU 8 H LEU 8 -15.793 -2.071 -2.071 46 HA LEU 8 HA LEU 8 -13.601 -1.971 -1.971 47 1HB LEU 8 1HB LEU 8 -13.478 -1.191 -1.191 48 2HB LEU 8 2HB LEU 8 -14.439 0.203 0.203 49 HG LEU 8 HG LEU 8 -12.652 1.075 1.075 50 1HD1 LEU 8 2HD1 LEU 8 -11.776 -1.113 -1.113 51 2HD1 LEU 8 3HD1 LEU 8 -11.058 -1.482 -1.482 52 3HD1 LEU 8 1HD1 LEU 8 -10.458 -0.108 -0.108 53 1HD2 LEU 8 2HD2 LEU 8 -11.553 0.193 0.193 54 2HD2 LEU 8 3HD2 LEU 8 -12.434 1.697 1.697 55 3HD2 LEU 8 1HD2 LEU 8 -10.819 1.445 1.445 56 H ASP 9 H ASP 9 -16.692 -0.442 -0.442 57 HA ASP 9 HA ASP 9 -16.368 1.668 1.668 58 1HB ASP 9 1HB ASP 9 -18.491 1.267 1.267 59 2HB ASP 9 2HB ASP 9 -18.853 -0.138 -0.138 60 H LYS 10 H LYS 10 -16.860 -1.752 -1.752 61 HA LYS 10 HA LYS 10 -17.280 -1.760 -1.760 62 1HB LYS 10 1HB LYS 10 -16.379 -3.654 -3.654 63 2HB LYS 10 2HB LYS 10 -15.234 -3.770 -3.770 64 1HG LYS 10 1HG LYS 10 -18.295 -3.877 -3.877 65 2HG LYS 10 2HG LYS 10 -17.369 -5.316 -5.316 66 1HD LYS 10 1HD LYS 10 -15.960 -4.906 -4.906 67 2HD LYS 10 2HD LYS 10 -16.970 -3.494 -3.494 68 1HE LYS 10 1HE LYS 10 -18.376 -6.164 -6.164 69 2HE LYS 10 2HE LYS 10 -17.628 -5.944 -5.944 70 1HZ LYS 10 1HZ LYS 10 -19.131 -3.640 -3.640 71 2HZ LYS 10 2HZ LYS 10 -20.063 -5.029 -5.029 72 3HZ LYS 10 3HZ LYS 10 -19.154 -4.456 -4.456 73 H LEU 11 H LEU 11 -14.205 -1.567 -1.567 74 HA LEU 11 HA LEU 11 -12.729 -0.838 -0.838 75 1HB LEU 11 1HB LEU 11 -11.958 -0.458 -0.458 76 2HB LEU 11 2HB LEU 11 -10.872 -0.202 -0.202 77 HG LEU 11 HG LEU 11 -12.116 -2.864 -2.864 78 1HD1 LEU 11 2HD1 LEU 11 -10.203 -2.016 -2.016 79 2HD1 LEU 11 3HD1 LEU 11 -9.177 -1.882 -1.882 80 3HD1 LEU 11 1HD1 LEU 11 -9.737 -3.477 -3.477 81 1HD2 LEU 11 2HD2 LEU 11 -10.293 -2.364 -2.364 82 2HD2 LEU 11 3HD2 LEU 11 -11.968 -2.969 -2.969 83 3HD2 LEU 11 1HD2 LEU 11 -10.686 -3.972 -3.972 84 H LYS 12 H LYS 12 -12.766 1.252 1.252 85 HA LYS 12 HA LYS 12 -12.676 3.633 3.633 86 1HB LYS 12 1HB LYS 12 -15.168 3.068 3.068 87 2HB LYS 12 2HB LYS 12 -14.781 3.448 3.448 88 1HG LYS 12 1HG LYS 12 -15.733 5.480 5.480 89 2HG LYS 12 2HG LYS 12 -14.014 5.790 5.790 90 1HD LYS 12 1HD LYS 12 -15.140 6.535 6.535 91 2HD LYS 12 2HD LYS 12 -13.595 5.673 5.673 92 1HE LYS 12 1HE LYS 12 -15.617 3.599 3.599 93 2HE LYS 12 2HE LYS 12 -16.267 4.816 4.816 94 1HZ LYS 12 1HZ LYS 12 -13.429 4.170 4.170 95 2HZ LYS 12 2HZ LYS 12 -14.538 2.995 2.995 96 3HZ LYS 12 3HZ LYS 12 -14.589 4.525 4.525 97 H GLU 13 H GLU 13 -13.563 3.894 3.894 98 HA GLU 13 HA GLU 13 -11.339 5.123 5.123 99 1HB GLU 13 1HB GLU 13 -13.476 3.959 3.959 100 2HB GLU 13 2HB GLU 13 -12.450 2.564 2.564 101 1HG GLU 13 1HG GLU 13 -11.494 3.453 3.453 102 2HG GLU 13 2HG GLU 13 -11.116 4.978 4.978 103 H PHE 14 H PHE 14 -11.366 1.551 1.551 104 HA PHE 14 HA PHE 14 -8.775 1.059 1.059 105 1HB PHE 14 1HB PHE 14 -10.514 -0.762 -0.762 106 2HB PHE 14 2HB PHE 14 -9.736 -0.485 -0.485 107 HD1 PHE 14 HD2 PHE 14 -7.953 -0.588 -0.588 108 HD2 PHE 14 HD1 PHE 14 -8.844 -2.638 -2.638 109 HE1 PHE 14 HE2 PHE 14 -6.409 -2.403 -2.403 110 HE2 PHE 14 HE1 PHE 14 -7.305 -4.446 -4.446 111 HZ PHE 14 HZ PHE 14 -6.115 -4.356 -4.356 112 H GLY 15 H GLY 15 -9.308 2.786 2.786 113 1HA GLY 15 1HA GLY 15 -6.454 2.099 2.099 114 2HA GLY 15 2HA GLY 15 -7.723 2.769 2.769 115 H ASN 16 H ASN 16 -8.744 4.702 4.702 116 HA ASN 16 HA ASN 16 -7.092 6.998 6.998 117 1HB ASN 16 1HB ASN 16 -9.544 6.789 6.789 118 2HB ASN 16 2HB ASN 16 -8.839 6.489 6.489 119 1HD2 ASN 16 1HD2 ASN 16 -9.580 10.061 10.061 120 2HD2 ASN 16 2HD2 ASN 16 -10.536 8.481 8.481 121 H THR 17 H THR 17 -7.089 4.709 4.709 122 HA THR 17 HA THR 17 -5.134 6.335 6.335 123 HB THR 17 HB THR 17 -6.084 3.410 3.410 124 HG1 THR 17 HG1 THR 17 -7.354 4.329 4.329 125 1HG2 THR 17 3HG2 THR 17 -4.648 5.178 5.178 126 2HG2 THR 17 1HG2 THR 17 -5.379 3.583 3.583 127 3HG2 THR 17 2HG2 THR 17 -3.969 3.709 3.709 128 H LEU 18 H LEU 18 -4.959 3.521 3.521 129 HA LEU 18 HA LEU 18 -2.091 3.046 3.046 130 1HB LEU 18 1HB LEU 18 -2.995 1.047 1.047 131 2HB LEU 18 2HB LEU 18 -4.219 1.843 1.843 132 HG LEU 18 HG LEU 18 -2.051 2.327 2.327 133 1HD1 LEU 18 2HD1 LEU 18 -0.438 1.179 1.179 134 2HD1 LEU 18 3HD1 LEU 18 -1.378 -0.330 -0.330 135 3HD1 LEU 18 1HD1 LEU 18 -0.557 0.318 0.318 136 1HD2 LEU 18 2HD2 LEU 18 -3.710 -0.290 -0.290 137 2HD2 LEU 18 3HD2 LEU 18 -4.123 1.204 1.204 138 3HD2 LEU 18 1HD2 LEU 18 -2.730 0.248 0.248 139 H GLU 19 H GLU 19 -3.712 5.218 5.218 140 HA GLU 19 HA GLU 19 -1.161 5.661 5.661 141 1HB GLU 19 1HB GLU 19 -3.704 5.755 5.755 142 2HB GLU 19 2HB GLU 19 -3.743 7.340 7.340 143 1HG GLU 19 1HG GLU 19 -3.085 8.101 8.101 144 2HG GLU 19 2HG GLU 19 -1.471 7.638 7.638 145 H ASP 20 H ASP 20 -1.718 6.257 6.257 146 HA ASP 20 HA ASP 20 -0.267 8.925 8.925 147 1HB ASP 20 1HB ASP 20 -2.669 8.863 8.863 148 2HB ASP 20 2HB ASP 20 -1.802 8.100 8.100 149 H LYS 21 H LYS 21 -0.574 5.903 5.903 150 HA LYS 21 HA LYS 21 2.001 6.430 6.430 151 1HB LYS 21 1HB LYS 21 0.381 3.795 3.795 152 2HB LYS 21 2HB LYS 21 1.563 4.239 4.239 153 1HG LYS 21 1HG LYS 21 -0.014 5.422 5.422 154 2HG LYS 21 2HG LYS 21 -0.570 6.310 6.310 155 1HD LYS 21 1HD LYS 21 -2.202 4.720 4.720 156 2HD LYS 21 2HD LYS 21 -2.296 4.733 4.733 157 1HE LYS 21 1HE LYS 21 -1.198 2.629 2.629 158 2HE LYS 21 2HE LYS 21 -0.299 2.779 2.779 159 1HZ LYS 21 2HZ LYS 21 -3.249 2.623 2.623 160 2HZ LYS 21 3HZ LYS 21 -2.321 1.229 1.229 161 3HZ LYS 21 1HZ LYS 21 -2.136 2.216 2.216 162 H ALA 22 H ALA 22 0.863 4.573 4.573 163 HA ALA 22 HA ALA 22 3.405 3.178 3.178 164 1HB ALA 22 2HB ALA 22 1.222 2.574 2.574 165 2HB ALA 22 3HB ALA 22 1.208 4.128 4.128 166 3HB ALA 22 1HB ALA 22 2.458 2.912 2.912 167 H ARG 23 H ARG 23 2.447 6.460 6.460 168 HA ARG 23 HA ARG 23 4.369 7.132 7.132 169 1HB ARG 23 1HB ARG 23 3.235 8.984 8.984 170 2HB ARG 23 2HB ARG 23 3.918 9.508 9.508 171 1HG ARG 23 1HG ARG 23 1.602 7.546 7.546 172 2HG ARG 23 2HG ARG 23 1.184 9.072 9.072 173 1HD ARG 23 1HD ARG 23 0.897 9.016 9.016 174 2HD ARG 23 2HD ARG 23 1.906 10.365 10.365 175 HE ARG 23 HE ARG 23 3.868 8.529 8.529 176 1HH1 ARG 23 2HH2 ARG 23 1.159 9.213 9.213 177 2HH1 ARG 23 1HH2 ARG 23 2.084 8.709 8.709 178 1HH2 ARG 23 1HH1 ARG 23 4.805 8.004 8.004 179 2HH2 ARG 23 2HH1 ARG 23 4.067 8.054 8.054 180 H GLU 24 H GLU 24 4.497 7.389 7.389 181 HA GLU 24 HA GLU 24 7.281 8.515 8.515 182 1HB GLU 24 1HB GLU 24 5.795 7.437 7.437 183 2HB GLU 24 2HB GLU 24 7.120 8.575 8.575 184 1HG GLU 24 1HG GLU 24 5.724 10.421 10.421 185 2HG GLU 24 2HG GLU 24 4.522 9.409 9.409 186 H LEU 25 H LEU 25 5.725 5.489 5.489 187 HA LEU 25 HA LEU 25 8.182 4.028 4.028 188 1HB LEU 25 1HB LEU 25 6.369 2.697 2.697 189 2HB LEU 25 2HB LEU 25 5.347 3.363 3.363 190 HG LEU 25 HG LEU 25 7.517 1.481 1.481 191 1HD1 LEU 25 2HD1 LEU 25 6.770 0.383 0.383 192 2HD1 LEU 25 3HD1 LEU 25 5.071 0.468 0.468 193 3HD1 LEU 25 1HD1 LEU 25 6.236 -0.544 -0.544 194 1HD2 LEU 25 2HD2 LEU 25 4.504 1.774 1.774 195 2HD2 LEU 25 3HD2 LEU 25 5.878 2.347 2.347 196 3HD2 LEU 25 1HD2 LEU 25 5.618 0.612 0.612 197 H ILE 26 H ILE 26 6.829 5.067 5.067 198 HA ILE 26 HA ILE 26 8.470 3.262 3.262 199 HB ILE 26 HB ILE 26 6.801 5.741 5.741 200 1HG1 ILE 26 1HG1 ILE 26 6.937 3.338 3.338 201 2HG1 ILE 26 2HG1 ILE 26 6.110 3.188 3.188 202 1HG2 ILE 26 2HG2 ILE 26 8.894 6.435 6.435 203 2HG2 ILE 26 3HG2 ILE 26 8.891 4.888 4.888 204 3HG2 ILE 26 1HG2 ILE 26 7.601 6.086 6.086 205 1HD1 ILE 26 2HD1 ILE 26 4.563 5.102 5.102 206 2HD1 ILE 26 3HD1 ILE 26 5.301 5.221 5.221 207 3HD1 ILE 26 1HD1 ILE 26 4.443 3.745 3.745 208 H SER 27 H SER 27 9.016 6.384 6.384 209 HA SER 27 HA SER 27 11.621 6.864 6.864 210 1HB SER 27 1HB SER 27 11.104 8.738 8.738 211 2HB SER 27 2HB SER 27 10.163 7.860 7.860 212 HG SER 27 HG SER 27 12.733 8.709 8.709 213 H ARG 28 H ARG 28 10.633 4.858 4.858 214 HA ARG 28 HA ARG 28 13.407 3.961 3.961 215 1HB ARG 28 1HB ARG 28 11.791 3.726 3.726 216 2HB ARG 28 2HB ARG 28 10.576 3.018 3.018 217 1HG ARG 28 1HG ARG 28 12.326 0.956 0.956 218 2HG ARG 28 2HG ARG 28 13.085 1.686 1.686 219 1HD ARG 28 1HD ARG 28 10.058 1.262 1.262 220 2HD ARG 28 2HD ARG 28 11.112 -0.170 -0.170 221 HE ARG 28 HE ARG 28 10.909 2.099 2.099 222 1HH1 ARG 28 2HH2 ARG 28 12.680 -0.744 -0.744 223 2HH1 ARG 28 1HH2 ARG 28 13.458 -0.892 -0.892 224 1HH2 ARG 28 1HH1 ARG 28 11.789 1.875 1.875 225 2HH2 ARG 28 2HH1 ARG 28 12.976 0.527 0.527 226 H ILE 29 H ILE 29 10.976 3.082 3.082 227 HA ILE 29 HA ILE 29 11.932 0.288 0.288 228 HB ILE 29 HB ILE 29 9.942 2.080 2.080 229 1HG1 ILE 29 1HG1 ILE 29 9.047 -0.699 -0.699 230 2HG1 ILE 29 2HG1 ILE 29 9.758 -0.239 -0.239 231 1HG2 ILE 29 2HG2 ILE 29 11.184 1.124 1.124 232 2HG2 ILE 29 3HG2 ILE 29 10.966 -0.524 -0.524 233 3HG2 ILE 29 1HG2 ILE 29 9.579 0.446 0.446 234 1HD1 ILE 29 2HD1 ILE 29 8.263 1.784 1.784 235 2HD1 ILE 29 3HD1 ILE 29 7.435 1.294 1.294 236 3HD1 ILE 29 1HD1 ILE 29 7.370 0.248 0.248 237 H LYS 30 H LYS 30 12.584 3.357 3.357 238 HA LYS 30 HA LYS 30 14.270 2.525 2.525 239 1HB LYS 30 1HB LYS 30 14.638 4.792 4.792 240 2HB LYS 30 2HB LYS 30 13.775 4.949 4.949 241 1HG LYS 30 1HG LYS 30 16.482 4.031 4.031 242 2HG LYS 30 2HG LYS 30 16.645 5.311 5.311 243 1HD LYS 30 1HD LYS 30 14.719 6.255 6.255 244 2HD LYS 30 2HD LYS 30 15.963 5.416 5.416 245 1HE LYS 30 1HE LYS 30 17.728 6.713 6.713 246 2HE LYS 30 2HE LYS 30 16.378 7.771 7.771 247 1HZ LYS 30 2HZ LYS 30 16.042 7.695 7.695 248 2HZ LYS 30 3HZ LYS 30 17.705 7.452 7.452 249 3HZ LYS 30 1HZ LYS 30 17.030 8.818 8.818 250 H GLN 31 H GLN 31 15.009 2.708 2.708 251 HA GLN 31 HA GLN 31 17.750 1.548 1.548 252 1HB GLN 31 1HB GLN 31 16.713 3.338 3.338 253 2HB GLN 31 2HB GLN 31 16.731 1.844 1.844 254 1HG GLN 31 1HG GLN 31 19.308 1.677 1.677 255 2HG GLN 31 2HG GLN 31 19.127 3.380 3.380 256 1HE2 GLN 31 2HE2 GLN 31 18.815 3.823 3.823 257 2HE2 GLN 31 1HE2 GLN 31 17.717 4.182 4.182 258 H SER 32 H SER 32 15.838 -0.130 -0.130 259 HA SER 32 HA SER 32 16.581 -2.579 -2.579 260 1HB SER 32 1HB SER 32 14.750 -1.281 -1.281 261 2HB SER 32 2HB SER 32 13.642 -2.248 -2.248 262 HG SER 32 HG SER 32 15.359 -4.006 -4.006 263 H GLU 33 H GLU 33 16.648 -1.911 -1.911 264 HA GLU 33 HA GLU 33 14.214 -3.311 -3.311 265 1HB GLU 33 1HB GLU 33 15.470 -0.665 -0.665 266 2HB GLU 33 2HB GLU 33 15.517 -1.605 -1.605 267 1HG GLU 33 1HG GLU 33 12.879 -1.988 -1.988 268 2HG GLU 33 2HG GLU 33 13.028 -0.638 -0.638 269 H LEU 34 H LEU 34 16.752 -4.411 -4.411 270 HA LEU 34 HA LEU 34 17.293 -5.849 -5.849 271 1HB LEU 34 1HB LEU 34 19.779 -6.077 -6.077 272 2HB LEU 34 2HB LEU 34 19.286 -4.587 -4.587 273 HG LEU 34 HG LEU 34 18.981 -4.361 -4.361 274 1HD1 LEU 34 2HD1 LEU 34 20.805 -6.089 -6.089 275 2HD1 LEU 34 3HD1 LEU 34 21.806 -5.089 -5.089 276 3HD1 LEU 34 1HD1 LEU 34 21.413 -4.519 -4.519 277 1HD2 LEU 34 2HD2 LEU 34 20.737 -2.840 -2.840 278 2HD2 LEU 34 3HD2 LEU 34 19.132 -2.355 -2.355 279 3HD2 LEU 34 1HD2 LEU 34 20.511 -2.355 -2.355 280 H SER 35 H SER 35 18.975 -6.254 -6.254 281 HA SER 35 HA SER 35 18.341 -7.565 -7.565 282 1HB SER 35 1HB SER 35 15.929 -7.877 -7.877 283 2HB SER 35 2HB SER 35 16.540 -9.472 -9.472 284 HG SER 35 HG SER 35 16.406 -10.045 -10.045 285 H ALA 36 H ALA 36 20.054 -7.939 -7.939 286 HA ALA 36 HA ALA 36 22.167 -9.047 -9.047 287 1HB ALA 36 2HB ALA 36 21.904 -9.502 -9.502 288 2HB ALA 36 3HB ALA 36 20.868 -10.909 -10.909 289 3HB ALA 36 1HB ALA 36 22.587 -10.932 -10.932 290 H LYS 37 H LYS 37 19.132 -10.659 -10.659 291 HA LYS 37 HA LYS 37 20.501 -12.480 -12.480 292 1HB LYS 37 1HB LYS 37 18.080 -12.670 -12.670 293 2HB LYS 37 2HB LYS 37 17.637 -12.936 -12.936 294 1HG LYS 37 1HG LYS 37 20.125 -14.437 -14.437 295 2HG LYS 37 2HG LYS 37 18.918 -14.787 -14.787 296 1HD LYS 37 1HD LYS 37 18.341 -14.955 -14.955 297 2HD LYS 37 2HD LYS 37 19.056 -16.304 -16.304 298 1HE LYS 37 1HE LYS 37 17.118 -16.528 -16.528 299 2HE LYS 37 2HE LYS 37 16.464 -14.947 -14.947 300 1HZ LYS 37 3HZ LYS 37 16.838 -17.143 -17.143 301 2HZ LYS 37 1HZ LYS 37 15.415 -16.903 -16.903 302 3HZ LYS 37 2HZ LYS 37 15.966 -15.718 -15.718 303 H MET 38 H MET 38 18.727 -9.561 -9.561 304 HA MET 38 HA MET 38 17.540 -9.361 -9.361 305 1HB MET 38 1HB MET 38 17.260 -7.263 -7.263 306 2HB MET 38 2HB MET 38 18.556 -7.521 -7.521 307 1HG MET 38 1HG MET 38 20.027 -6.157 -6.157 308 2HG MET 38 2HG MET 38 19.622 -6.846 -6.846 309 1HE MET 38 3HE MET 38 17.070 -6.688 -6.688 310 2HE MET 38 2HE MET 38 16.515 -5.031 -5.031 311 3HE MET 38 1HE MET 38 18.113 -5.595 -5.595 Start of MODEL 13 1 1H THR 1 2H THR 1 -14.033 -7.682 -7.682 2 2H THR 1 3H THR 1 -13.218 -6.507 -6.507 3 3H THR 1 1H THR 1 -12.546 -8.037 -8.037 4 HA THR 1 HA THR 1 -13.826 -9.009 -9.009 5 HB THR 1 HB THR 1 -12.787 -6.470 -6.470 6 HG1 THR 1 HG1 THR 1 -12.926 -7.336 -7.336 7 1HG2 THR 1 3HG2 THR 1 -15.616 -6.724 -6.724 8 2HG2 THR 1 1HG2 THR 1 -14.343 -5.601 -5.601 9 3HG2 THR 1 2HG2 THR 1 -15.077 -5.394 -5.394 10 HA PRO 2 HA PRO 2 -18.260 -9.050 -9.050 11 1HB PRO 2 1HB PRO 2 -18.110 -8.368 -8.368 12 2HB PRO 2 2HB PRO 2 -19.057 -9.740 -9.740 13 1HG PRO 2 1HG PRO 2 -16.630 -10.208 -10.208 14 2HG PRO 2 2HG PRO 2 -17.146 -10.971 -10.971 15 1HD PRO 2 1HD PRO 2 -15.428 -8.537 -8.537 16 2HD PRO 2 2HD PRO 2 -14.968 -9.910 -9.910 17 H ASP 3 H ASP 3 -20.129 -7.951 -7.951 18 HA ASP 3 HA ASP 3 -20.723 -5.431 -5.431 19 1HB ASP 3 1HB ASP 3 -22.460 -6.246 -6.246 20 2HB ASP 3 2HB ASP 3 -21.330 -6.789 -6.789 21 H VAL 4 H VAL 4 -19.351 -3.987 -3.987 22 HA VAL 4 HA VAL 4 -17.684 -2.870 -2.870 23 HB VAL 4 HB VAL 4 -16.579 -3.766 -3.766 24 1HG1 VAL 4 1HG2 VAL 4 -17.569 -1.104 -1.104 25 2HG1 VAL 4 2HG2 VAL 4 -16.344 -2.189 -2.189 26 3HG1 VAL 4 3HG2 VAL 4 -18.002 -2.742 -2.742 27 1HG2 VAL 4 2HG1 VAL 4 -15.288 -2.280 -2.280 28 2HG2 VAL 4 3HG1 VAL 4 -14.804 -2.029 -2.029 29 3HG2 VAL 4 1HG1 VAL 4 -15.858 -0.839 -0.839 30 H SER 5 H SER 5 -20.453 -2.346 -2.346 31 HA SER 5 HA SER 5 -20.263 0.651 0.651 32 1HB SER 5 1HB SER 5 -22.987 0.038 0.038 33 2HB SER 5 2HB SER 5 -22.329 0.412 0.412 34 HG SER 5 HG SER 5 -23.332 -1.880 -1.880 35 H SER 6 H SER 6 -21.146 -1.752 -1.752 36 HA SER 6 HA SER 6 -20.694 0.461 0.461 37 1HB SER 6 1HB SER 6 -23.185 -0.312 -0.312 38 2HB SER 6 2HB SER 6 -22.698 -1.848 -1.848 39 HG SER 6 HG SER 6 -22.657 0.745 0.745 40 H ALA 7 H ALA 7 -18.700 -0.983 -0.983 41 HA ALA 7 HA ALA 7 -18.081 -2.891 -2.891 42 1HB ALA 7 2HB ALA 7 -17.701 -3.793 -3.793 43 2HB ALA 7 3HB ALA 7 -16.615 -2.434 -2.434 44 3HB ALA 7 1HB ALA 7 -16.149 -3.645 -3.645 45 H LEU 8 H LEU 8 -17.324 0.156 0.156 46 HA LEU 8 HA LEU 8 -14.939 0.645 0.645 47 1HB LEU 8 1HB LEU 8 -15.708 1.956 1.956 48 2HB LEU 8 2HB LEU 8 -16.854 2.781 2.781 49 HG LEU 8 HG LEU 8 -14.268 3.624 3.624 50 1HD1 LEU 8 2HD1 LEU 8 -16.189 5.040 5.040 51 2HD1 LEU 8 3HD1 LEU 8 -15.990 4.425 4.425 52 3HD1 LEU 8 1HD1 LEU 8 -14.713 5.412 5.412 53 1HD2 LEU 8 2HD2 LEU 8 -14.191 2.471 2.471 54 2HD2 LEU 8 3HD2 LEU 8 -13.151 2.001 2.001 55 3HD2 LEU 8 1HD2 LEU 8 -13.001 3.619 3.619 56 H ASP 9 H ASP 9 -18.387 0.955 0.955 57 HA ASP 9 HA ASP 9 -18.358 2.335 2.335 58 1HB ASP 9 1HB ASP 9 -20.507 1.865 1.865 59 2HB ASP 9 2HB ASP 9 -20.269 0.142 0.142 60 H LYS 10 H LYS 10 -17.877 -1.036 -1.036 61 HA LYS 10 HA LYS 10 -18.133 -2.105 -2.105 62 1HB LYS 10 1HB LYS 10 -17.582 -3.192 -3.192 63 2HB LYS 10 2HB LYS 10 -15.958 -3.248 -3.248 64 1HG LYS 10 1HG LYS 10 -17.299 -4.356 -4.356 65 2HG LYS 10 2HG LYS 10 -18.472 -4.746 -4.746 66 1HD LYS 10 1HD LYS 10 -16.909 -6.199 -6.199 67 2HD LYS 10 2HD LYS 10 -15.499 -5.414 -5.414 68 1HE LYS 10 1HE LYS 10 -15.646 -7.324 -7.324 69 2HE LYS 10 2HE LYS 10 -16.629 -6.191 -6.191 70 1HZ LYS 10 3HZ LYS 10 -17.937 -7.775 -7.775 71 2HZ LYS 10 1HZ LYS 10 -17.569 -8.500 -8.500 72 3HZ LYS 10 2HZ LYS 10 -18.575 -7.153 -7.153 73 H LEU 11 H LEU 11 -15.381 -0.630 -0.630 74 HA LEU 11 HA LEU 11 -13.875 -0.745 -0.745 75 1HB LEU 11 1HB LEU 11 -13.125 -0.192 -0.192 76 2HB LEU 11 2HB LEU 11 -12.185 0.644 0.644 77 HG LEU 11 HG LEU 11 -10.975 -1.203 -1.203 78 1HD1 LEU 11 2HD1 LEU 11 -12.896 -2.256 -2.256 79 2HD1 LEU 11 3HD1 LEU 11 -13.505 -2.969 -2.969 80 3HD1 LEU 11 1HD1 LEU 11 -11.937 -3.484 -3.484 81 1HD2 LEU 11 2HD2 LEU 11 -12.280 -2.313 -2.313 82 2HD2 LEU 11 3HD2 LEU 11 -10.799 -1.330 -1.330 83 3HD2 LEU 11 1HD2 LEU 11 -10.807 -2.971 -2.971 84 H LYS 12 H LYS 12 -13.999 1.794 1.794 85 HA LYS 12 HA LYS 12 -14.070 4.153 4.153 86 1HB LYS 12 1HB LYS 12 -16.445 3.601 3.601 87 2HB LYS 12 2HB LYS 12 -15.916 3.366 3.366 88 1HG LYS 12 1HG LYS 12 -16.339 5.611 5.611 89 2HG LYS 12 2HG LYS 12 -14.916 5.965 5.965 90 1HD LYS 12 1HD LYS 12 -17.044 5.495 5.495 91 2HD LYS 12 2HD LYS 12 -17.802 6.377 6.377 92 1HE LYS 12 1HE LYS 12 -16.934 8.268 8.268 93 2HE LYS 12 2HE LYS 12 -15.458 7.854 7.854 94 1HZ LYS 12 2HZ LYS 12 -14.907 6.369 6.369 95 2HZ LYS 12 3HZ LYS 12 -16.139 7.152 7.152 96 3HZ LYS 12 1HZ LYS 12 -14.825 8.029 8.029 97 H GLU 13 H GLU 13 -14.528 3.997 3.997 98 HA GLU 13 HA GLU 13 -12.143 5.278 5.278 99 1HB GLU 13 1HB GLU 13 -12.389 3.502 3.502 100 2HB GLU 13 2HB GLU 13 -13.425 4.892 4.892 101 1HG GLU 13 1HG GLU 13 -15.265 3.514 3.514 102 2HG GLU 13 2HG GLU 13 -14.231 2.127 2.127 103 H PHE 14 H PHE 14 -12.300 1.788 1.788 104 HA PHE 14 HA PHE 14 -9.567 1.255 1.255 105 1HB PHE 14 1HB PHE 14 -11.283 -0.482 -0.482 106 2HB PHE 14 2HB PHE 14 -11.790 -0.416 -0.416 107 HD1 PHE 14 HD2 PHE 14 -8.265 -0.844 -0.844 108 HD2 PHE 14 HD1 PHE 14 -11.531 -2.567 -2.567 109 HE1 PHE 14 HE2 PHE 14 -6.930 -2.875 -2.875 110 HE2 PHE 14 HE1 PHE 14 -10.195 -4.593 -4.593 111 HZ PHE 14 HZ PHE 14 -7.902 -4.766 -4.766 112 H GLY 15 H GLY 15 -10.897 2.346 2.346 113 1HA GLY 15 1HA GLY 15 -8.518 1.278 1.278 114 2HA GLY 15 2HA GLY 15 -9.796 2.337 2.337 115 H ASN 16 H ASN 16 -9.809 4.404 4.404 116 HA ASN 16 HA ASN 16 -7.695 6.125 6.125 117 1HB ASN 16 1HB ASN 16 -9.479 7.256 7.256 118 2HB ASN 16 2HB ASN 16 -9.625 6.076 6.076 119 1HD2 ASN 16 1HD2 ASN 16 -8.213 8.621 8.621 120 2HD2 ASN 16 2HD2 ASN 16 -9.651 7.514 7.514 121 H THR 17 H THR 17 -7.834 4.282 4.282 122 HA THR 17 HA THR 17 -5.197 5.203 5.203 123 HB THR 17 HB THR 17 -6.824 2.681 2.681 124 HG1 THR 17 HG1 THR 17 -7.221 3.892 3.892 125 1HG2 THR 17 3HG2 THR 17 -4.363 3.795 3.795 126 2HG2 THR 17 1HG2 THR 17 -5.453 2.512 2.512 127 3HG2 THR 17 2HG2 THR 17 -4.432 2.219 2.219 128 H LEU 18 H LEU 18 -6.196 2.667 2.667 129 HA LEU 18 HA LEU 18 -3.617 1.193 1.193 130 1HB LEU 18 1HB LEU 18 -5.217 -0.323 -0.323 131 2HB LEU 18 2HB LEU 18 -6.213 0.915 0.915 132 HG LEU 18 HG LEU 18 -4.478 0.919 0.919 133 1HD1 LEU 18 3HD2 LEU 18 -2.721 -0.487 -0.487 134 2HD1 LEU 18 1HD2 LEU 18 -3.803 -1.879 -1.879 135 3HD1 LEU 18 2HD2 LEU 18 -3.151 -1.135 -1.135 136 1HD2 LEU 18 2HD1 LEU 18 -6.843 -0.016 -0.016 137 2HD2 LEU 18 3HD1 LEU 18 -5.722 -0.935 -0.935 138 3HD2 LEU 18 1HD1 LEU 18 -6.225 -1.587 -1.587 139 H GLU 19 H GLU 19 -4.782 3.795 3.795 140 HA GLU 19 HA GLU 19 -2.577 3.534 3.534 141 1HB GLU 19 1HB GLU 19 -4.838 4.705 4.705 142 2HB GLU 19 2HB GLU 19 -4.344 5.962 5.962 143 1HG GLU 19 1HG GLU 19 -2.763 6.916 6.916 144 2HG GLU 19 2HG GLU 19 -2.567 5.435 5.435 145 H ASP 20 H ASP 20 -3.154 5.467 5.467 146 HA ASP 20 HA ASP 20 -0.414 6.652 6.652 147 1HB ASP 20 1HB ASP 20 -2.592 7.625 7.625 148 2HB ASP 20 2HB ASP 20 -2.073 6.569 6.569 149 H LYS 21 H LYS 21 -1.708 3.706 3.706 150 HA LYS 21 HA LYS 21 0.391 3.114 3.114 151 1HB LYS 21 1HB LYS 21 -1.912 1.693 1.693 152 2HB LYS 21 2HB LYS 21 -0.557 0.618 0.618 153 1HG LYS 21 1HG LYS 21 -2.497 1.134 1.134 154 2HG LYS 21 2HG LYS 21 -0.846 0.715 0.715 155 1HD LYS 21 1HD LYS 21 -1.306 3.646 3.646 156 2HD LYS 21 2HD LYS 21 -2.320 2.964 2.964 157 1HE LYS 21 1HE LYS 21 0.220 1.739 1.739 158 2HE LYS 21 2HE LYS 21 0.657 3.391 3.391 159 1HZ LYS 21 2HZ LYS 21 -1.591 3.087 3.087 160 2HZ LYS 21 3HZ LYS 21 -0.044 2.784 2.784 161 3HZ LYS 21 1HZ LYS 21 -0.410 4.282 4.282 162 H ALA 22 H ALA 22 -0.168 2.027 2.027 163 HA ALA 22 HA ALA 22 2.562 0.876 0.876 164 1HB ALA 22 2HB ALA 22 0.619 0.171 0.171 165 2HB ALA 22 3HB ALA 22 0.517 1.805 1.805 166 3HB ALA 22 1HB ALA 22 1.942 0.784 0.784 167 H ARG 23 H ARG 23 1.211 4.044 4.044 168 HA ARG 23 HA ARG 23 3.379 5.381 5.381 169 1HB ARG 23 1HB ARG 23 1.438 6.188 6.188 170 2HB ARG 23 2HB ARG 23 2.711 7.305 7.305 171 1HG ARG 23 1HG ARG 23 1.190 6.186 6.186 172 2HG ARG 23 2HG ARG 23 0.171 7.068 7.068 173 1HD ARG 23 1HD ARG 23 0.965 8.679 8.679 174 2HD ARG 23 2HD ARG 23 1.886 9.018 9.018 175 HE ARG 23 HE ARG 23 3.199 7.022 7.022 176 1HH1 ARG 23 2HH2 ARG 23 2.914 10.419 10.419 177 2HH1 ARG 23 1HH2 ARG 23 4.526 10.793 10.793 178 1HH2 ARG 23 1HH1 ARG 23 4.929 7.502 7.502 179 2HH2 ARG 23 2HH1 ARG 23 5.626 9.211 9.211 180 H GLU 24 H GLU 24 3.016 5.580 5.580 181 HA GLU 24 HA GLU 24 5.760 6.304 6.304 182 1HB GLU 24 1HB GLU 24 3.936 6.496 6.496 183 2HB GLU 24 2HB GLU 24 3.692 4.773 4.773 184 1HG GLU 24 1HG GLU 24 6.055 4.455 4.455 185 2HG GLU 24 2HG GLU 24 6.373 6.147 6.147 186 H LEU 25 H LEU 25 4.334 3.075 3.075 187 HA LEU 25 HA LEU 25 6.805 1.740 1.740 188 1HB LEU 25 1HB LEU 25 4.843 0.424 0.424 189 2HB LEU 25 2HB LEU 25 4.200 0.873 0.873 190 HG LEU 25 HG LEU 25 6.591 -0.694 -0.694 191 1HD1 LEU 25 2HD1 LEU 25 6.384 -1.511 -1.511 192 2HD1 LEU 25 3HD1 LEU 25 4.701 -2.012 -2.012 193 3HD1 LEU 25 1HD1 LEU 25 6.042 -2.810 -2.810 194 1HD2 LEU 25 2HD2 LEU 25 3.586 -1.394 -1.394 195 2HD2 LEU 25 3HD2 LEU 25 4.639 -0.661 -0.661 196 3HD2 LEU 25 1HD2 LEU 25 4.933 -2.323 -2.323 197 H ILE 26 H ILE 26 5.700 2.854 2.854 198 HA ILE 26 HA ILE 26 7.782 1.438 1.438 199 HB ILE 26 HB ILE 26 5.832 3.674 3.674 200 1HG1 ILE 26 1HG1 ILE 26 6.685 1.630 1.630 201 2HG1 ILE 26 2HG1 ILE 26 5.723 1.098 1.098 202 1HG2 ILE 26 2HG2 ILE 26 7.930 4.864 4.864 203 2HG2 ILE 26 3HG2 ILE 26 8.345 3.469 3.469 204 3HG2 ILE 26 1HG2 ILE 26 6.910 4.461 4.461 205 1HD1 ILE 26 2HD1 ILE 26 3.899 2.757 2.757 206 2HD1 ILE 26 3HD1 ILE 26 4.793 3.254 3.254 207 3HD1 ILE 26 1HD1 ILE 26 4.200 1.592 1.592 208 H SER 27 H SER 27 7.645 4.546 4.546 209 HA SER 27 HA SER 27 10.349 5.382 5.382 210 1HB SER 27 1HB SER 27 8.936 6.999 6.999 211 2HB SER 27 2HB SER 27 8.575 5.938 5.938 212 HG SER 27 HG SER 27 10.860 6.098 6.098 213 H ARG 28 H ARG 28 9.169 3.027 3.027 214 HA ARG 28 HA ARG 28 11.904 2.582 2.582 215 1HB ARG 28 1HB ARG 28 9.944 2.117 2.117 216 2HB ARG 28 2HB ARG 28 9.199 1.101 1.101 217 1HG ARG 28 1HG ARG 28 11.428 -0.440 -0.440 218 2HG ARG 28 2HG ARG 28 11.572 0.466 0.466 219 1HD ARG 28 1HD ARG 28 8.893 -0.232 -0.232 220 2HD ARG 28 2HD ARG 28 9.503 -1.581 -1.581 221 HE ARG 28 HE ARG 28 11.158 -0.871 -0.871 222 1HH1 ARG 28 2HH2 ARG 28 8.736 -2.997 -2.997 223 2HH1 ARG 28 1HH2 ARG 28 9.031 -4.259 -4.259 224 1HH2 ARG 28 1HH1 ARG 28 11.424 -2.284 -2.284 225 2HH2 ARG 28 2HH1 ARG 28 10.493 -3.879 -3.879 226 H ILE 29 H ILE 29 10.081 1.458 1.458 227 HA ILE 29 HA ILE 29 11.472 -1.174 -1.174 228 HB ILE 29 HB ILE 29 9.454 0.309 0.309 229 1HG1 ILE 29 1HG1 ILE 29 8.069 -1.135 -1.135 230 2HG1 ILE 29 2HG1 ILE 29 8.672 -2.364 -2.364 231 1HG2 ILE 29 2HG2 ILE 29 11.094 -0.459 -0.459 232 2HG2 ILE 29 3HG2 ILE 29 11.030 -2.119 -2.119 233 3HG2 ILE 29 1HG2 ILE 29 9.609 -1.366 -1.366 234 1HD1 ILE 29 2HD1 ILE 29 10.427 -3.093 -3.093 235 2HD1 ILE 29 3HD1 ILE 29 9.778 -1.932 -1.932 236 3HD1 ILE 29 1HD1 ILE 29 8.766 -3.268 -3.268 237 H LYS 30 H LYS 30 11.875 2.002 2.002 238 HA LYS 30 HA LYS 30 13.732 1.313 1.313 239 1HB LYS 30 1HB LYS 30 13.398 3.572 3.572 240 2HB LYS 30 2HB LYS 30 12.769 3.742 3.742 241 1HG LYS 30 1HG LYS 30 15.804 3.482 3.482 242 2HG LYS 30 2HG LYS 30 15.092 4.957 4.957 243 1HD LYS 30 1HD LYS 30 13.982 4.388 4.388 244 2HD LYS 30 2HD LYS 30 15.751 4.254 4.254 245 1HE LYS 30 1HE LYS 30 14.102 6.685 6.685 246 2HE LYS 30 2HE LYS 30 15.235 6.641 6.641 247 1HZ LYS 30 1HZ LYS 30 16.895 5.866 5.866 248 2HZ LYS 30 2HZ LYS 30 15.812 6.649 6.649 249 3HZ LYS 30 3HZ LYS 30 16.548 7.496 7.496 250 H GLN 31 H GLN 31 14.217 1.869 1.869 251 HA GLN 31 HA GLN 31 17.184 1.378 1.378 252 1HB GLN 31 1HB GLN 31 15.635 2.927 2.927 253 2HB GLN 31 2HB GLN 31 15.941 1.509 1.509 254 1HG GLN 31 1HG GLN 31 18.544 1.976 1.976 255 2HG GLN 31 2HG GLN 31 17.936 3.594 3.594 256 1HE2 GLN 31 2HE2 GLN 31 18.198 4.304 4.304 257 2HE2 GLN 31 1HE2 GLN 31 17.739 4.895 4.895 258 H SER 32 H SER 32 15.813 -0.732 -0.732 259 HA SER 32 HA SER 32 17.223 -2.762 -2.762 260 1HB SER 32 1HB SER 32 14.204 -2.523 -2.523 261 2HB SER 32 2HB SER 32 14.836 -4.155 -4.155 262 HG SER 32 HG SER 32 15.891 -3.931 -3.931 263 H GLU 33 H GLU 33 17.333 -1.725 -1.725 264 HA GLU 33 HA GLU 33 16.463 -4.203 -4.203 265 1HB GLU 33 1HB GLU 33 15.967 -1.299 -1.299 266 2HB GLU 33 2HB GLU 33 16.817 -1.931 -1.931 267 1HG GLU 33 1HG GLU 33 14.661 -3.819 -3.819 268 2HG GLU 33 2HG GLU 33 13.954 -2.240 -2.240 269 H LEU 34 H LEU 34 18.954 -3.628 -3.628 270 HA LEU 34 HA LEU 34 20.787 -3.816 -3.816 271 1HB LEU 34 1HB LEU 34 22.661 -3.338 -3.338 272 2HB LEU 34 2HB LEU 34 21.643 -1.997 -1.997 273 HG LEU 34 HG LEU 34 21.063 -3.584 -3.584 274 1HD1 LEU 34 2HD1 LEU 34 23.447 -2.796 -2.796 275 2HD1 LEU 34 3HD1 LEU 34 22.935 -1.132 -1.132 276 3HD1 LEU 34 1HD1 LEU 34 22.438 -1.903 -1.903 277 1HD2 LEU 34 2HD2 LEU 34 20.347 -0.695 -0.695 278 2HD2 LEU 34 3HD2 LEU 34 19.224 -2.066 -2.066 279 3HD2 LEU 34 1HD2 LEU 34 20.013 -1.391 -1.391 280 H SER 35 H SER 35 19.872 -5.233 -5.233 281 HA SER 35 HA SER 35 20.587 -7.257 -7.257 282 1HB SER 35 1HB SER 35 19.397 -7.900 -7.900 283 2HB SER 35 2HB SER 35 20.951 -8.684 -8.684 284 HG SER 35 HG SER 35 20.449 -9.500 -9.500 285 H ALA 36 H ALA 36 22.573 -5.339 -5.339 286 HA ALA 36 HA ALA 36 24.915 -5.281 -5.281 287 1HB ALA 36 2HB ALA 36 24.334 -6.998 -6.998 288 2HB ALA 36 3HB ALA 36 24.495 -8.310 -8.310 289 3HB ALA 36 1HB ALA 36 25.921 -7.363 -7.363 290 H LYS 37 H LYS 37 24.360 -5.069 -5.069 291 HA LYS 37 HA LYS 37 25.401 -5.252 -5.252 292 1HB LYS 37 1HB LYS 37 27.471 -5.307 -5.307 293 2HB LYS 37 2HB LYS 37 27.795 -6.797 -6.797 294 1HG LYS 37 1HG LYS 37 27.800 -5.461 -5.461 295 2HG LYS 37 2HG LYS 37 27.514 -3.986 -3.986 296 1HD LYS 37 1HD LYS 37 29.742 -3.924 -3.924 297 2HD LYS 37 2HD LYS 37 29.902 -5.691 -5.691 298 1HE LYS 37 1HE LYS 37 30.447 -5.865 -5.865 299 2HE LYS 37 2HE LYS 37 29.406 -4.515 -4.515 300 1HZ LYS 37 2HZ LYS 37 31.104 -3.126 -3.126 301 2HZ LYS 37 3HZ LYS 37 32.128 -4.432 -4.432 302 3HZ LYS 37 1HZ LYS 37 31.467 -3.596 -3.596 303 H MET 38 H MET 38 23.630 -7.268 -7.268 304 HA MET 38 HA MET 38 24.420 -9.904 -9.904 305 1HB MET 38 1HB MET 38 21.988 -8.642 -8.642 306 2HB MET 38 2HB MET 38 21.704 -9.020 -9.020 307 1HG MET 38 1HG MET 38 22.804 -11.319 -11.319 308 2HG MET 38 2HG MET 38 21.159 -10.766 -10.766 309 1HE MET 38 1HE MET 38 21.683 -13.426 -13.426 310 2HE MET 38 3HE MET 38 19.951 -13.235 -13.235 311 3HE MET 38 2HE MET 38 21.066 -14.029 -14.029 Start of MODEL 14 1 1H THR 1 1H THR 1 -19.180 -6.048 -6.048 2 2H THR 1 2H THR 1 -18.125 -7.355 -7.355 3 3H THR 1 3H THR 1 -19.747 -7.605 -7.605 4 HA THR 1 HA THR 1 -19.657 -8.246 -8.246 5 HB THR 1 HB THR 1 -17.250 -6.767 -6.767 6 HG1 THR 1 HG1 THR 1 -17.073 -7.597 -7.597 7 1HG2 THR 1 3HG2 THR 1 -19.076 -5.533 -5.533 8 2HG2 THR 1 1HG2 THR 1 -17.307 -5.351 -5.351 9 3HG2 THR 1 2HG2 THR 1 -18.327 -4.631 -4.631 10 HA PRO 2 HA PRO 2 -23.143 -6.013 -6.013 11 1HB PRO 2 1HB PRO 2 -21.633 -5.837 -5.837 12 2HB PRO 2 2HB PRO 2 -23.397 -6.415 -6.415 13 1HG PRO 2 1HG PRO 2 -21.279 -8.215 -8.215 14 2HG PRO 2 2HG PRO 2 -22.657 -8.406 -8.406 15 1HD PRO 2 1HD PRO 2 -19.750 -7.324 -7.324 16 2HD PRO 2 2HD PRO 2 -20.505 -8.589 -8.589 17 H ASP 3 H ASP 3 -23.665 -4.269 -4.269 18 HA ASP 3 HA ASP 3 -22.858 -1.734 -1.734 19 1HB ASP 3 1HB ASP 3 -24.741 -2.231 -2.231 20 2HB ASP 3 2HB ASP 3 -23.481 -2.272 -2.272 21 H VAL 4 H VAL 4 -20.929 -1.277 -1.277 22 HA VAL 4 HA VAL 4 -18.738 -1.842 -1.842 23 HB VAL 4 HB VAL 4 -18.328 -2.658 -2.658 24 1HG1 VAL 4 1HG2 VAL 4 -18.617 0.228 0.228 25 2HG1 VAL 4 2HG2 VAL 4 -18.035 -1.181 -1.181 26 3HG1 VAL 4 3HG2 VAL 4 -19.695 -1.143 -1.143 27 1HG2 VAL 4 2HG1 VAL 4 -16.274 -1.764 -1.764 28 2HG2 VAL 4 3HG1 VAL 4 -16.142 -1.627 -1.627 29 3HG2 VAL 4 1HG1 VAL 4 -16.509 -0.182 -0.182 30 H SER 5 H SER 5 -20.453 0.761 0.761 31 HA SER 5 HA SER 5 -18.689 2.934 2.934 32 1HB SER 5 1HB SER 5 -21.080 2.899 2.899 33 2HB SER 5 2HB SER 5 -21.725 3.256 3.256 34 HG SER 5 HG SER 5 -21.269 5.227 5.227 35 H SER 6 H SER 6 -21.350 1.591 1.591 36 HA SER 6 HA SER 6 -20.016 2.887 2.887 37 1HB SER 6 1HB SER 6 -22.731 1.589 1.589 38 2HB SER 6 2HB SER 6 -22.134 3.075 3.075 39 HG SER 6 HG SER 6 -23.763 2.921 2.921 40 H ALA 7 H ALA 7 -19.012 0.551 0.551 41 HA ALA 7 HA ALA 7 -19.374 -1.439 -1.439 42 1HB ALA 7 2HB ALA 7 -19.458 -2.310 -2.310 43 2HB ALA 7 3HB ALA 7 -17.835 -1.654 -1.654 44 3HB ALA 7 1HB ALA 7 -18.048 -2.987 -2.987 45 H LEU 8 H LEU 8 -17.216 0.950 0.950 46 HA LEU 8 HA LEU 8 -14.959 0.067 0.067 47 1HB LEU 8 1HB LEU 8 -15.000 1.730 1.730 48 2HB LEU 8 2HB LEU 8 -15.388 2.955 2.955 49 HG LEU 8 HG LEU 8 -12.932 2.750 2.750 50 1HD1 LEU 8 2HD1 LEU 8 -13.669 4.027 4.027 51 2HD1 LEU 8 3HD1 LEU 8 -13.561 2.552 2.552 52 3HD1 LEU 8 1HD1 LEU 8 -12.094 3.257 3.257 53 1HD2 LEU 8 2HD2 LEU 8 -13.015 0.223 0.223 54 2HD2 LEU 8 3HD2 LEU 8 -12.610 0.289 0.289 55 3HD2 LEU 8 1HD2 LEU 8 -11.525 1.034 1.034 56 H ASP 9 H ASP 9 -17.765 2.104 2.104 57 HA ASP 9 HA ASP 9 -17.229 3.320 3.320 58 1HB ASP 9 1HB ASP 9 -19.437 3.481 3.481 59 2HB ASP 9 2HB ASP 9 -19.887 1.913 1.913 60 H LYS 10 H LYS 10 -18.115 -0.012 -0.012 61 HA LYS 10 HA LYS 10 -18.705 -0.754 -0.754 62 1HB LYS 10 1HB LYS 10 -17.338 -2.565 -2.565 63 2HB LYS 10 2HB LYS 10 -18.282 -3.111 -3.111 64 1HG LYS 10 1HG LYS 10 -20.199 -1.512 -1.512 65 2HG LYS 10 2HG LYS 10 -19.226 -1.883 -1.883 66 1HD LYS 10 1HD LYS 10 -20.961 -3.535 -3.535 67 2HD LYS 10 2HD LYS 10 -19.529 -4.395 -4.395 68 1HE LYS 10 1HE LYS 10 -20.218 -4.267 -4.267 69 2HE LYS 10 2HE LYS 10 -21.336 -2.925 -2.925 70 1HZ LYS 10 1HZ LYS 10 -22.520 -4.586 -4.586 71 2HZ LYS 10 2HZ LYS 10 -21.668 -5.768 -5.768 72 3HZ LYS 10 3HZ LYS 10 -22.715 -4.742 -4.742 73 H LEU 11 H LEU 11 -15.664 -0.571 -0.571 74 HA LEU 11 HA LEU 11 -14.095 -1.659 -1.659 75 1HB LEU 11 1HB LEU 11 -12.818 0.163 0.163 76 2HB LEU 11 2HB LEU 11 -12.156 -1.260 -1.260 77 HG LEU 11 HG LEU 11 -13.958 -1.055 -1.055 78 1HD1 LEU 11 2HD1 LEU 11 -11.464 -1.225 -1.225 79 2HD1 LEU 11 3HD1 LEU 11 -11.454 -2.758 -2.758 80 3HD1 LEU 11 1HD1 LEU 11 -12.268 -2.655 -2.655 81 1HD2 LEU 11 2HD2 LEU 11 -13.758 -3.604 -3.604 82 2HD2 LEU 11 3HD2 LEU 11 -15.232 -2.679 -2.679 83 3HD2 LEU 11 1HD2 LEU 11 -14.401 -3.557 -3.557 84 H LYS 12 H LYS 12 -13.959 1.553 1.553 85 HA LYS 12 HA LYS 12 -12.631 3.320 3.320 86 1HB LYS 12 1HB LYS 12 -15.417 3.389 3.389 87 2HB LYS 12 2HB LYS 12 -15.125 3.601 3.601 88 1HG LYS 12 1HG LYS 12 -14.667 5.834 5.834 89 2HG LYS 12 2HG LYS 12 -13.263 5.384 5.384 90 1HD LYS 12 1HD LYS 12 -15.494 5.031 5.031 91 2HD LYS 12 2HD LYS 12 -15.927 6.456 6.456 92 1HE LYS 12 1HE LYS 12 -13.136 6.137 6.137 93 2HE LYS 12 2HE LYS 12 -14.477 6.955 6.955 94 1HZ LYS 12 2HZ LYS 12 -13.998 7.788 7.788 95 2HZ LYS 12 3HZ LYS 12 -12.803 8.191 8.191 96 3HZ LYS 12 1HZ LYS 12 -14.387 8.699 8.699 97 H GLU 13 H GLU 13 -11.254 1.610 1.610 98 HA GLU 13 HA GLU 13 -10.547 2.345 2.345 99 1HB GLU 13 1HB GLU 13 -12.951 1.792 1.792 100 2HB GLU 13 2HB GLU 13 -12.713 0.142 0.142 101 1HG GLU 13 1HG GLU 13 -12.625 0.518 0.518 102 2HG GLU 13 2HG GLU 13 -11.287 -0.398 -0.398 103 H PHE 14 H PHE 14 -11.484 -1.016 -1.016 104 HA PHE 14 HA PHE 14 -8.948 -2.200 -2.200 105 1HB PHE 14 1HB PHE 14 -10.789 -3.707 -3.707 106 2HB PHE 14 2HB PHE 14 -11.515 -2.821 -2.821 107 HD1 PHE 14 HD1 PHE 14 -8.716 -5.144 -5.144 108 HD2 PHE 14 HD2 PHE 14 -11.007 -3.395 -3.395 109 HE1 PHE 14 HE1 PHE 14 -7.864 -6.854 -6.854 110 HE2 PHE 14 HE2 PHE 14 -10.127 -5.095 -5.095 111 HZ PHE 14 HZ PHE 14 -8.571 -6.840 -6.840 112 H GLY 15 H GLY 15 -9.973 -0.017 -0.017 113 1HA GLY 15 1HA GLY 15 -7.927 -1.283 -1.283 114 2HA GLY 15 2HA GLY 15 -9.216 -0.158 -0.158 115 H ASN 16 H ASN 16 -8.823 1.623 1.623 116 HA ASN 16 HA ASN 16 -6.713 3.367 3.367 117 1HB ASN 16 1HB ASN 16 -8.273 4.434 4.434 118 2HB ASN 16 2HB ASN 16 -8.297 3.120 3.120 119 1HD2 ASN 16 1HD2 ASN 16 -6.404 5.362 5.362 120 2HD2 ASN 16 2HD2 ASN 16 -7.983 4.430 4.430 121 H THR 17 H THR 17 -6.673 0.742 0.742 122 HA THR 17 HA THR 17 -3.984 1.280 1.280 123 HB THR 17 HB THR 17 -5.584 -1.355 -1.355 124 HG1 THR 17 HG1 THR 17 -5.889 -0.967 -0.967 125 1HG2 THR 17 3HG2 THR 17 -3.050 -0.879 -0.879 126 2HG2 THR 17 1HG2 THR 17 -4.111 -2.307 -2.307 127 3HG2 THR 17 2HG2 THR 17 -3.162 -2.013 -2.013 128 H LEU 18 H LEU 18 -5.121 -0.249 -0.249 129 HA LEU 18 HA LEU 18 -2.509 -1.557 -1.557 130 1HB LEU 18 1HB LEU 18 -4.641 -0.821 -0.821 131 2HB LEU 18 2HB LEU 18 -3.464 -2.117 -2.117 132 HG LEU 18 HG LEU 18 -6.084 -1.997 -1.997 133 1HD1 LEU 18 2HD1 LEU 18 -6.037 -2.960 -2.960 134 2HD1 LEU 18 3HD1 LEU 18 -4.802 -4.144 -4.144 135 3HD1 LEU 18 1HD1 LEU 18 -6.436 -4.208 -4.208 136 1HD2 LEU 18 2HD2 LEU 18 -3.770 -3.958 -3.958 137 2HD2 LEU 18 3HD2 LEU 18 -4.499 -2.763 -2.763 138 3HD2 LEU 18 1HD2 LEU 18 -5.456 -4.145 -4.145 139 H GLU 19 H GLU 19 -4.102 1.395 1.395 140 HA GLU 19 HA GLU 19 -1.869 2.153 2.153 141 1HB GLU 19 1HB GLU 19 -4.304 2.960 2.960 142 2HB GLU 19 2HB GLU 19 -4.061 3.879 3.879 143 1HG GLU 19 1HG GLU 19 -2.044 4.579 4.579 144 2HG GLU 19 2HG GLU 19 -3.683 4.806 4.806 145 H ASP 20 H ASP 20 -2.467 2.448 2.448 146 HA ASP 20 HA ASP 20 -0.081 4.294 4.294 147 1HB ASP 20 1HB ASP 20 -2.387 4.209 4.209 148 2HB ASP 20 2HB ASP 20 -1.420 3.078 3.078 149 H LYS 21 H LYS 21 -0.776 0.984 0.984 150 HA LYS 21 HA LYS 21 1.548 0.207 0.207 151 1HB LYS 21 1HB LYS 21 -0.546 -1.205 -1.205 152 2HB LYS 21 2HB LYS 21 0.972 -2.069 -2.069 153 1HG LYS 21 1HG LYS 21 -1.171 -2.145 -2.145 154 2HG LYS 21 2HG LYS 21 0.481 -2.630 -2.630 155 1HD LYS 21 1HD LYS 21 -0.177 0.316 0.316 156 2HD LYS 21 2HD LYS 21 -1.017 -0.776 -0.776 157 1HE LYS 21 1HE LYS 21 1.806 -1.625 -1.625 158 2HE LYS 21 2HE LYS 21 1.762 0.101 0.101 159 1HZ LYS 21 1HZ LYS 21 -0.144 -0.767 -0.767 160 2HZ LYS 21 2HZ LYS 21 0.789 -2.164 -2.164 161 3HZ LYS 21 3HZ LYS 21 1.480 -0.717 -0.717 162 H ALA 22 H ALA 22 0.944 0.847 0.847 163 HA ALA 22 HA ALA 22 3.691 -0.120 -0.120 164 1HB ALA 22 2HB ALA 22 1.735 -0.285 -0.285 165 2HB ALA 22 3HB ALA 22 1.536 1.483 1.483 166 3HB ALA 22 1HB ALA 22 2.994 0.755 0.755 167 H ARG 23 H ARG 23 2.126 2.856 2.856 168 HA ARG 23 HA ARG 23 4.260 4.590 4.590 169 1HB ARG 23 1HB ARG 23 1.815 4.901 4.901 170 2HB ARG 23 2HB ARG 23 3.047 6.133 6.133 171 1HG ARG 23 1HG ARG 23 1.284 6.825 6.825 172 2HG ARG 23 2HG ARG 23 2.876 6.749 6.749 173 1HD ARG 23 1HD ARG 23 1.529 4.112 4.112 174 2HD ARG 23 2HD ARG 23 0.478 5.404 5.404 175 HE ARG 23 HE ARG 23 3.306 5.661 5.661 176 1HH1 ARG 23 2HH2 ARG 23 0.269 4.173 4.173 177 2HH1 ARG 23 1HH2 ARG 23 0.737 3.967 3.967 178 1HH2 ARG 23 1HH1 ARG 23 3.742 5.404 5.404 179 2HH2 ARG 23 2HH1 ARG 23 2.625 4.632 4.632 180 H GLU 24 H GLU 24 3.369 3.874 3.874 181 HA GLU 24 HA GLU 24 5.858 4.806 4.806 182 1HB GLU 24 1HB GLU 24 3.843 4.292 4.292 183 2HB GLU 24 2HB GLU 24 3.883 2.608 2.608 184 1HG GLU 24 1HG GLU 24 6.141 2.342 2.342 185 2HG GLU 24 2HG GLU 24 6.194 4.043 4.043 186 H LEU 25 H LEU 25 4.986 1.555 1.555 187 HA LEU 25 HA LEU 25 7.546 0.338 0.338 188 1HB LEU 25 1HB LEU 25 5.624 -1.061 -1.061 189 2HB LEU 25 2HB LEU 25 5.501 -0.269 -0.269 190 HG LEU 25 HG LEU 25 8.126 -1.404 -1.404 191 1HD1 LEU 25 2HD1 LEU 25 7.480 -2.752 -2.752 192 2HD1 LEU 25 3HD1 LEU 25 6.069 -3.410 -3.410 193 3HD1 LEU 25 1HD1 LEU 25 7.718 -3.796 -3.796 194 1HD2 LEU 25 2HD2 LEU 25 5.506 -2.443 -2.443 195 2HD2 LEU 25 3HD2 LEU 25 6.678 -1.311 -1.311 196 3HD2 LEU 25 1HD2 LEU 25 7.150 -2.989 -2.989 197 H ILE 26 H ILE 26 6.625 2.399 2.399 198 HA ILE 26 HA ILE 26 9.025 1.782 1.782 199 HB ILE 26 HB ILE 26 6.794 3.808 3.808 200 1HG1 ILE 26 1HG1 ILE 26 8.087 2.695 2.695 201 2HG1 ILE 26 2HG1 ILE 26 7.220 1.578 1.578 202 1HG2 ILE 26 2HG2 ILE 26 8.747 5.426 5.426 203 2HG2 ILE 26 3HG2 ILE 26 9.454 4.468 4.468 204 3HG2 ILE 26 1HG2 ILE 26 7.918 5.337 5.337 205 1HD1 ILE 26 2HD1 ILE 26 5.115 2.960 2.960 206 2HD1 ILE 26 3HD1 ILE 26 5.923 4.065 4.065 207 3HD1 ILE 26 1HD1 ILE 26 5.671 2.368 2.368 208 H SER 27 H SER 27 8.243 4.101 4.101 209 HA SER 27 HA SER 27 10.807 5.501 5.501 210 1HB SER 27 1HB SER 27 9.062 6.469 6.469 211 2HB SER 27 2HB SER 27 8.766 4.987 4.987 212 HG SER 27 HG SER 27 10.101 5.815 5.815 213 H ARG 28 H ARG 28 9.879 2.393 2.393 214 HA ARG 28 HA ARG 28 12.560 1.998 1.998 215 1HB ARG 28 1HB ARG 28 10.374 0.889 0.889 216 2HB ARG 28 2HB ARG 28 10.327 -0.042 -0.042 217 1HG ARG 28 1HG ARG 28 12.845 -0.816 -0.816 218 2HG ARG 28 2HG ARG 28 12.192 -0.327 -0.327 219 1HD ARG 28 1HD ARG 28 10.116 -1.861 -1.861 220 2HD ARG 28 2HD ARG 28 11.141 -2.506 -2.506 221 HE ARG 28 HE ARG 28 11.534 -2.865 -2.865 222 1HH1 ARG 28 2HH2 ARG 28 13.051 -3.133 -3.133 223 2HH1 ARG 28 1HH2 ARG 28 14.332 -4.300 -4.300 224 1HH2 ARG 28 1HH1 ARG 28 12.951 -4.130 -4.130 225 2HH2 ARG 28 2HH1 ARG 28 14.283 -4.845 -4.845 226 H ILE 29 H ILE 29 11.164 1.582 1.582 227 HA ILE 29 HA ILE 29 13.045 -0.623 -0.623 228 HB ILE 29 HB ILE 29 10.816 0.903 0.903 229 1HG1 ILE 29 1HG1 ILE 29 9.714 -1.018 -1.018 230 2HG1 ILE 29 2HG1 ILE 29 10.577 -1.749 -1.749 231 1HG2 ILE 29 2HG2 ILE 29 12.629 0.994 0.994 232 2HG2 ILE 29 3HG2 ILE 29 12.874 -0.764 -0.764 233 3HG2 ILE 29 1HG2 ILE 29 11.356 -0.094 -0.094 234 1HD1 ILE 29 2HD1 ILE 29 12.396 -2.594 -2.594 235 2HD1 ILE 29 3HD1 ILE 29 11.497 -1.964 -1.964 236 3HD1 ILE 29 1HD1 ILE 29 10.786 -3.236 -3.236 237 H LYS 30 H LYS 30 12.915 2.826 2.826 238 HA LYS 30 HA LYS 30 14.915 2.985 2.985 239 1HB LYS 30 1HB LYS 30 13.314 4.913 4.913 240 2HB LYS 30 2HB LYS 30 14.845 5.543 5.543 241 1HG LYS 30 1HG LYS 30 12.993 6.099 6.099 242 2HG LYS 30 2HG LYS 30 14.170 5.046 5.046 243 1HD LYS 30 1HD LYS 30 12.310 3.210 3.210 244 2HD LYS 30 2HD LYS 30 11.279 4.616 4.616 245 1HE LYS 30 1HE LYS 30 13.266 4.125 4.125 246 2HE LYS 30 2HE LYS 30 12.173 2.752 2.752 247 1HZ LYS 30 3HZ LYS 30 11.011 5.452 5.452 248 2HZ LYS 30 1HZ LYS 30 11.472 4.782 4.782 249 3HZ LYS 30 2HZ LYS 30 10.342 3.995 3.995 250 H GLN 31 H GLN 31 14.909 3.115 3.115 251 HA GLN 31 HA GLN 31 17.766 4.107 4.107 252 1HB GLN 31 1HB GLN 31 15.533 4.552 4.552 253 2HB GLN 31 2HB GLN 31 16.386 3.330 3.330 254 1HG GLN 31 1HG GLN 31 18.509 5.066 5.066 255 2HG GLN 31 2HG GLN 31 17.203 6.216 6.216 256 1HE2 GLN 31 2HE2 GLN 31 17.355 4.600 4.600 257 2HE2 GLN 31 1HE2 GLN 31 17.280 3.486 3.486 258 H SER 32 H SER 32 17.095 1.427 1.427 259 HA SER 32 HA SER 32 19.432 0.160 0.160 260 1HB SER 32 1HB SER 32 16.714 -0.504 -0.504 261 2HB SER 32 2HB SER 32 17.573 -1.946 -1.946 262 HG SER 32 HG SER 32 19.387 -1.090 -1.090 263 H GLU 33 H GLU 33 18.354 0.891 0.891 264 HA GLU 33 HA GLU 33 19.076 -1.819 -1.819 265 1HB GLU 33 1HB GLU 33 16.526 -0.292 -0.292 266 2HB GLU 33 2HB GLU 33 17.245 -0.412 -0.412 267 1HG GLU 33 1HG GLU 33 17.358 -3.096 -3.096 268 2HG GLU 33 2HG GLU 33 15.769 -2.464 -2.464 269 H LEU 34 H LEU 34 20.363 0.921 0.921 270 HA LEU 34 HA LEU 34 21.153 1.449 1.449 271 1HB LEU 34 1HB LEU 34 22.719 3.158 3.158 272 2HB LEU 34 2HB LEU 34 21.142 3.303 3.303 273 HG LEU 34 HG LEU 34 23.392 1.685 1.685 274 1HD1 LEU 34 2HD1 LEU 34 24.241 4.017 4.017 275 2HD1 LEU 34 3HD1 LEU 34 22.812 4.707 4.707 276 3HD1 LEU 34 1HD1 LEU 34 23.989 3.742 3.742 277 1HD2 LEU 34 2HD2 LEU 34 20.871 3.036 3.036 278 2HD2 LEU 34 3HD2 LEU 34 21.174 1.288 1.288 279 3HD2 LEU 34 1HD2 LEU 34 22.151 2.241 2.241 280 H SER 35 H SER 35 22.683 -0.044 -0.044 281 HA SER 35 HA SER 35 24.235 -1.770 -1.770 282 1HB SER 35 1HB SER 35 26.072 -0.311 -0.311 283 2HB SER 35 2HB SER 35 26.495 -1.131 -1.131 284 HG SER 35 HG SER 35 26.093 1.431 1.431 285 H ALA 36 H ALA 36 22.180 -2.017 -2.017 286 HA ALA 36 HA ALA 36 22.926 -2.312 -2.312 287 1HB ALA 36 2HB ALA 36 20.554 -2.112 -2.112 288 2HB ALA 36 3HB ALA 36 20.656 -3.712 -3.712 289 3HB ALA 36 1HB ALA 36 20.705 -3.569 -3.569 290 H LYS 37 H LYS 37 22.136 -4.978 -4.978 291 HA LYS 37 HA LYS 37 24.538 -6.460 -6.460 292 1HB LYS 37 1HB LYS 37 22.991 -7.931 -7.931 293 2HB LYS 37 2HB LYS 37 21.665 -7.228 -7.228 294 1HG LYS 37 1HG LYS 37 22.799 -8.599 -8.599 295 2HG LYS 37 2HG LYS 37 23.534 -9.537 -9.537 296 1HD LYS 37 1HD LYS 37 20.727 -9.315 -9.315 297 2HD LYS 37 2HD LYS 37 20.800 -9.576 -9.576 298 1HE LYS 37 1HE LYS 37 21.942 -11.377 -11.377 299 2HE LYS 37 2HE LYS 37 20.851 -11.835 -11.835 300 1HZ LYS 37 2HZ LYS 37 22.963 -10.865 -10.865 301 2HZ LYS 37 3HZ LYS 37 23.724 -11.549 -11.549 302 3HZ LYS 37 1HZ LYS 37 22.717 -12.488 -12.488 303 H MET 38 H MET 38 23.286 -5.070 -5.070 304 HA MET 38 HA MET 38 23.905 -7.353 -7.353 305 1HB MET 38 1HB MET 38 22.259 -4.965 -4.965 306 2HB MET 38 2HB MET 38 23.507 -4.717 -4.717 307 1HG MET 38 1HG MET 38 22.343 -7.455 -7.455 308 2HG MET 38 2HG MET 38 21.114 -6.179 -6.179 309 1HE MET 38 1HE MET 38 20.410 -6.604 -6.604 310 2HE MET 38 3HE MET 38 21.248 -6.273 -6.273 311 3HE MET 38 2HE MET 38 21.527 -7.821 -7.821 Start of MODEL 15 1 1H THR 1 3H THR 1 -20.703 -9.710 -9.710 2 2H THR 1 1H THR 1 -20.095 -10.890 -10.890 3 3H THR 1 2H THR 1 -21.630 -11.064 -11.064 4 HA THR 1 HA THR 1 -22.106 -10.407 -10.407 5 HB THR 1 HB THR 1 -19.419 -9.538 -9.538 6 HG1 THR 1 HG1 THR 1 -19.854 -9.088 -9.088 7 1HG2 THR 1 3HG2 THR 1 -21.172 -7.049 -7.049 8 2HG2 THR 1 1HG2 THR 1 -19.436 -7.209 -7.209 9 3HG2 THR 1 2HG2 THR 1 -19.975 -7.161 -7.161 10 HA PRO 2 HA PRO 2 -25.009 -7.208 -7.208 11 1HB PRO 2 1HB PRO 2 -24.013 -5.854 -5.854 12 2HB PRO 2 2HB PRO 2 -25.773 -6.269 -6.269 13 1HG PRO 2 1HG PRO 2 -24.371 -7.837 -7.837 14 2HG PRO 2 2HG PRO 2 -25.493 -8.493 -8.493 15 1HD PRO 2 1HD PRO 2 -22.442 -8.040 -8.040 16 2HD PRO 2 2HD PRO 2 -23.317 -9.582 -9.582 17 H ASP 3 H ASP 3 -25.243 -4.648 -4.648 18 HA ASP 3 HA ASP 3 -23.734 -3.268 -3.268 19 1HB ASP 3 1HB ASP 3 -25.750 -2.238 -2.238 20 2HB ASP 3 2HB ASP 3 -24.911 -2.186 -2.186 21 H VAL 4 H VAL 4 -21.733 -3.366 -3.366 22 HA VAL 4 HA VAL 4 -19.886 -2.958 -2.958 23 HB VAL 4 HB VAL 4 -19.653 -4.933 -4.933 24 1HG1 VAL 4 1HG2 VAL 4 -18.281 -2.771 -2.771 25 2HG1 VAL 4 2HG2 VAL 4 -18.180 -4.532 -4.532 26 3HG1 VAL 4 3HG2 VAL 4 -19.722 -3.718 -3.718 27 1HG2 VAL 4 2HG1 VAL 4 -17.828 -4.414 -4.414 28 2HG2 VAL 4 3HG1 VAL 4 -17.175 -5.011 -5.011 29 3HG2 VAL 4 1HG1 VAL 4 -17.092 -3.271 -3.271 30 H SER 5 H SER 5 -21.458 -0.848 -0.848 31 HA SER 5 HA SER 5 -19.146 0.940 0.940 32 1HB SER 5 1HB SER 5 -22.152 1.067 1.067 33 2HB SER 5 2HB SER 5 -21.338 2.612 2.612 34 HG SER 5 HG SER 5 -19.793 1.446 1.446 35 H SER 6 H SER 6 -21.582 0.407 0.407 36 HA SER 6 HA SER 6 -19.972 2.349 2.349 37 1HB SER 6 1HB SER 6 -21.929 3.221 3.221 38 2HB SER 6 2HB SER 6 -22.336 3.257 3.257 39 HG SER 6 HG SER 6 -24.044 2.252 2.252 40 H ALA 7 H ALA 7 -19.568 -0.394 -0.394 41 HA ALA 7 HA ALA 7 -20.278 -1.449 -1.449 42 1HB ALA 7 2HB ALA 7 -20.744 -2.980 -2.980 43 2HB ALA 7 3HB ALA 7 -19.043 -2.879 -2.879 44 3HB ALA 7 1HB ALA 7 -19.471 -3.680 -3.680 45 H LEU 8 H LEU 8 -17.715 -0.235 -0.235 46 HA LEU 8 HA LEU 8 -15.565 -0.997 -0.997 47 1HB LEU 8 1HB LEU 8 -15.169 -0.280 -0.280 48 2HB LEU 8 2HB LEU 8 -15.696 1.342 1.342 49 HG LEU 8 HG LEU 8 -13.316 0.116 0.116 50 1HD1 LEU 8 2HD1 LEU 8 -12.883 -0.245 -0.245 51 2HD1 LEU 8 3HD1 LEU 8 -13.192 1.478 1.478 52 3HD1 LEU 8 1HD1 LEU 8 -11.796 0.991 0.991 53 1HD2 LEU 8 2HD2 LEU 8 -14.052 3.032 3.032 54 2HD2 LEU 8 3HD2 LEU 8 -14.106 2.305 2.305 55 3HD2 LEU 8 1HD2 LEU 8 -12.548 2.539 2.539 56 H ASP 9 H ASP 9 -17.886 1.575 1.575 57 HA ASP 9 HA ASP 9 -16.731 3.368 3.368 58 1HB ASP 9 1HB ASP 9 -18.882 3.912 3.912 59 2HB ASP 9 2HB ASP 9 -19.691 2.564 2.564 60 H LYS 10 H LYS 10 -18.423 0.355 0.355 61 HA LYS 10 HA LYS 10 -18.719 0.523 0.523 62 1HB LYS 10 1HB LYS 10 -19.076 -1.475 -1.475 63 2HB LYS 10 2HB LYS 10 -17.716 -2.138 -2.138 64 1HG LYS 10 1HG LYS 10 -19.609 -1.205 -1.205 65 2HG LYS 10 2HG LYS 10 -20.574 -1.996 -1.996 66 1HD LYS 10 1HD LYS 10 -18.068 -3.364 -3.364 67 2HD LYS 10 2HD LYS 10 -19.547 -3.315 -3.315 68 1HE LYS 10 1HE LYS 10 -20.726 -4.095 -4.095 69 2HE LYS 10 2HE LYS 10 -19.106 -4.715 -4.715 70 1HZ LYS 10 1HZ LYS 10 -20.227 -5.256 -5.256 71 2HZ LYS 10 2HZ LYS 10 -20.813 -6.126 -6.126 72 3HZ LYS 10 3HZ LYS 10 -19.175 -6.177 -6.177 73 H LEU 11 H LEU 11 -15.899 -0.474 -0.474 74 HA LEU 11 HA LEU 11 -14.178 -0.694 -0.694 75 1HB LEU 11 1HB LEU 11 -13.496 -0.278 -0.278 76 2HB LEU 11 2HB LEU 11 -12.273 -0.489 -0.489 77 HG LEU 11 HG LEU 11 -14.402 -2.554 -2.554 78 1HD1 LEU 11 2HD1 LEU 11 -12.572 -2.213 -2.213 79 2HD1 LEU 11 3HD1 LEU 11 -11.336 -2.514 -2.514 80 3HD1 LEU 11 1HD1 LEU 11 -12.448 -3.813 -3.813 81 1HD2 LEU 11 2HD2 LEU 11 -12.142 -2.828 -2.828 82 2HD2 LEU 11 3HD2 LEU 11 -13.896 -2.896 -2.896 83 3HD2 LEU 11 1HD2 LEU 11 -13.120 -4.182 -4.182 84 H LYS 12 H LYS 12 -13.228 1.539 1.539 85 HA LYS 12 HA LYS 12 -12.296 3.712 3.712 86 1HB LYS 12 1HB LYS 12 -14.690 4.325 4.325 87 2HB LYS 12 2HB LYS 12 -14.678 3.868 3.868 88 1HG LYS 12 1HG LYS 12 -14.350 6.164 6.164 89 2HG LYS 12 2HG LYS 12 -12.655 5.740 5.740 90 1HD LYS 12 1HD LYS 12 -14.187 6.318 6.318 91 2HD LYS 12 2HD LYS 12 -14.123 7.675 7.675 92 1HE LYS 12 1HE LYS 12 -11.805 7.960 7.960 93 2HE LYS 12 2HE LYS 12 -11.480 6.222 6.222 94 1HZ LYS 12 3HZ LYS 12 -12.969 6.908 6.908 95 2HZ LYS 12 1HZ LYS 12 -11.746 8.052 8.052 96 3HZ LYS 12 2HZ LYS 12 -11.363 6.416 6.416 97 H GLU 13 H GLU 13 -13.331 3.810 3.810 98 HA GLU 13 HA GLU 13 -10.925 4.465 4.465 99 1HB GLU 13 1HB GLU 13 -13.078 4.129 4.129 100 2HB GLU 13 2HB GLU 13 -13.049 2.409 2.409 101 1HG GLU 13 1HG GLU 13 -11.640 1.963 1.963 102 2HG GLU 13 2HG GLU 13 -10.642 3.371 3.371 103 H PHE 14 H PHE 14 -11.857 1.054 1.054 104 HA PHE 14 HA PHE 14 -9.435 0.035 0.035 105 1HB PHE 14 1HB PHE 14 -11.127 -1.607 -1.607 106 2HB PHE 14 2HB PHE 14 -11.605 -1.122 -1.122 107 HD1 PHE 14 HD1 PHE 14 -9.074 -3.069 -3.069 108 HD2 PHE 14 HD2 PHE 14 -10.586 -2.146 -2.146 109 HE1 PHE 14 HE1 PHE 14 -7.912 -5.036 -5.036 110 HE2 PHE 14 HE2 PHE 14 -9.416 -4.117 -4.117 111 HZ PHE 14 HZ PHE 14 -8.092 -5.576 -5.576 112 H GLY 15 H GLY 15 -9.766 1.277 1.277 113 1HA GLY 15 1HA GLY 15 -7.320 -0.257 -0.257 114 2HA GLY 15 2HA GLY 15 -8.262 0.908 0.908 115 H ASN 16 H ASN 16 -8.349 3.076 3.076 116 HA ASN 16 HA ASN 16 -5.818 4.398 4.398 117 1HB ASN 16 1HB ASN 16 -7.752 5.770 5.770 118 2HB ASN 16 2HB ASN 16 -8.213 4.815 4.815 119 1HD2 ASN 16 1HD2 ASN 16 -6.856 7.620 7.620 120 2HD2 ASN 16 2HD2 ASN 16 -8.390 6.734 6.734 121 H THR 17 H THR 17 -6.950 2.297 2.297 122 HA THR 17 HA THR 17 -4.987 2.997 2.997 123 HB THR 17 HB THR 17 -6.222 0.227 0.227 124 HG1 THR 17 HG1 THR 17 -7.674 0.848 0.848 125 1HG2 THR 17 3HG2 THR 17 -5.034 1.232 1.232 126 2HG2 THR 17 1HG2 THR 17 -5.920 -0.295 -0.295 127 3HG2 THR 17 2HG2 THR 17 -4.350 -0.071 -0.071 128 H LEU 18 H LEU 18 -4.847 0.584 0.584 129 HA LEU 18 HA LEU 18 -2.092 -0.248 -0.248 130 1HB LEU 18 1HB LEU 18 -3.227 -0.178 -0.178 131 2HB LEU 18 2HB LEU 18 -2.101 -1.330 -1.330 132 HG LEU 18 HG LEU 18 -5.104 -1.291 -1.291 133 1HD1 LEU 18 2HD1 LEU 18 -3.778 -2.897 -2.897 134 2HD1 LEU 18 3HD1 LEU 18 -3.006 -3.570 -3.570 135 3HD1 LEU 18 1HD1 LEU 18 -4.757 -3.764 -3.764 136 1HD2 LEU 18 2HD2 LEU 18 -3.511 -2.400 -2.400 137 2HD2 LEU 18 3HD2 LEU 18 -4.738 -1.109 -1.109 138 3HD2 LEU 18 1HD2 LEU 18 -5.223 -2.765 -2.765 139 H GLU 19 H GLU 19 -3.445 2.384 2.384 140 HA GLU 19 HA GLU 19 -0.642 3.128 3.128 141 1HB GLU 19 1HB GLU 19 -2.919 3.082 3.082 142 2HB GLU 19 2HB GLU 19 -3.266 4.608 4.608 143 1HG GLU 19 1HG GLU 19 -2.225 5.544 5.544 144 2HG GLU 19 2HG GLU 19 -0.731 5.199 5.199 145 H ASP 20 H ASP 20 -1.524 3.346 3.346 146 HA ASP 20 HA ASP 20 -0.555 6.226 6.226 147 1HB ASP 20 1HB ASP 20 -3.120 5.428 5.428 148 2HB ASP 20 2HB ASP 20 -2.178 5.209 5.209 149 H LYS 21 H LYS 21 -0.861 3.135 3.135 150 HA LYS 21 HA LYS 21 1.482 3.883 3.883 151 1HB LYS 21 1HB LYS 21 0.663 2.264 2.264 152 2HB LYS 21 2HB LYS 21 -0.792 2.355 2.355 153 1HG LYS 21 1HG LYS 21 1.087 0.484 0.484 154 2HG LYS 21 2HG LYS 21 0.994 0.077 0.077 155 1HD LYS 21 1HD LYS 21 -1.286 -0.544 -0.544 156 2HD LYS 21 2HD LYS 21 -1.607 0.582 0.582 157 1HE LYS 21 1HE LYS 21 -1.508 -1.450 -1.450 158 2HE LYS 21 2HE LYS 21 0.181 -0.938 -0.938 159 1HZ LYS 21 1HZ LYS 21 0.419 -2.206 -2.206 160 2HZ LYS 21 2HZ LYS 21 -0.979 -2.996 -2.996 161 3HZ LYS 21 3HZ LYS 21 0.402 -3.049 -3.049 162 H ALA 22 H ALA 22 0.814 2.010 2.010 163 HA ALA 22 HA ALA 22 3.489 0.699 0.699 164 1HB ALA 22 2HB ALA 22 1.512 -0.215 -0.215 165 2HB ALA 22 3HB ALA 22 1.461 1.247 1.247 166 3HB ALA 22 1HB ALA 22 2.846 0.133 0.133 167 H ARG 23 H ARG 23 2.319 3.836 3.836 168 HA ARG 23 HA ARG 23 4.530 4.703 4.703 169 1HB ARG 23 1HB ARG 23 2.337 5.913 5.913 170 2HB ARG 23 2HB ARG 23 3.787 6.781 6.781 171 1HG ARG 23 1HG ARG 23 3.602 8.018 8.018 172 2HG ARG 23 2HG ARG 23 3.949 6.562 6.562 173 1HD ARG 23 1HD ARG 23 1.671 6.171 6.171 174 2HD ARG 23 2HD ARG 23 1.096 6.903 6.903 175 HE ARG 23 HE ARG 23 2.210 9.110 9.110 176 1HH1 ARG 23 2HH2 ARG 23 0.122 6.713 6.713 177 2HH1 ARG 23 1HH2 ARG 23 -0.578 7.914 7.914 178 1HH2 ARG 23 1HH1 ARG 23 1.406 10.351 10.351 179 2HH2 ARG 23 2HH1 ARG 23 0.116 9.894 9.894 180 H GLU 24 H GLU 24 4.252 4.408 4.408 181 HA GLU 24 HA GLU 24 6.869 5.776 5.776 182 1HB GLU 24 1HB GLU 24 5.335 3.999 3.999 183 2HB GLU 24 2HB GLU 24 6.477 5.264 5.264 184 1HG GLU 24 1HG GLU 24 4.894 7.027 7.027 185 2HG GLU 24 2HG GLU 24 3.926 6.070 6.070 186 H LEU 25 H LEU 25 5.694 2.455 2.455 187 HA LEU 25 HA LEU 25 8.334 1.279 1.279 188 1HB LEU 25 1HB LEU 25 6.750 -0.374 -0.374 189 2HB LEU 25 2HB LEU 25 5.628 0.326 0.326 190 HG LEU 25 HG LEU 25 8.052 -1.170 -1.170 191 1HD1 LEU 25 2HD1 LEU 25 7.162 -2.646 -2.646 192 2HD1 LEU 25 3HD1 LEU 25 5.525 -2.555 -2.555 193 3HD1 LEU 25 1HD1 LEU 25 6.839 -3.346 -3.346 194 1HD2 LEU 25 2HD2 LEU 25 5.111 -0.911 -0.911 195 2HD2 LEU 25 3HD2 LEU 25 6.537 -0.115 -0.115 196 3HD2 LEU 25 1HD2 LEU 25 6.373 -1.871 -1.871 197 H ILE 26 H ILE 26 6.913 2.532 2.532 198 HA ILE 26 HA ILE 26 8.801 1.224 1.224 199 HB ILE 26 HB ILE 26 6.953 3.635 3.635 200 1HG1 ILE 26 1HG1 ILE 26 7.173 1.478 1.478 201 2HG1 ILE 26 2HG1 ILE 26 6.393 1.091 1.091 202 1HG2 ILE 26 2HG2 ILE 26 9.014 4.542 4.542 203 2HG2 ILE 26 3HG2 ILE 26 9.071 3.097 3.097 204 3HG2 ILE 26 1HG2 ILE 26 7.734 4.261 4.261 205 1HD1 ILE 26 2HD1 ILE 26 4.731 2.968 2.968 206 2HD1 ILE 26 3HD1 ILE 26 5.422 3.328 3.328 207 3HD1 ILE 26 1HD1 ILE 26 4.657 1.759 1.759 208 H SER 27 H SER 27 9.013 4.004 4.004 209 HA SER 27 HA SER 27 11.577 4.960 4.960 210 1HB SER 27 1HB SER 27 11.029 6.567 6.567 211 2HB SER 27 2HB SER 27 9.897 5.523 5.523 212 HG SER 27 HG SER 27 12.135 6.373 6.373 213 H ARG 28 H ARG 28 10.721 2.490 2.490 214 HA ARG 28 HA ARG 28 13.541 1.729 1.729 215 1HB ARG 28 1HB ARG 28 11.672 1.094 1.094 216 2HB ARG 28 2HB ARG 28 10.858 0.202 0.202 217 1HG ARG 28 1HG ARG 28 13.356 -1.125 -1.125 218 2HG ARG 28 2HG ARG 28 13.216 -0.599 -0.599 219 1HD ARG 28 1HD ARG 28 10.852 -1.669 -1.669 220 2HD ARG 28 2HD ARG 28 11.192 -2.316 -2.316 221 HE ARG 28 HE ARG 28 12.861 -3.782 -3.782 222 1HH1 ARG 28 2HH2 ARG 28 11.669 -1.692 -1.692 223 2HH1 ARG 28 1HH2 ARG 28 12.454 -2.704 -2.704 224 1HH2 ARG 28 1HH1 ARG 28 13.680 -4.826 -4.826 225 2HH2 ARG 28 2HH1 ARG 28 13.546 -4.411 -4.411 226 H ILE 29 H ILE 29 11.294 1.120 1.120 227 HA ILE 29 HA ILE 29 12.539 -1.447 -1.447 228 HB ILE 29 HB ILE 29 10.454 0.425 0.425 229 1HG1 ILE 29 1HG1 ILE 29 9.972 -2.527 -2.527 230 2HG1 ILE 29 2HG1 ILE 29 10.264 -1.989 -1.989 231 1HG2 ILE 29 2HG2 ILE 29 11.855 -0.070 -0.070 232 2HG2 ILE 29 3HG2 ILE 29 11.745 -1.816 -1.816 233 3HG2 ILE 29 1HG2 ILE 29 10.309 -0.869 -0.869 234 1HD1 ILE 29 2HD1 ILE 29 8.426 -0.269 -0.269 235 2HD1 ILE 29 3HD1 ILE 29 8.022 -0.860 -0.860 236 3HD1 ILE 29 1HD1 ILE 29 7.856 -1.937 -1.937 237 H LYS 30 H LYS 30 12.871 1.911 1.911 238 HA LYS 30 HA LYS 30 14.506 1.515 1.515 239 1HB LYS 30 1HB LYS 30 14.369 3.805 3.805 240 2HB LYS 30 2HB LYS 30 13.629 3.731 3.731 241 1HG LYS 30 1HG LYS 30 16.602 3.401 3.401 242 2HG LYS 30 2HG LYS 30 16.170 4.877 4.877 243 1HD LYS 30 1HD LYS 30 14.624 4.403 4.403 244 2HD LYS 30 2HD LYS 30 16.380 4.513 4.513 245 1HE LYS 30 1HE LYS 30 14.517 6.624 6.624 246 2HE LYS 30 2HE LYS 30 15.609 6.834 6.834 247 1HZ LYS 30 1HZ LYS 30 17.392 6.110 6.110 248 2HZ LYS 30 2HZ LYS 30 16.251 6.709 6.709 249 3HZ LYS 30 3HZ LYS 30 16.870 7.703 7.703 250 H GLN 31 H GLN 31 15.305 1.291 1.291 251 HA GLN 31 HA GLN 31 18.254 1.446 1.446 252 1HB GLN 31 1HB GLN 31 16.646 2.228 2.228 253 2HB GLN 31 2HB GLN 31 17.296 0.709 0.709 254 1HG GLN 31 1HG GLN 31 19.684 1.833 1.833 255 2HG GLN 31 2HG GLN 31 18.782 3.321 3.321 256 1HE2 GLN 31 2HE2 GLN 31 19.102 3.230 3.230 257 2HE2 GLN 31 1HE2 GLN 31 18.348 4.059 4.059 258 H SER 32 H SER 32 16.530 -0.847 -0.847 259 HA SER 32 HA SER 32 18.769 -2.720 -2.720 260 1HB SER 32 1HB SER 32 17.088 -2.796 -2.796 261 2HB SER 32 2HB SER 32 16.561 -4.190 -4.190 262 HG SER 32 HG SER 32 18.247 -5.050 -5.050 263 H GLU 33 H GLU 33 17.020 -1.543 -1.543 264 HA GLU 33 HA GLU 33 16.378 -4.212 -4.212 265 1HB GLU 33 1HB GLU 33 14.584 -1.945 -1.945 266 2HB GLU 33 2HB GLU 33 14.660 -2.124 -2.124 267 1HG GLU 33 1HG GLU 33 14.249 -4.807 -4.807 268 2HG GLU 33 2HG GLU 33 13.155 -3.731 -3.731 269 H LEU 34 H LEU 34 18.702 -2.407 -2.407 270 HA LEU 34 HA LEU 34 18.566 -0.692 -0.692 271 1HB LEU 34 1HB LEU 34 21.068 -0.611 -0.611 272 2HB LEU 34 2HB LEU 34 20.302 -0.293 -0.293 273 HG LEU 34 HG LEU 34 21.031 -3.168 -3.168 274 1HD1 LEU 34 2HD1 LEU 34 22.925 -2.091 -2.091 275 2HD1 LEU 34 3HD1 LEU 34 23.279 -1.039 -1.039 276 3HD1 LEU 34 1HD1 LEU 34 23.497 -2.801 -2.801 277 1HD2 LEU 34 2HD2 LEU 34 21.620 -1.113 -1.113 278 2HD2 LEU 34 3HD2 LEU 34 20.337 -2.348 -2.348 279 3HD2 LEU 34 1HD2 LEU 34 22.029 -2.850 -2.850 280 H SER 35 H SER 35 19.303 -4.055 -4.055 281 HA SER 35 HA SER 35 20.111 -5.690 -5.690 282 1HB SER 35 1HB SER 35 18.048 -4.131 -4.131 283 2HB SER 35 2HB SER 35 19.179 -4.938 -4.938 284 HG SER 35 HG SER 35 18.373 -6.814 -6.814 285 H ALA 36 H ALA 36 21.701 -3.419 -3.419 286 HA ALA 36 HA ALA 36 23.162 -2.986 -2.986 287 1HB ALA 36 2HB ALA 36 22.170 -0.895 -0.895 288 2HB ALA 36 3HB ALA 36 23.040 -1.188 -1.188 289 3HB ALA 36 1HB ALA 36 23.941 -0.800 -0.800 290 H LYS 37 H LYS 37 23.476 -5.298 -5.298 291 HA LYS 37 HA LYS 37 25.171 -6.623 -6.623 292 1HB LYS 37 1HB LYS 37 26.330 -5.203 -5.203 293 2HB LYS 37 2HB LYS 37 27.395 -4.730 -4.730 294 1HG LYS 37 1HG LYS 37 26.767 -7.632 -7.632 295 2HG LYS 37 2HG LYS 37 28.279 -6.761 -6.761 296 1HD LYS 37 1HD LYS 37 27.767 -6.745 -6.745 297 2HD LYS 37 2HD LYS 37 27.322 -8.367 -8.367 298 1HE LYS 37 1HE LYS 37 30.052 -7.036 -7.036 299 2HE LYS 37 2HE LYS 37 29.648 -8.746 -8.746 300 1HZ LYS 37 1HZ LYS 37 28.998 -8.742 -8.742 301 2HZ LYS 37 2HZ LYS 37 29.715 -7.227 -7.227 302 3HZ LYS 37 3HZ LYS 37 30.638 -8.559 -8.559 303 H MET 38 H MET 38 23.962 -5.308 -5.308 304 HA MET 38 HA MET 38 25.443 -3.579 -3.579 305 1HB MET 38 1HB MET 38 23.056 -5.057 -5.057 306 2HB MET 38 2HB MET 38 24.060 -5.895 -5.895 307 1HG MET 38 1HG MET 38 24.093 -2.885 -2.885 308 2HG MET 38 2HG MET 38 22.532 -3.679 -3.679 309 1HE MET 38 1HE MET 38 22.142 -5.663 -5.663 310 2HE MET 38 3HE MET 38 23.585 -6.720 -6.720 311 3HE MET 38 2HE MET 38 23.028 -6.113 -6.113 Start of MODEL 16 1 1H THR 1 3H THR 1 -21.164 -10.600 -10.600 2 2H THR 1 1H THR 1 -19.816 -9.688 -9.688 3 3H THR 1 2H THR 1 -19.647 -11.322 -11.322 4 HA THR 1 HA THR 1 -19.678 -11.055 -11.055 5 HB THR 1 HB THR 1 -19.176 -8.080 -8.080 6 HG1 THR 1 HG1 THR 1 -17.148 -8.602 -8.602 7 1HG2 THR 1 3HG2 THR 1 -17.497 -10.187 -10.187 8 2HG2 THR 1 1HG2 THR 1 -17.120 -8.451 -8.451 9 3HG2 THR 1 2HG2 THR 1 -18.560 -8.971 -8.971 10 HA PRO 2 HA PRO 2 -23.380 -9.555 -9.555 11 1HB PRO 2 1HB PRO 2 -21.460 -8.683 -8.683 12 2HB PRO 2 2HB PRO 2 -23.026 -9.738 -9.738 13 1HG PRO 2 1HG PRO 2 -20.439 -10.848 -10.848 14 2HG PRO 2 2HG PRO 2 -21.943 -11.580 -11.580 15 1HD PRO 2 1HD PRO 2 -19.552 -9.788 -9.788 16 2HD PRO 2 2HD PRO 2 -20.104 -11.382 -11.382 17 H ASP 3 H ASP 3 -23.482 -7.612 -7.612 18 HA ASP 3 HA ASP 3 -23.888 -5.184 -5.184 19 1HB ASP 3 1HB ASP 3 -24.472 -5.192 -5.192 20 2HB ASP 3 2HB ASP 3 -22.911 -5.821 -5.821 21 H VAL 4 H VAL 4 -20.829 -6.020 -6.020 22 HA VAL 4 HA VAL 4 -18.620 -5.256 -5.256 23 HB VAL 4 HB VAL 4 -19.447 -6.826 -6.826 24 1HG1 VAL 4 1HG2 VAL 4 -19.240 -4.224 -4.224 25 2HG1 VAL 4 2HG2 VAL 4 -19.326 -5.878 -5.878 26 3HG1 VAL 4 3HG2 VAL 4 -20.699 -5.220 -5.220 27 1HG2 VAL 4 2HG1 VAL 4 -16.987 -6.447 -6.447 28 2HG2 VAL 4 3HG1 VAL 4 -17.304 -6.652 -6.652 29 3HG2 VAL 4 1HG1 VAL 4 -16.994 -5.024 -5.024 30 H SER 5 H SER 5 -20.593 -3.200 -3.200 31 HA SER 5 HA SER 5 -19.181 -0.997 -0.997 32 1HB SER 5 1HB SER 5 -21.735 -1.710 -1.710 33 2HB SER 5 2HB SER 5 -22.149 -0.600 -0.600 34 HG SER 5 HG SER 5 -21.665 0.078 0.078 35 H SER 6 H SER 6 -21.428 -1.675 -1.675 36 HA SER 6 HA SER 6 -19.921 0.446 0.446 37 1HB SER 6 1HB SER 6 -22.651 -0.905 -0.905 38 2HB SER 6 2HB SER 6 -21.873 -0.062 -0.062 39 HG SER 6 HG SER 6 -23.393 1.117 1.117 40 H ALA 7 H ALA 7 -18.750 -2.016 -2.016 41 HA ALA 7 HA ALA 7 -18.655 -3.491 -3.491 42 1HB ALA 7 2HB ALA 7 -18.962 -4.862 -4.862 43 2HB ALA 7 3HB ALA 7 -17.460 -4.194 -4.194 44 3HB ALA 7 1HB ALA 7 -17.402 -5.253 -5.253 45 H LEU 8 H LEU 8 -16.863 -1.374 -1.374 46 HA LEU 8 HA LEU 8 -14.377 -1.620 -1.620 47 1HB LEU 8 1HB LEU 8 -14.661 -0.723 -0.723 48 2HB LEU 8 2HB LEU 8 -15.128 0.792 0.792 49 HG LEU 8 HG LEU 8 -12.646 0.404 0.404 50 1HD1 LEU 8 2HD1 LEU 8 -13.479 2.452 2.452 51 2HD1 LEU 8 3HD1 LEU 8 -13.250 1.655 1.655 52 3HD1 LEU 8 1HD1 LEU 8 -11.847 2.022 2.022 53 1HD2 LEU 8 2HD2 LEU 8 -12.521 -0.935 -0.935 54 2HD2 LEU 8 3HD2 LEU 8 -12.126 -1.689 -1.689 55 3HD2 LEU 8 1HD2 LEU 8 -11.102 -0.393 -0.393 56 H ASP 9 H ASP 9 -17.283 0.287 0.287 57 HA ASP 9 HA ASP 9 -16.589 2.238 2.238 58 1HB ASP 9 1HB ASP 9 -18.910 2.035 2.035 59 2HB ASP 9 2HB ASP 9 -19.181 0.547 0.547 60 H LYS 10 H LYS 10 -17.225 -1.167 -1.167 61 HA LYS 10 HA LYS 10 -17.379 -1.172 -1.172 62 1HB LYS 10 1HB LYS 10 -17.725 -3.180 -3.180 63 2HB LYS 10 2HB LYS 10 -15.983 -3.288 -3.288 64 1HG LYS 10 1HG LYS 10 -15.858 -3.520 -3.520 65 2HG LYS 10 2HG LYS 10 -17.603 -3.758 -3.758 66 1HD LYS 10 1HD LYS 10 -15.451 -5.467 -5.467 67 2HD LYS 10 2HD LYS 10 -16.280 -5.893 -5.893 68 1HE LYS 10 1HE LYS 10 -18.508 -5.367 -5.367 69 2HE LYS 10 2HE LYS 10 -17.402 -5.880 -5.880 70 1HZ LYS 10 2HZ LYS 10 -16.870 -7.748 -7.748 71 2HZ LYS 10 3HZ LYS 10 -18.457 -7.417 -7.417 72 3HZ LYS 10 1HZ LYS 10 -18.107 -7.892 -7.892 73 H LEU 11 H LEU 11 -14.540 -1.220 -1.220 74 HA LEU 11 HA LEU 11 -12.698 -1.116 -1.116 75 1HB LEU 11 1HB LEU 11 -12.228 -0.630 -0.630 76 2HB LEU 11 2HB LEU 11 -10.945 -0.580 -0.580 77 HG LEU 11 HG LEU 11 -12.668 -3.034 -3.034 78 1HD1 LEU 11 2HD1 LEU 11 -11.045 -2.371 -2.371 79 2HD1 LEU 11 3HD1 LEU 11 -9.701 -2.401 -2.401 80 3HD1 LEU 11 1HD1 LEU 11 -10.563 -3.902 -3.902 81 1HD2 LEU 11 2HD2 LEU 11 -10.274 -2.823 -2.823 82 2HD2 LEU 11 3HD2 LEU 11 -11.960 -3.229 -3.229 83 3HD2 LEU 11 1HD2 LEU 11 -11.003 -4.353 -4.353 84 H LYS 12 H LYS 12 -12.323 1.211 1.211 85 HA LYS 12 HA LYS 12 -11.947 3.554 3.554 86 1HB LYS 12 1HB LYS 12 -14.442 3.481 3.481 87 2HB LYS 12 2HB LYS 12 -14.204 3.256 3.256 88 1HG LYS 12 1HG LYS 12 -14.656 5.615 5.615 89 2HG LYS 12 2HG LYS 12 -12.906 5.549 5.549 90 1HD LYS 12 1HD LYS 12 -13.379 5.394 5.394 91 2HD LYS 12 2HD LYS 12 -14.591 6.542 6.542 92 1HE LYS 12 1HE LYS 12 -12.173 7.182 7.182 93 2HE LYS 12 2HE LYS 12 -11.646 6.931 6.931 94 1HZ LYS 12 1HZ LYS 12 -14.115 8.389 8.389 95 2HZ LYS 12 2HZ LYS 12 -12.867 9.160 9.160 96 3HZ LYS 12 3HZ LYS 12 -12.683 8.760 8.760 97 H GLU 13 H GLU 13 -12.892 3.553 3.553 98 HA GLU 13 HA GLU 13 -10.646 4.749 4.749 99 1HB GLU 13 1HB GLU 13 -12.881 3.380 3.380 100 2HB GLU 13 2HB GLU 13 -11.637 2.266 2.266 101 1HG GLU 13 1HG GLU 13 -12.275 5.053 5.053 102 2HG GLU 13 2HG GLU 13 -11.850 3.619 3.619 103 H PHE 14 H PHE 14 -10.844 1.226 1.226 104 HA PHE 14 HA PHE 14 -8.314 0.572 0.572 105 1HB PHE 14 1HB PHE 14 -9.275 -1.471 -1.471 106 2HB PHE 14 2HB PHE 14 -10.284 -0.857 -0.857 107 HD1 PHE 14 HD2 PHE 14 -6.866 -2.241 -2.241 108 HD2 PHE 14 HD1 PHE 14 -9.750 -1.186 -1.186 109 HE1 PHE 14 HE2 PHE 14 -5.504 -3.373 -3.373 110 HE2 PHE 14 HE1 PHE 14 -8.393 -2.329 -2.329 111 HZ PHE 14 HZ PHE 14 -6.268 -3.427 -3.427 112 H GLY 15 H GLY 15 -8.937 1.820 1.820 113 1HA GLY 15 1HA GLY 15 -6.206 0.959 0.959 114 2HA GLY 15 2HA GLY 15 -7.397 1.912 1.912 115 H ASN 16 H ASN 16 -7.945 3.948 3.948 116 HA ASN 16 HA ASN 16 -5.926 5.903 5.903 117 1HB ASN 16 1HB ASN 16 -8.399 5.895 5.895 118 2HB ASN 16 2HB ASN 16 -7.528 5.702 5.702 119 1HD2 ASN 16 1HD2 ASN 16 -8.119 9.323 9.323 120 2HD2 ASN 16 2HD2 ASN 16 -9.138 7.810 7.810 121 H THR 17 H THR 17 -6.106 3.347 3.347 122 HA THR 17 HA THR 17 -4.088 4.541 4.541 123 HB THR 17 HB THR 17 -4.750 1.536 1.536 124 HG1 THR 17 HG1 THR 17 -6.381 1.959 1.959 125 1HG2 THR 17 3HG2 THR 17 -3.983 3.173 3.173 126 2HG2 THR 17 1HG2 THR 17 -4.426 1.448 1.448 127 3HG2 THR 17 2HG2 THR 17 -2.938 1.978 1.978 128 H LEU 18 H LEU 18 -3.959 2.111 2.111 129 HA LEU 18 HA LEU 18 -1.047 1.748 1.748 130 1HB LEU 18 1HB LEU 18 -2.607 1.726 1.726 131 2HB LEU 18 2HB LEU 18 -1.233 0.740 0.740 132 HG LEU 18 HG LEU 18 -4.174 0.382 0.382 133 1HD1 LEU 18 3HD2 LEU 18 -3.057 -0.849 -0.849 134 2HD1 LEU 18 1HD2 LEU 18 -2.035 -1.705 -1.705 135 3HD1 LEU 18 2HD2 LEU 18 -3.805 -1.934 -1.934 136 1HD2 LEU 18 2HD1 LEU 18 -2.920 0.358 0.358 137 2HD2 LEU 18 3HD1 LEU 18 -3.618 -1.231 -1.231 138 3HD2 LEU 18 1HD1 LEU 18 -1.877 -0.935 -0.935 139 H GLU 19 H GLU 19 -3.062 4.262 4.262 140 HA GLU 19 HA GLU 19 -0.664 5.400 5.400 141 1HB GLU 19 1HB GLU 19 -3.196 5.118 5.118 142 2HB GLU 19 2HB GLU 19 -3.515 6.561 6.561 143 1HG GLU 19 1HG GLU 19 -1.788 7.835 7.835 144 2HG GLU 19 2HG GLU 19 -1.496 6.392 6.392 145 H ASP 20 H ASP 20 -0.911 5.382 5.382 146 HA ASP 20 HA ASP 20 -0.086 8.295 8.295 147 1HB ASP 20 1HB ASP 20 -2.525 7.736 7.736 148 2HB ASP 20 2HB ASP 20 -1.593 7.044 7.044 149 H LYS 21 H LYS 21 -0.119 5.148 5.148 150 HA LYS 21 HA LYS 21 2.423 5.897 5.897 151 1HB LYS 21 1HB LYS 21 1.894 4.163 4.163 152 2HB LYS 21 2HB LYS 21 0.280 4.422 4.422 153 1HG LYS 21 1HG LYS 21 1.360 2.558 2.558 154 2HG LYS 21 2HG LYS 21 2.145 2.078 2.078 155 1HD LYS 21 1HD LYS 21 -0.581 2.431 2.431 156 2HD LYS 21 2HD LYS 21 -0.681 1.802 1.802 157 1HE LYS 21 1HE LYS 21 -0.192 -0.313 -0.313 158 2HE LYS 21 2HE LYS 21 1.422 0.248 0.248 159 1HZ LYS 21 2HZ LYS 21 -0.548 1.156 1.156 160 2HZ LYS 21 3HZ LYS 21 -0.578 -0.518 -0.518 161 3HZ LYS 21 1HZ LYS 21 0.851 0.261 0.261 162 H ALA 22 H ALA 22 1.521 4.363 4.363 163 HA ALA 22 HA ALA 22 4.221 3.025 3.025 164 1HB ALA 22 2HB ALA 22 2.170 1.964 1.964 165 2HB ALA 22 3HB ALA 22 1.909 3.395 3.395 166 3HB ALA 22 1HB ALA 22 3.339 2.364 2.364 167 H ARG 23 H ARG 23 3.056 6.153 6.153 168 HA ARG 23 HA ARG 23 4.909 7.014 7.014 169 1HB ARG 23 1HB ARG 23 3.102 8.249 8.249 170 2HB ARG 23 2HB ARG 23 4.600 9.156 9.156 171 1HG ARG 23 1HG ARG 23 3.259 10.243 10.243 172 2HG ARG 23 2HG ARG 23 4.183 9.121 9.121 173 1HD ARG 23 1HD ARG 23 2.229 7.452 7.452 174 2HD ARG 23 2HD ARG 23 1.309 8.686 8.686 175 HE ARG 23 HE ARG 23 2.226 8.933 8.933 176 1HH1 ARG 23 2HH2 ARG 23 0.372 10.270 10.270 177 2HH1 ARG 23 1HH2 ARG 23 -0.519 11.429 11.429 178 1HH2 ARG 23 2HH1 ARG 23 -0.061 11.406 11.406 179 2HH2 ARG 23 1HH1 ARG 23 1.221 10.210 10.210 180 H GLU 24 H GLU 24 5.189 6.800 6.800 181 HA GLU 24 HA GLU 24 7.920 7.997 7.997 182 1HB GLU 24 1HB GLU 24 6.659 6.236 6.236 183 2HB GLU 24 2HB GLU 24 7.928 7.417 7.417 184 1HG GLU 24 1HG GLU 24 6.411 9.284 9.284 185 2HG GLU 24 2HG GLU 24 5.204 8.425 8.425 186 H LEU 25 H LEU 25 6.571 4.749 4.749 187 HA LEU 25 HA LEU 25 9.250 3.478 3.478 188 1HB LEU 25 1HB LEU 25 7.644 2.004 2.004 189 2HB LEU 25 2HB LEU 25 6.388 2.588 2.588 190 HG LEU 25 HG LEU 25 8.590 0.898 0.898 191 1HD1 LEU 25 2HD1 LEU 25 8.067 -0.296 -0.296 192 2HD1 LEU 25 3HD1 LEU 25 6.330 -0.287 -0.287 193 3HD1 LEU 25 1HD1 LEU 25 7.473 -1.211 -1.211 194 1HD2 LEU 25 2HD2 LEU 25 5.522 1.049 1.049 195 2HD2 LEU 25 3HD2 LEU 25 6.785 1.721 1.721 196 3HD2 LEU 25 1HD2 LEU 25 6.631 -0.031 -0.031 197 H ILE 26 H ILE 26 7.290 4.575 4.575 198 HA ILE 26 HA ILE 26 8.703 3.166 3.166 199 HB ILE 26 HB ILE 26 7.100 5.723 5.723 200 1HG1 ILE 26 1HG1 ILE 26 6.906 3.678 3.678 201 2HG1 ILE 26 2HG1 ILE 26 6.241 3.307 3.307 202 1HG2 ILE 26 2HG2 ILE 26 9.049 6.591 6.591 203 2HG2 ILE 26 3HG2 ILE 26 8.871 5.228 5.228 204 3HG2 ILE 26 1HG2 ILE 26 7.615 6.476 6.476 205 1HD1 ILE 26 2HD1 ILE 26 4.745 5.337 5.337 206 2HD1 ILE 26 3HD1 ILE 26 5.312 5.692 5.692 207 3HD1 ILE 26 1HD1 ILE 26 4.434 4.189 4.189 208 H SER 27 H SER 27 9.643 5.845 5.845 209 HA SER 27 HA SER 27 12.083 6.473 6.473 210 1HB SER 27 1HB SER 27 11.929 8.122 8.122 211 2HB SER 27 2HB SER 27 10.989 7.140 7.140 212 HG SER 27 HG SER 27 13.821 6.956 6.956 213 H ARG 28 H ARG 28 11.375 4.155 4.155 214 HA ARG 28 HA ARG 28 14.047 2.940 2.940 215 1HB ARG 28 1HB ARG 28 12.010 2.613 2.613 216 2HB ARG 28 2HB ARG 28 11.373 1.464 1.464 217 1HG ARG 28 1HG ARG 28 14.025 0.502 0.502 218 2HG ARG 28 2HG ARG 28 13.679 1.187 1.187 219 1HD ARG 28 1HD ARG 28 11.482 -0.186 -0.186 220 2HD ARG 28 2HD ARG 28 12.022 -0.950 -0.950 221 HE ARG 28 HE ARG 28 13.799 -2.068 -2.068 222 1HH1 ARG 28 2HH2 ARG 28 12.139 0.069 0.069 223 2HH1 ARG 28 1HH2 ARG 28 12.928 -0.696 -0.696 224 1HH2 ARG 28 1HH1 ARG 28 14.610 -2.848 -2.848 225 2HH2 ARG 28 2HH1 ARG 28 14.270 -2.284 -2.284 226 H ILE 29 H ILE 29 11.402 2.773 2.773 227 HA ILE 29 HA ILE 29 12.137 0.084 0.084 228 HB ILE 29 HB ILE 29 10.135 2.240 2.240 229 1HG1 ILE 29 1HG1 ILE 29 9.276 -0.612 -0.612 230 2HG1 ILE 29 2HG1 ILE 29 9.909 -0.260 -0.260 231 1HG2 ILE 29 2HG2 ILE 29 11.123 1.760 1.760 232 2HG2 ILE 29 3HG2 ILE 29 10.866 0.015 0.015 233 3HG2 ILE 29 1HG2 ILE 29 9.496 1.137 1.137 234 1HD1 ILE 29 2HD1 ILE 29 8.301 1.658 1.658 235 2HD1 ILE 29 3HD1 ILE 29 7.552 1.266 1.266 236 3HD1 ILE 29 1HD1 ILE 29 7.496 0.091 0.091 237 H LYS 30 H LYS 30 12.688 3.414 3.414 238 HA LYS 30 HA LYS 30 14.231 2.974 2.974 239 1HB LYS 30 1HB LYS 30 14.308 5.028 5.028 240 2HB LYS 30 2HB LYS 30 15.700 4.998 4.998 241 1HG LYS 30 1HG LYS 30 13.925 6.645 6.645 242 2HG LYS 30 2HG LYS 30 14.267 5.425 5.425 243 1HD LYS 30 1HD LYS 30 12.046 4.882 4.882 244 2HD LYS 30 2HD LYS 30 12.081 4.466 4.466 245 1HE LYS 30 1HE LYS 30 10.454 6.362 6.362 246 2HE LYS 30 2HE LYS 30 11.749 6.870 6.870 247 1HZ LYS 30 1HZ LYS 30 11.974 7.246 7.246 248 2HZ LYS 30 2HZ LYS 30 11.237 8.379 8.379 249 3HZ LYS 30 3HZ LYS 30 12.858 7.990 7.990 250 H GLN 31 H GLN 31 15.248 2.736 2.736 251 HA GLN 31 HA GLN 31 18.008 1.915 1.915 252 1HB GLN 31 1HB GLN 31 17.053 3.515 3.515 253 2HB GLN 31 2HB GLN 31 17.354 1.996 1.996 254 1HG GLN 31 1HG GLN 31 19.794 2.122 2.122 255 2HG GLN 31 2HG GLN 31 19.404 3.791 3.791 256 1HE2 GLN 31 2HE2 GLN 31 19.419 4.004 4.004 257 2HE2 GLN 31 1HE2 GLN 31 17.958 3.748 3.748 258 H SER 32 H SER 32 15.772 0.171 0.171 259 HA SER 32 HA SER 32 17.208 -2.278 -2.278 260 1HB SER 32 1HB SER 32 15.875 -1.435 -1.435 261 2HB SER 32 2HB SER 32 14.508 -2.229 -2.229 262 HG SER 32 HG SER 32 15.876 -3.530 -3.530 263 H GLU 33 H GLU 33 16.787 -1.750 -1.750 264 HA GLU 33 HA GLU 33 14.121 -3.060 -3.060 265 1HB GLU 33 1HB GLU 33 15.266 -0.397 -0.397 266 2HB GLU 33 2HB GLU 33 15.051 -1.277 -1.277 267 1HG GLU 33 1HG GLU 33 12.539 -1.701 -1.701 268 2HG GLU 33 2HG GLU 33 12.944 -0.168 -0.168 269 H LEU 34 H LEU 34 16.863 -4.159 -4.159 270 HA LEU 34 HA LEU 34 16.943 -5.322 -5.322 271 1HB LEU 34 1HB LEU 34 19.298 -6.079 -6.079 272 2HB LEU 34 2HB LEU 34 19.114 -4.337 -4.337 273 HG LEU 34 HG LEU 34 18.947 -5.746 -5.746 274 1HD1 LEU 34 2HD1 LEU 34 20.992 -6.683 -6.683 275 2HD1 LEU 34 3HD1 LEU 34 21.584 -5.038 -5.038 276 3HD1 LEU 34 1HD1 LEU 34 21.439 -5.609 -5.609 277 1HD2 LEU 34 2HD2 LEU 34 19.988 -2.957 -2.957 278 2HD2 LEU 34 3HD2 LEU 34 18.477 -3.308 -3.308 279 3HD2 LEU 34 1HD2 LEU 34 20.030 -3.589 -3.589 280 H SER 35 H SER 35 16.914 -6.032 -6.032 281 HA SER 35 HA SER 35 16.723 -8.135 -8.135 282 1HB SER 35 1HB SER 35 14.831 -8.431 -8.431 283 2HB SER 35 2HB SER 35 15.161 -9.873 -9.873 284 HG SER 35 HG SER 35 13.438 -8.017 -8.017 285 H ALA 36 H ALA 36 18.928 -7.592 -7.592 286 HA ALA 36 HA ALA 36 19.450 -9.956 -9.956 287 1HB ALA 36 2HB ALA 36 20.359 -7.659 -7.659 288 2HB ALA 36 3HB ALA 36 21.305 -7.665 -7.665 289 3HB ALA 36 1HB ALA 36 21.698 -8.806 -8.806 290 H LYS 37 H LYS 37 21.139 -8.662 -8.662 291 HA LYS 37 HA LYS 37 21.438 -11.349 -11.349 292 1HB LYS 37 1HB LYS 37 23.070 -11.266 -11.266 293 2HB LYS 37 2HB LYS 37 24.050 -10.188 -10.188 294 1HG LYS 37 1HG LYS 37 25.012 -12.323 -12.323 295 2HG LYS 37 2HG LYS 37 23.932 -12.093 -12.093 296 1HD LYS 37 1HD LYS 37 23.122 -14.168 -14.168 297 2HD LYS 37 2HD LYS 37 22.307 -13.416 -13.416 298 1HE LYS 37 1HE LYS 37 25.186 -13.812 -13.812 299 2HE LYS 37 2HE LYS 37 24.467 -15.350 -15.350 300 1HZ LYS 37 3HZ LYS 37 22.934 -13.652 -13.652 301 2HZ LYS 37 1HZ LYS 37 24.251 -14.513 -14.513 302 3HZ LYS 37 2HZ LYS 37 22.977 -15.328 -15.328 303 H MET 38 H MET 38 20.613 -8.685 -8.685 304 HA MET 38 HA MET 38 22.729 -7.802 -7.802 305 1HB MET 38 1HB MET 38 21.605 -5.879 -5.879 306 2HB MET 38 2HB MET 38 20.102 -6.737 -6.737 307 1HG MET 38 1HG MET 38 19.192 -6.049 -6.049 308 2HG MET 38 2HG MET 38 20.601 -6.620 -6.620 309 1HE MET 38 3HE MET 38 18.568 -3.942 -3.942 310 2HE MET 38 2HE MET 38 19.525 -2.430 -2.430 311 3HE MET 38 1HE MET 38 19.722 -3.620 -3.620 Start of MODEL 17 1 1H THR 1 2H THR 1 -17.831 0.744 0.744 2 2H THR 1 3H THR 1 -17.873 1.219 1.219 3 3H THR 1 1H THR 1 -16.504 1.521 1.521 4 HA THR 1 HA THR 1 -15.939 -0.719 -0.719 5 HB THR 1 HB THR 1 -15.922 0.725 0.725 6 HG1 THR 1 HG1 THR 1 -14.432 -0.840 -0.840 7 1HG2 THR 1 3HG2 THR 1 -17.024 -2.089 -2.089 8 2HG2 THR 1 1HG2 THR 1 -16.322 -0.930 -0.930 9 3HG2 THR 1 2HG2 THR 1 -17.843 -0.548 -0.548 10 HA PRO 2 HA PRO 2 -18.815 -4.096 -4.096 11 1HB PRO 2 1HB PRO 2 -17.001 -5.370 -5.370 12 2HB PRO 2 2HB PRO 2 -17.636 -6.032 -6.032 13 1HG PRO 2 1HG PRO 2 -15.032 -5.015 -5.015 14 2HG PRO 2 2HG PRO 2 -16.134 -4.769 -4.769 15 1HD PRO 2 1HD PRO 2 -15.501 -3.138 -3.138 16 2HD PRO 2 2HD PRO 2 -15.377 -2.586 -2.586 17 H ASP 3 H ASP 3 -19.300 -6.047 -6.047 18 HA ASP 3 HA ASP 3 -21.154 -4.741 -4.741 19 1HB ASP 3 1HB ASP 3 -20.852 -7.359 -7.359 20 2HB ASP 3 2HB ASP 3 -19.955 -7.477 -7.477 21 H VAL 4 H VAL 4 -17.785 -5.045 -5.045 22 HA VAL 4 HA VAL 4 -17.777 -4.580 -4.580 23 HB VAL 4 HB VAL 4 -15.365 -4.433 -4.433 24 1HG1 VAL 4 1HG2 VAL 4 -15.495 -5.493 -5.493 25 2HG1 VAL 4 2HG2 VAL 4 -14.042 -5.473 -5.473 26 3HG1 VAL 4 3HG2 VAL 4 -14.767 -3.957 -3.957 27 1HG2 VAL 4 2HG1 VAL 4 -16.539 -6.597 -6.597 28 2HG2 VAL 4 3HG1 VAL 4 -14.968 -6.888 -6.888 29 3HG2 VAL 4 1HG1 VAL 4 -16.461 -7.118 -7.118 30 H SER 5 H SER 5 -19.168 -2.647 -2.647 31 HA SER 5 HA SER 5 -17.290 -0.271 -0.271 32 1HB SER 5 1HB SER 5 -19.916 0.763 0.763 33 2HB SER 5 2HB SER 5 -18.785 0.546 0.546 34 HG SER 5 HG SER 5 -20.719 -1.344 -1.344 35 H SER 6 H SER 6 -19.946 -1.691 -1.691 36 HA SER 6 HA SER 6 -19.253 0.289 0.289 37 1HB SER 6 1HB SER 6 -21.927 -0.644 -0.644 38 2HB SER 6 2HB SER 6 -21.834 -0.504 -0.504 39 HG SER 6 HG SER 6 -21.231 1.670 1.670 40 H ALA 7 H ALA 7 -17.888 -2.072 -2.072 41 HA ALA 7 HA ALA 7 -18.738 -3.574 -3.574 42 1HB ALA 7 2HB ALA 7 -18.489 -4.987 -4.987 43 2HB ALA 7 3HB ALA 7 -16.818 -4.413 -4.413 44 3HB ALA 7 1HB ALA 7 -17.241 -5.432 -5.432 45 H LEU 8 H LEU 8 -16.324 -1.593 -1.593 46 HA LEU 8 HA LEU 8 -14.313 -1.957 -1.957 47 1HB LEU 8 1HB LEU 8 -13.762 -0.873 -0.873 48 2HB LEU 8 2HB LEU 8 -14.895 0.425 0.425 49 HG LEU 8 HG LEU 8 -12.330 0.850 0.850 50 1HD1 LEU 8 2HD1 LEU 8 -14.128 2.489 2.489 51 2HD1 LEU 8 3HD1 LEU 8 -14.300 1.724 1.724 52 3HD1 LEU 8 1HD1 LEU 8 -12.786 2.548 2.548 53 1HD2 LEU 8 2HD2 LEU 8 -12.903 -0.521 -0.521 54 2HD2 LEU 8 3HD2 LEU 8 -11.730 -1.044 -1.044 55 3HD2 LEU 8 1HD2 LEU 8 -11.463 0.469 0.469 56 H ASP 9 H ASP 9 -17.204 -0.064 -0.064 57 HA ASP 9 HA ASP 9 -16.821 1.678 1.678 58 1HB ASP 9 1HB ASP 9 -18.830 1.747 1.747 59 2HB ASP 9 2HB ASP 9 -19.461 0.303 0.303 60 H LYS 10 H LYS 10 -17.642 -1.695 -1.695 61 HA LYS 10 HA LYS 10 -18.370 -1.859 -1.859 62 1HB LYS 10 1HB LYS 10 -17.331 -4.063 -4.063 63 2HB LYS 10 2HB LYS 10 -18.051 -4.371 -4.371 64 1HG LYS 10 1HG LYS 10 -19.512 -2.957 -2.957 65 2HG LYS 10 2HG LYS 10 -19.660 -4.671 -4.671 66 1HD LYS 10 1HD LYS 10 -20.406 -3.660 -3.660 67 2HD LYS 10 2HD LYS 10 -20.729 -2.208 -2.208 68 1HE LYS 10 1HE LYS 10 -22.752 -3.187 -3.187 69 2HE LYS 10 2HE LYS 10 -21.823 -4.234 -4.234 70 1HZ LYS 10 3HZ LYS 10 -22.075 -4.913 -4.913 71 2HZ LYS 10 1HZ LYS 10 -23.282 -5.316 -5.316 72 3HZ LYS 10 2HZ LYS 10 -21.725 -5.919 -5.919 73 H LEU 11 H LEU 11 -15.406 -2.184 -2.184 74 HA LEU 11 HA LEU 11 -13.936 -2.303 -2.303 75 1HB LEU 11 1HB LEU 11 -13.122 -3.132 -3.132 76 2HB LEU 11 2HB LEU 11 -11.888 -2.759 -2.759 77 HG LEU 11 HG LEU 11 -12.141 -4.740 -4.740 78 1HD1 LEU 11 2HD1 LEU 11 -14.438 -4.187 -4.187 79 2HD1 LEU 11 3HD1 LEU 11 -15.167 -4.763 -4.763 80 3HD1 LEU 11 1HD1 LEU 11 -14.322 -5.900 -5.900 81 1HD2 LEU 11 2HD2 LEU 11 -13.529 -5.487 -5.487 82 2HD2 LEU 11 3HD2 LEU 11 -11.782 -5.526 -5.526 83 3HD2 LEU 11 1HD2 LEU 11 -12.857 -6.660 -6.660 84 H LYS 12 H LYS 12 -15.247 -0.033 -0.033 85 HA LYS 12 HA LYS 12 -13.608 1.894 1.894 86 1HB LYS 12 1HB LYS 12 -16.019 2.087 2.087 87 2HB LYS 12 2HB LYS 12 -15.158 2.630 2.630 88 1HG LYS 12 1HG LYS 12 -15.809 4.138 4.138 89 2HG LYS 12 2HG LYS 12 -15.239 4.747 4.747 90 1HD LYS 12 1HD LYS 12 -13.501 5.442 5.442 91 2HD LYS 12 2HD LYS 12 -12.855 3.848 3.848 92 1HE LYS 12 1HE LYS 12 -14.256 2.928 2.928 93 2HE LYS 12 2HE LYS 12 -14.339 4.618 4.618 94 1HZ LYS 12 3HZ LYS 12 -11.808 4.597 4.597 95 2HZ LYS 12 1HZ LYS 12 -11.954 2.926 2.926 96 3HZ LYS 12 2HZ LYS 12 -12.397 3.900 3.900 97 H GLU 13 H GLU 13 -13.792 2.196 2.196 98 HA GLU 13 HA GLU 13 -11.325 3.321 3.321 99 1HB GLU 13 1HB GLU 13 -13.249 2.187 2.187 100 2HB GLU 13 2HB GLU 13 -12.182 0.805 0.805 101 1HG GLU 13 1HG GLU 13 -10.359 2.248 2.248 102 2HG GLU 13 2HG GLU 13 -11.411 3.639 3.639 103 H PHE 14 H PHE 14 -11.507 -0.210 -0.210 104 HA PHE 14 HA PHE 14 -8.834 -0.828 -0.828 105 1HB PHE 14 1HB PHE 14 -10.042 -2.818 -2.818 106 2HB PHE 14 2HB PHE 14 -11.163 -2.287 -2.287 107 HD1 PHE 14 HD1 PHE 14 -10.157 -2.088 -2.088 108 HD2 PHE 14 HD2 PHE 14 -8.516 -4.535 -4.535 109 HE1 PHE 14 HE1 PHE 14 -9.197 -3.599 -3.599 110 HE2 PHE 14 HE2 PHE 14 -7.556 -6.045 -6.045 111 HZ PHE 14 HZ PHE 14 -7.913 -5.593 -5.593 112 H GLY 15 H GLY 15 -10.176 0.409 0.409 113 1HA GLY 15 1HA GLY 15 -7.742 -0.388 -0.388 114 2HA GLY 15 2HA GLY 15 -9.057 0.672 0.672 115 H ASN 16 H ASN 16 -9.194 2.619 2.619 116 HA ASN 16 HA ASN 16 -7.157 4.502 4.502 117 1HB ASN 16 1HB ASN 16 -9.404 4.547 4.547 118 2HB ASN 16 2HB ASN 16 -8.349 4.167 4.167 119 1HD2 ASN 16 1HD2 ASN 16 -8.678 7.820 7.820 120 2HD2 ASN 16 2HD2 ASN 16 -9.771 6.356 6.356 121 H THR 17 H THR 17 -7.104 1.976 1.976 122 HA THR 17 HA THR 17 -4.824 3.061 3.061 123 HB THR 17 HB THR 17 -5.346 0.040 0.040 124 HG1 THR 17 HG1 THR 17 -6.954 0.307 0.307 125 1HG2 THR 17 3HG2 THR 17 -4.643 1.737 1.737 126 2HG2 THR 17 1HG2 THR 17 -4.925 -0.022 -0.022 127 3HG2 THR 17 2HG2 THR 17 -3.522 0.644 0.644 128 H LEU 18 H LEU 18 -4.975 0.712 0.712 129 HA LEU 18 HA LEU 18 -2.031 0.262 0.262 130 1HB LEU 18 1HB LEU 18 -2.379 -1.471 -1.471 131 2HB LEU 18 2HB LEU 18 -4.023 -1.308 -1.308 132 HG LEU 18 HG LEU 18 -3.631 0.441 0.441 133 1HD1 LEU 18 3HD2 LEU 18 -1.858 -1.343 -1.343 134 2HD1 LEU 18 1HD2 LEU 18 -3.133 -2.566 -2.566 135 3HD1 LEU 18 2HD2 LEU 18 -3.188 -1.249 -1.249 136 1HD2 LEU 18 2HD1 LEU 18 -5.837 -0.406 -0.406 137 2HD2 LEU 18 3HD1 LEU 18 -5.658 -0.777 -0.777 138 3HD2 LEU 18 1HD1 LEU 18 -5.410 -2.049 -2.049 139 H GLU 19 H GLU 19 -4.098 2.428 2.428 140 HA GLU 19 HA GLU 19 -1.873 3.219 3.219 141 1HB GLU 19 1HB GLU 19 -4.430 3.230 3.230 142 2HB GLU 19 2HB GLU 19 -4.583 4.597 4.597 143 1HG GLU 19 1HG GLU 19 -4.557 5.335 5.335 144 2HG GLU 19 2HG GLU 19 -3.214 6.043 6.043 145 H ASP 20 H ASP 20 -2.111 3.672 3.672 146 HA ASP 20 HA ASP 20 -0.760 6.389 6.389 147 1HB ASP 20 1HB ASP 20 -2.873 6.102 6.102 148 2HB ASP 20 2HB ASP 20 -1.783 5.221 5.221 149 H LYS 21 H LYS 21 -0.591 3.279 3.279 150 HA LYS 21 HA LYS 21 2.199 3.795 3.795 151 1HB LYS 21 1HB LYS 21 0.958 0.994 0.994 152 2HB LYS 21 2HB LYS 21 2.108 1.552 1.552 153 1HG LYS 21 1HG LYS 21 0.426 2.398 2.398 154 2HG LYS 21 2HG LYS 21 -0.495 3.072 3.072 155 1HD LYS 21 1HD LYS 21 -1.496 1.125 1.125 156 2HD LYS 21 2HD LYS 21 -1.716 1.044 1.044 157 1HE LYS 21 1HE LYS 21 -0.841 -1.127 -1.127 158 2HE LYS 21 2HE LYS 21 0.679 -0.262 -0.262 159 1HZ LYS 21 1HZ LYS 21 -0.397 -0.321 -0.321 160 2HZ LYS 21 2HZ LYS 21 0.342 -1.702 -1.702 161 3HZ LYS 21 3HZ LYS 21 1.198 -0.257 -0.257 162 H ALA 22 H ALA 22 0.691 2.468 2.468 163 HA ALA 22 HA ALA 22 3.148 1.309 1.309 164 1HB ALA 22 2HB ALA 22 0.823 0.823 0.823 165 2HB ALA 22 3HB ALA 22 0.638 2.515 2.515 166 3HB ALA 22 1HB ALA 22 1.836 1.461 1.461 167 H ARG 23 H ARG 23 1.924 4.556 4.556 168 HA ARG 23 HA ARG 23 3.567 5.596 5.596 169 1HB ARG 23 1HB ARG 23 1.623 6.631 6.631 170 2HB ARG 23 2HB ARG 23 2.980 7.735 7.735 171 1HG ARG 23 1HG ARG 23 2.174 8.568 8.568 172 2HG ARG 23 2HG ARG 23 2.169 6.959 6.959 173 1HD ARG 23 1HD ARG 23 -0.117 6.744 6.744 174 2HD ARG 23 2HD ARG 23 -0.062 7.318 7.318 175 HE ARG 23 HE ARG 23 0.373 9.344 9.344 176 1HH1 ARG 23 2HH2 ARG 23 -1.750 8.137 8.137 177 2HH1 ARG 23 1HH2 ARG 23 -2.823 9.636 9.636 178 1HH2 ARG 23 1HH1 ARG 23 -0.832 10.933 10.933 179 2HH2 ARG 23 2HH1 ARG 23 -2.329 11.160 11.160 180 H GLU 24 H GLU 24 3.937 5.575 5.575 181 HA GLU 24 HA GLU 24 6.547 7.061 7.061 182 1HB GLU 24 1HB GLU 24 5.412 5.569 5.569 183 2HB GLU 24 2HB GLU 24 6.584 6.864 6.864 184 1HG GLU 24 1HG GLU 24 4.925 8.570 8.570 185 2HG GLU 24 2HG GLU 24 3.796 7.489 7.489 186 H LEU 25 H LEU 25 5.409 3.791 3.791 187 HA LEU 25 HA LEU 25 8.050 2.564 2.564 188 1HB LEU 25 1HB LEU 25 6.008 1.270 1.270 189 2HB LEU 25 2HB LEU 25 5.396 1.515 1.515 190 HG LEU 25 HG LEU 25 7.902 0.127 0.127 191 1HD1 LEU 25 2HD1 LEU 25 7.775 -0.453 -0.453 192 2HD1 LEU 25 3HD1 LEU 25 6.150 -1.146 -1.146 193 3HD1 LEU 25 1HD1 LEU 25 7.563 -1.897 -1.897 194 1HD2 LEU 25 2HD2 LEU 25 4.982 -0.898 -0.898 195 2HD2 LEU 25 3HD2 LEU 25 5.961 -0.205 -0.205 196 3HD2 LEU 25 1HD2 LEU 25 6.415 -1.765 -1.765 197 H ILE 26 H ILE 26 6.394 3.763 3.763 198 HA ILE 26 HA ILE 26 8.158 2.431 2.431 199 HB ILE 26 HB ILE 26 6.141 4.668 4.668 200 1HG1 ILE 26 1HG1 ILE 26 6.562 2.692 2.692 201 2HG1 ILE 26 2HG1 ILE 26 5.889 2.112 2.112 202 1HG2 ILE 26 2HG2 ILE 26 8.044 5.890 5.890 203 2HG2 ILE 26 3HG2 ILE 26 8.252 4.525 4.525 204 3HG2 ILE 26 1HG2 ILE 26 6.780 5.519 5.519 205 1HD1 ILE 26 2HD1 ILE 26 3.994 3.773 3.773 206 2HD1 ILE 26 3HD1 ILE 26 4.580 4.321 4.321 207 3HD1 ILE 26 1HD1 ILE 26 4.031 2.650 2.650 208 H SER 27 H SER 27 8.390 5.398 5.398 209 HA SER 27 HA SER 27 10.922 6.239 6.239 210 1HB SER 27 1HB SER 27 10.239 8.033 8.033 211 2HB SER 27 2HB SER 27 9.318 7.055 7.055 212 HG SER 27 HG SER 27 12.175 7.204 7.204 213 H ARG 28 H ARG 28 10.098 4.042 4.042 214 HA ARG 28 HA ARG 28 12.912 3.410 3.410 215 1HB ARG 28 1HB ARG 28 10.711 2.925 2.925 216 2HB ARG 28 2HB ARG 28 10.443 1.562 1.562 217 1HG ARG 28 1HG ARG 28 12.537 0.439 0.439 218 2HG ARG 28 2HG ARG 28 13.041 1.894 1.894 219 1HD ARG 28 1HD ARG 28 10.331 1.116 1.116 220 2HD ARG 28 2HD ARG 28 11.430 -0.284 -0.284 221 HE ARG 28 HE ARG 28 13.030 1.714 1.714 222 1HH1 ARG 28 2HH2 ARG 28 9.759 0.835 0.835 223 2HH1 ARG 28 1HH2 ARG 28 9.918 1.436 1.436 224 1HH2 ARG 28 1HH1 ARG 28 13.126 2.343 2.343 225 2HH2 ARG 28 2HH1 ARG 28 11.745 2.257 2.257 226 H ILE 29 H ILE 29 10.822 2.516 2.516 227 HA ILE 29 HA ILE 29 12.257 -0.089 -0.089 228 HB ILE 29 HB ILE 29 9.870 1.320 1.320 229 1HG1 ILE 29 1HG1 ILE 29 8.797 -0.252 -0.252 230 2HG1 ILE 29 2HG1 ILE 29 9.257 -1.398 -1.398 231 1HG2 ILE 29 2HG2 ILE 29 11.192 0.731 0.731 232 2HG2 ILE 29 3HG2 ILE 29 11.344 -0.953 -0.953 233 3HG2 ILE 29 1HG2 ILE 29 9.766 -0.268 -0.268 234 1HD1 ILE 29 2HD1 ILE 29 11.329 -2.069 -2.069 235 2HD1 ILE 29 3HD1 ILE 29 10.844 -0.998 -0.998 236 3HD1 ILE 29 1HD1 ILE 29 9.823 -2.376 -2.376 237 H LYS 30 H LYS 30 12.228 3.151 3.151 238 HA LYS 30 HA LYS 30 13.974 2.778 2.778 239 1HB LYS 30 1HB LYS 30 13.572 5.026 5.026 240 2HB LYS 30 2HB LYS 30 14.958 5.149 5.149 241 1HG LYS 30 1HG LYS 30 12.487 6.145 6.145 242 2HG LYS 30 2HG LYS 30 13.639 5.599 5.599 243 1HD LYS 30 1HD LYS 30 12.279 3.809 3.809 244 2HD LYS 30 2HD LYS 30 11.836 3.445 3.445 245 1HE LYS 30 1HE LYS 30 9.769 4.346 4.346 246 2HE LYS 30 2HE LYS 30 10.535 5.848 5.848 247 1HZ LYS 30 3HZ LYS 30 11.492 5.703 5.703 248 2HZ LYS 30 1HZ LYS 30 10.023 4.917 4.917 249 3HZ LYS 30 2HZ LYS 30 10.054 6.478 6.478 250 H GLN 31 H GLN 31 14.686 2.806 2.806 251 HA GLN 31 HA GLN 31 17.642 2.560 2.560 252 1HB GLN 31 1HB GLN 31 16.154 3.806 3.806 253 2HB GLN 31 2HB GLN 31 16.622 2.311 2.311 254 1HG GLN 31 1HG GLN 31 19.122 2.993 2.993 255 2HG GLN 31 2HG GLN 31 18.432 4.591 4.591 256 1HE2 GLN 31 2HE2 GLN 31 20.090 4.000 4.000 257 2HE2 GLN 31 1HE2 GLN 31 20.601 3.668 3.668 258 H SER 32 H SER 32 16.222 0.471 0.471 259 HA SER 32 HA SER 32 17.918 -1.650 -1.650 260 1HB SER 32 1HB SER 32 16.036 -3.186 -3.186 261 2HB SER 32 2HB SER 32 16.804 -2.001 -2.001 262 HG SER 32 HG SER 32 14.534 -1.964 -1.964 263 H GLU 33 H GLU 33 17.647 -0.950 -0.950 264 HA GLU 33 HA GLU 33 15.469 -2.715 -2.715 265 1HB GLU 33 1HB GLU 33 16.386 0.071 0.071 266 2HB GLU 33 2HB GLU 33 16.544 -0.823 -0.823 267 1HG GLU 33 1HG GLU 33 13.942 -1.549 -1.549 268 2HG GLU 33 2HG GLU 33 14.002 -0.036 -0.036 269 H LEU 34 H LEU 34 18.266 -3.409 -3.409 270 HA LEU 34 HA LEU 34 18.892 -4.683 -4.683 271 1HB LEU 34 1HB LEU 34 21.296 -4.916 -4.916 272 2HB LEU 34 2HB LEU 34 20.791 -3.276 -3.276 273 HG LEU 34 HG LEU 34 20.633 -4.340 -4.340 274 1HD1 LEU 34 2HD1 LEU 34 22.953 -4.841 -4.841 275 2HD1 LEU 34 3HD1 LEU 34 23.156 -3.149 -3.149 276 3HD1 LEU 34 1HD1 LEU 34 22.976 -3.542 -3.542 277 1HD2 LEU 34 2HD2 LEU 34 21.042 -1.495 -1.495 278 2HD2 LEU 34 3HD2 LEU 34 19.580 -2.122 -2.122 279 3HD2 LEU 34 1HD2 LEU 34 21.060 -1.900 -1.900 280 H SER 35 H SER 35 18.637 -5.114 -5.114 281 HA SER 35 HA SER 35 18.708 -7.105 -7.105 282 1HB SER 35 1HB SER 35 17.890 -8.846 -8.846 283 2HB SER 35 2HB SER 35 17.324 -8.915 -8.915 284 HG SER 35 HG SER 35 16.204 -7.716 -7.716 285 H ALA 36 H ALA 36 20.983 -6.186 -6.186 286 HA ALA 36 HA ALA 36 22.301 -8.455 -8.455 287 1HB ALA 36 2HB ALA 36 22.868 -6.038 -6.038 288 2HB ALA 36 3HB ALA 36 23.473 -5.841 -5.841 289 3HB ALA 36 1HB ALA 36 24.323 -6.910 -6.910 290 H LYS 37 H LYS 37 23.087 -6.827 -6.827 291 HA LYS 37 HA LYS 37 23.587 -9.503 -9.503 292 1HB LYS 37 1HB LYS 37 25.763 -8.875 -8.875 293 2HB LYS 37 2HB LYS 37 25.912 -7.483 -7.483 294 1HG LYS 37 1HG LYS 37 26.833 -8.783 -8.783 295 2HG LYS 37 2HG LYS 37 25.475 -9.905 -9.905 296 1HD LYS 37 1HD LYS 37 26.603 -11.273 -11.273 297 2HD LYS 37 2HD LYS 37 27.780 -9.994 -9.994 298 1HE LYS 37 1HE LYS 37 27.529 -11.518 -11.518 299 2HE LYS 37 2HE LYS 37 28.845 -11.697 -11.697 300 1HZ LYS 37 1HZ LYS 37 29.154 -9.195 -9.195 301 2HZ LYS 37 2HZ LYS 37 28.192 -9.328 -9.328 302 3HZ LYS 37 3HZ LYS 37 29.636 -10.184 -10.184 303 H MET 38 H MET 38 21.781 -7.343 -7.343 304 HA MET 38 HA MET 38 22.830 -5.893 -5.893 305 1HB MET 38 1HB MET 38 21.944 -4.272 -4.272 306 2HB MET 38 2HB MET 38 20.721 -5.360 -5.360 307 1HG MET 38 1HG MET 38 19.121 -4.452 -4.452 308 2HG MET 38 2HG MET 38 20.070 -4.862 -4.862 309 1HE MET 38 3HE MET 38 19.961 -3.437 -3.437 310 2HE MET 38 2HE MET 38 21.570 -2.655 -2.655 311 3HE MET 38 1HE MET 38 20.087 -1.651 -1.651 Start of MODEL 18 1 1H THR 1 3H THR 1 -19.675 -12.855 -12.855 2 2H THR 1 1H THR 1 -18.946 -12.369 -12.369 3 3H THR 1 2H THR 1 -18.011 -13.012 -13.012 4 HA THR 1 HA THR 1 -18.179 -11.187 -11.187 5 HB THR 1 HB THR 1 -18.316 -9.617 -9.617 6 HG1 THR 1 HG1 THR 1 -16.389 -10.530 -10.530 7 1HG2 THR 1 3HG2 THR 1 -16.013 -9.915 -9.915 8 2HG2 THR 1 1HG2 THR 1 -16.023 -8.797 -8.797 9 3HG2 THR 1 2HG2 THR 1 -17.164 -8.559 -8.559 10 HA PRO 2 HA PRO 2 -21.976 -9.036 -9.036 11 1HB PRO 2 1HB PRO 2 -20.188 -6.593 -6.593 12 2HB PRO 2 2HB PRO 2 -21.455 -7.191 -7.191 13 1HG PRO 2 1HG PRO 2 -18.689 -7.570 -7.570 14 2HG PRO 2 2HG PRO 2 -20.036 -8.815 -8.815 15 1HD PRO 2 1HD PRO 2 -18.167 -8.356 -8.356 16 2HD PRO 2 2HD PRO 2 -18.410 -9.901 -9.901 17 H ASP 3 H ASP 3 -22.604 -6.433 -6.433 18 HA ASP 3 HA ASP 3 -23.621 -6.242 -6.242 19 1HB ASP 3 1HB ASP 3 -23.837 -4.557 -4.557 20 2HB ASP 3 2HB ASP 3 -22.447 -3.752 -3.752 21 H VAL 4 H VAL 4 -20.358 -5.692 -5.692 22 HA VAL 4 HA VAL 4 -18.437 -5.009 -5.009 23 HB VAL 4 HB VAL 4 -19.281 -7.391 -7.391 24 1HG1 VAL 4 1HG2 VAL 4 -19.643 -5.773 -5.773 25 2HG1 VAL 4 2HG2 VAL 4 -19.567 -7.548 -7.548 26 3HG1 VAL 4 3HG2 VAL 4 -20.910 -6.686 -6.686 27 1HG2 VAL 4 2HG1 VAL 4 -16.862 -6.647 -6.647 28 2HG2 VAL 4 3HG1 VAL 4 -17.344 -7.613 -7.613 29 3HG2 VAL 4 1HG1 VAL 4 -17.196 -5.843 -5.843 30 H SER 5 H SER 5 -20.646 -3.217 -3.217 31 HA SER 5 HA SER 5 -19.593 -1.607 -1.607 32 1HB SER 5 1HB SER 5 -21.599 -2.186 -2.186 33 2HB SER 5 2HB SER 5 -22.525 -2.358 -2.358 34 HG SER 5 HG SER 5 -22.887 -0.230 -0.230 35 H SER 6 H SER 6 -21.599 -1.670 -1.670 36 HA SER 6 HA SER 6 -20.267 0.993 0.993 37 1HB SER 6 1HB SER 6 -22.911 0.753 0.753 38 2HB SER 6 2HB SER 6 -22.773 -0.110 -0.110 39 HG SER 6 HG SER 6 -22.954 2.412 2.412 40 H ALA 7 H ALA 7 -18.993 -1.506 -1.506 41 HA ALA 7 HA ALA 7 -18.997 -2.175 -2.175 42 1HB ALA 7 2HB ALA 7 -18.908 -4.039 -4.039 43 2HB ALA 7 3HB ALA 7 -17.408 -3.370 -3.370 44 3HB ALA 7 1HB ALA 7 -17.419 -4.038 -4.038 45 H LEU 8 H LEU 8 -17.199 -0.382 -0.382 46 HA LEU 8 HA LEU 8 -14.854 0.050 0.050 47 1HB LEU 8 1HB LEU 8 -15.221 0.576 0.576 48 2HB LEU 8 2HB LEU 8 -15.856 2.107 2.107 49 HG LEU 8 HG LEU 8 -13.263 1.715 1.715 50 1HD1 LEU 8 2HD1 LEU 8 -14.372 3.917 3.917 51 2HD1 LEU 8 3HD1 LEU 8 -14.203 3.643 3.643 52 3HD1 LEU 8 1HD1 LEU 8 -12.758 3.846 3.846 53 1HD2 LEU 8 2HD2 LEU 8 -13.247 1.270 1.270 54 2HD2 LEU 8 3HD2 LEU 8 -12.660 0.141 0.141 55 3HD2 LEU 8 1HD2 LEU 8 -11.811 1.668 1.668 56 H ASP 9 H ASP 9 -17.991 1.516 1.516 57 HA ASP 9 HA ASP 9 -17.569 3.729 3.729 58 1HB ASP 9 1HB ASP 9 -19.749 3.260 3.260 59 2HB ASP 9 2HB ASP 9 -20.088 1.936 1.936 60 H LYS 10 H LYS 10 -17.970 0.337 0.337 61 HA LYS 10 HA LYS 10 -18.129 0.698 0.698 62 1HB LYS 10 1HB LYS 10 -17.613 -1.685 -1.685 63 2HB LYS 10 2HB LYS 10 -17.340 -1.881 -1.881 64 1HG LYS 10 1HG LYS 10 -19.721 -1.335 -1.335 65 2HG LYS 10 2HG LYS 10 -20.013 -0.814 -0.814 66 1HD LYS 10 1HD LYS 10 -20.017 -3.094 -3.094 67 2HD LYS 10 2HD LYS 10 -19.118 -3.688 -3.688 68 1HE LYS 10 1HE LYS 10 -21.028 -3.327 -3.327 69 2HE LYS 10 2HE LYS 10 -21.924 -2.399 -2.399 70 1HZ LYS 10 1HZ LYS 10 -21.624 -4.560 -4.560 71 2HZ LYS 10 2HZ LYS 10 -21.415 -5.291 -5.291 72 3HZ LYS 10 3HZ LYS 10 -22.835 -4.455 -4.455 73 H LEU 11 H LEU 11 -15.580 0.227 0.227 74 HA LEU 11 HA LEU 11 -13.571 0.206 0.206 75 1HB LEU 11 1HB LEU 11 -13.538 -0.674 -0.674 76 2HB LEU 11 2HB LEU 11 -12.020 -0.078 -0.078 77 HG LEU 11 HG LEU 11 -11.550 -2.077 -2.077 78 1HD1 LEU 11 2HD1 LEU 11 -12.764 -1.344 -1.344 79 2HD1 LEU 11 3HD1 LEU 11 -14.287 -2.020 -2.020 80 3HD1 LEU 11 1HD1 LEU 11 -12.921 -3.094 -3.094 81 1HD2 LEU 11 2HD2 LEU 11 -14.315 -2.996 -2.996 82 2HD2 LEU 11 3HD2 LEU 11 -12.754 -3.091 -3.091 83 3HD2 LEU 11 1HD2 LEU 11 -13.027 -4.089 -4.089 84 H LYS 12 H LYS 12 -15.078 2.517 2.517 85 HA LYS 12 HA LYS 12 -12.895 4.397 4.397 86 1HB LYS 12 1HB LYS 12 -15.361 4.840 4.840 87 2HB LYS 12 2HB LYS 12 -15.687 4.975 4.975 88 1HG LYS 12 1HG LYS 12 -15.356 7.254 7.254 89 2HG LYS 12 2HG LYS 12 -13.657 6.842 6.842 90 1HD LYS 12 1HD LYS 12 -14.588 6.439 6.439 91 2HD LYS 12 2HD LYS 12 -14.905 8.087 8.087 92 1HE LYS 12 1HE LYS 12 -12.418 8.028 8.028 93 2HE LYS 12 2HE LYS 12 -12.173 6.632 6.632 94 1HZ LYS 12 3HZ LYS 12 -13.256 8.164 8.164 95 2HZ LYS 12 1HZ LYS 12 -12.806 9.410 9.410 96 3HZ LYS 12 2HZ LYS 12 -11.640 8.370 8.370 97 H GLU 13 H GLU 13 -11.639 3.184 3.184 98 HA GLU 13 HA GLU 13 -11.139 4.816 4.816 99 1HB GLU 13 1HB GLU 13 -13.664 3.864 3.864 100 2HB GLU 13 2HB GLU 13 -12.836 2.434 2.434 101 1HG GLU 13 1HG GLU 13 -13.592 4.128 4.128 102 2HG GLU 13 2HG GLU 13 -11.950 3.552 3.552 103 H PHE 14 H PHE 14 -11.734 1.401 1.401 104 HA PHE 14 HA PHE 14 -9.159 0.503 0.503 105 1HB PHE 14 1HB PHE 14 -10.722 -1.265 -1.265 106 2HB PHE 14 2HB PHE 14 -11.517 -0.773 -0.773 107 HD1 PHE 14 HD2 PHE 14 -8.108 -2.114 -2.114 108 HD2 PHE 14 HD1 PHE 14 -11.320 -2.191 -2.191 109 HE1 PHE 14 HE2 PHE 14 -6.979 -3.927 -3.927 110 HE2 PHE 14 HE1 PHE 14 -10.182 -3.991 -3.991 111 HZ PHE 14 HZ PHE 14 -8.001 -4.852 -4.852 112 H GLY 15 H GLY 15 -10.104 1.737 1.737 113 1HA GLY 15 1HA GLY 15 -7.651 0.481 0.481 114 2HA GLY 15 2HA GLY 15 -8.860 1.497 1.497 115 H ASN 16 H ASN 16 -8.983 3.631 3.631 116 HA ASN 16 HA ASN 16 -6.732 5.294 5.294 117 1HB ASN 16 1HB ASN 16 -8.848 6.226 6.226 118 2HB ASN 16 2HB ASN 16 -8.659 5.371 5.371 119 1HD2 ASN 16 1HD2 ASN 16 -7.562 8.620 8.620 120 2HD2 ASN 16 2HD2 ASN 16 -8.974 7.430 7.430 121 H THR 17 H THR 17 -7.025 2.894 2.894 122 HA THR 17 HA THR 17 -4.893 3.937 3.937 123 HB THR 17 HB THR 17 -5.952 1.057 1.057 124 HG1 THR 17 HG1 THR 17 -7.054 1.554 1.554 125 1HG2 THR 17 3HG2 THR 17 -4.276 2.131 2.131 126 2HG2 THR 17 1HG2 THR 17 -5.077 0.543 0.543 127 3HG2 THR 17 2HG2 THR 17 -3.736 0.892 0.892 128 H LEU 18 H LEU 18 -4.916 1.842 1.842 129 HA LEU 18 HA LEU 18 -2.110 1.006 1.006 130 1HB LEU 18 1HB LEU 18 -3.438 1.399 1.399 131 2HB LEU 18 2HB LEU 18 -2.321 0.146 0.146 132 HG LEU 18 HG LEU 18 -5.326 0.317 0.317 133 1HD1 LEU 18 3HD2 LEU 18 -4.206 -1.099 -1.099 134 2HD1 LEU 18 1HD2 LEU 18 -3.510 -2.123 -2.123 135 3HD1 LEU 18 2HD2 LEU 18 -5.283 -2.030 -2.030 136 1HD2 LEU 18 2HD1 LEU 18 -4.389 0.068 0.068 137 2HD2 LEU 18 3HD1 LEU 18 -5.305 -1.369 -1.369 138 3HD2 LEU 18 1HD1 LEU 18 -3.525 -1.393 -1.393 139 H GLU 19 H GLU 19 -3.596 3.906 3.906 140 HA GLU 19 HA GLU 19 -0.863 4.818 4.818 141 1HB GLU 19 1HB GLU 19 -3.293 5.005 5.005 142 2HB GLU 19 2HB GLU 19 -3.475 6.421 6.421 143 1HG GLU 19 1HG GLU 19 -0.872 6.594 6.594 144 2HG GLU 19 2HG GLU 19 -2.095 6.187 6.187 145 H ASP 20 H ASP 20 -1.551 4.519 4.519 146 HA ASP 20 HA ASP 20 -0.530 7.313 7.313 147 1HB ASP 20 1HB ASP 20 -3.039 6.124 6.124 148 2HB ASP 20 2HB ASP 20 -1.927 6.296 6.296 149 H LYS 21 H LYS 21 -1.031 4.115 4.115 150 HA LYS 21 HA LYS 21 1.435 4.372 4.372 151 1HB LYS 21 1HB LYS 21 0.979 2.016 2.016 152 2HB LYS 21 2HB LYS 21 -0.518 2.938 2.938 153 1HG LYS 21 1HG LYS 21 -1.029 0.793 0.793 154 2HG LYS 21 2HG LYS 21 -1.091 2.016 2.016 155 1HD LYS 21 1HD LYS 21 0.531 0.901 0.901 156 2HD LYS 21 2HD LYS 21 1.630 0.878 0.878 157 1HE LYS 21 1HE LYS 21 -0.658 -0.953 -0.953 158 2HE LYS 21 2HE LYS 21 0.125 -1.377 -1.377 159 1HZ LYS 21 2HZ LYS 21 2.184 -0.786 -0.786 160 2HZ LYS 21 3HZ LYS 21 1.097 -1.726 -1.726 161 3HZ LYS 21 1HZ LYS 21 1.726 -2.298 -2.298 162 H ALA 22 H ALA 22 0.730 3.254 3.254 163 HA ALA 22 HA ALA 22 3.308 1.795 1.795 164 1HB ALA 22 2HB ALA 22 1.303 1.381 1.381 165 2HB ALA 22 3HB ALA 22 1.377 3.053 3.053 166 3HB ALA 22 1HB ALA 22 2.684 1.904 1.904 167 H ARG 23 H ARG 23 2.310 5.109 5.109 168 HA ARG 23 HA ARG 23 4.650 6.215 6.215 169 1HB ARG 23 1HB ARG 23 2.533 7.149 7.149 170 2HB ARG 23 2HB ARG 23 4.052 7.989 7.989 171 1HG ARG 23 1HG ARG 23 2.596 9.250 9.250 172 2HG ARG 23 2HG ARG 23 4.063 8.715 8.715 173 1HD ARG 23 1HD ARG 23 1.792 6.735 6.735 174 2HD ARG 23 2HD ARG 23 1.451 8.307 8.307 175 HE ARG 23 HE ARG 23 4.119 7.030 7.030 176 1HH1 ARG 23 2HH2 ARG 23 0.926 7.767 7.767 177 2HH1 ARG 23 1HH2 ARG 23 1.391 7.427 7.427 178 1HH2 ARG 23 1HH1 ARG 23 4.548 6.680 6.680 179 2HH2 ARG 23 2HH1 ARG 23 3.358 6.835 6.835 180 H GLU 24 H GLU 24 4.155 5.147 5.147 181 HA GLU 24 HA GLU 24 6.819 6.216 6.216 182 1HB GLU 24 1HB GLU 24 5.066 4.173 4.173 183 2HB GLU 24 2HB GLU 24 6.264 5.239 5.239 184 1HG GLU 24 1HG GLU 24 4.823 7.165 7.165 185 2HG GLU 24 2HG GLU 24 3.856 6.535 6.535 186 H LEU 25 H LEU 25 5.435 3.051 3.051 187 HA LEU 25 HA LEU 25 7.939 1.560 1.560 188 1HB LEU 25 1HB LEU 25 6.292 -0.034 -0.034 189 2HB LEU 25 2HB LEU 25 5.247 1.036 1.036 190 HG LEU 25 HG LEU 25 7.613 -0.322 -0.322 191 1HD1 LEU 25 2HD1 LEU 25 6.374 -2.130 -2.130 192 2HD1 LEU 25 3HD1 LEU 25 4.838 -1.606 -1.606 193 3HD1 LEU 25 1HD1 LEU 25 6.136 -2.274 -2.274 194 1HD2 LEU 25 2HD2 LEU 25 4.837 0.622 0.622 195 2HD2 LEU 25 3HD2 LEU 25 6.412 1.379 1.379 196 3HD2 LEU 25 1HD2 LEU 25 6.054 -0.224 -0.224 197 H ILE 26 H ILE 26 6.843 3.577 3.577 198 HA ILE 26 HA ILE 26 8.831 2.574 2.574 199 HB ILE 26 HB ILE 26 7.090 5.076 5.076 200 1HG1 ILE 26 1HG1 ILE 26 7.279 3.217 3.217 201 2HG1 ILE 26 2HG1 ILE 26 6.326 2.762 2.762 202 1HG2 ILE 26 2HG2 ILE 26 9.259 6.007 6.007 203 2HG2 ILE 26 3HG2 ILE 26 9.266 4.749 4.749 204 3HG2 ILE 26 1HG2 ILE 26 8.017 6.012 6.012 205 1HD1 ILE 26 2HD1 ILE 26 4.912 4.843 4.843 206 2HD1 ILE 26 3HD1 ILE 26 5.782 5.291 5.291 207 3HD1 ILE 26 1HD1 ILE 26 4.826 3.800 3.800 208 H SER 27 H SER 27 8.880 4.926 4.926 209 HA SER 27 HA SER 27 11.589 5.934 5.934 210 1HB SER 27 1HB SER 27 10.647 7.367 7.367 211 2HB SER 27 2HB SER 27 9.727 6.112 6.112 212 HG SER 27 HG SER 27 12.507 6.707 6.707 213 H ARG 28 H ARG 28 10.312 3.220 3.220 214 HA ARG 28 HA ARG 28 12.969 2.184 2.184 215 1HB ARG 28 1HB ARG 28 11.123 1.269 1.269 216 2HB ARG 28 2HB ARG 28 10.116 1.094 1.094 217 1HG ARG 28 1HG ARG 28 11.989 -0.798 -0.798 218 2HG ARG 28 2HG ARG 28 12.334 -0.759 -0.759 219 1HD ARG 28 1HD ARG 28 9.432 -1.045 -1.045 220 2HD ARG 28 2HD ARG 28 10.521 -2.456 -2.456 221 HE ARG 28 HE ARG 28 9.573 -0.884 -0.884 222 1HH1 ARG 28 2HH2 ARG 28 11.534 -3.500 -3.500 223 2HH1 ARG 28 1HH2 ARG 28 11.694 -4.237 -4.237 224 1HH2 ARG 28 1HH1 ARG 28 9.791 -1.737 -1.737 225 2HH2 ARG 28 2HH1 ARG 28 10.746 -3.285 -3.285 226 H ILE 29 H ILE 29 11.137 2.152 2.152 227 HA ILE 29 HA ILE 29 12.442 -0.316 -0.316 228 HB ILE 29 HB ILE 29 10.489 1.738 1.738 229 1HG1 ILE 29 1HG1 ILE 29 9.939 -0.954 -0.954 230 2HG1 ILE 29 2HG1 ILE 29 10.368 -1.091 -1.091 231 1HG2 ILE 29 2HG2 ILE 29 12.151 1.694 1.694 232 2HG2 ILE 29 3HG2 ILE 29 12.064 -0.083 -0.083 233 3HG2 ILE 29 1HG2 ILE 29 10.661 0.921 0.921 234 1HD1 ILE 29 2HD1 ILE 29 8.619 0.598 0.598 235 2HD1 ILE 29 3HD1 ILE 29 8.075 0.688 0.688 236 3HD1 ILE 29 1HD1 ILE 29 7.945 -0.838 -0.838 237 H LYS 30 H LYS 30 12.946 3.121 3.121 238 HA LYS 30 HA LYS 30 15.089 3.121 3.121 239 1HB LYS 30 1HB LYS 30 14.362 4.865 4.865 240 2HB LYS 30 2HB LYS 30 15.956 5.089 5.089 241 1HG LYS 30 1HG LYS 30 14.006 6.600 6.600 242 2HG LYS 30 2HG LYS 30 15.071 5.855 5.855 243 1HD LYS 30 1HD LYS 30 12.975 3.960 3.960 244 2HD LYS 30 2HD LYS 30 12.150 5.521 5.521 245 1HE LYS 30 1HE LYS 30 13.098 6.363 6.363 246 2HE LYS 30 2HE LYS 30 14.099 4.914 4.914 247 1HZ LYS 30 2HZ LYS 30 11.202 4.563 4.563 248 2HZ LYS 30 3HZ LYS 30 11.777 5.065 5.065 249 3HZ LYS 30 1HZ LYS 30 12.301 3.608 3.608 250 H GLN 31 H GLN 31 15.010 2.191 2.191 251 HA GLN 31 HA GLN 31 18.021 1.868 1.868 252 1HB GLN 31 1HB GLN 31 16.126 2.636 2.636 253 2HB GLN 31 2HB GLN 31 16.381 0.947 0.947 254 1HG GLN 31 1HG GLN 31 19.011 1.615 1.615 255 2HG GLN 31 2HG GLN 31 18.428 3.259 3.259 256 1HE2 GLN 31 2HE2 GLN 31 18.712 1.034 1.034 257 2HE2 GLN 31 1HE2 GLN 31 19.094 0.346 0.346 258 H SER 32 H SER 32 16.788 0.256 0.256 259 HA SER 32 HA SER 32 18.067 -2.261 -2.261 260 1HB SER 32 1HB SER 32 15.315 -2.985 -2.985 261 2HB SER 32 2HB SER 32 16.277 -3.715 -3.715 262 HG SER 32 HG SER 32 14.393 -2.636 -2.636 263 H GLU 33 H GLU 33 18.674 -0.457 -0.457 264 HA GLU 33 HA GLU 33 17.731 -1.744 -1.744 265 1HB GLU 33 1HB GLU 33 18.154 1.057 1.057 266 2HB GLU 33 2HB GLU 33 18.988 0.772 0.772 267 1HG GLU 33 1HG GLU 33 16.170 -0.234 -0.234 268 2HG GLU 33 2HG GLU 33 16.196 1.435 1.435 269 H LEU 34 H LEU 34 19.789 -2.765 -2.765 270 HA LEU 34 HA LEU 34 22.415 -1.812 -1.812 271 1HB LEU 34 1HB LEU 34 23.333 -3.831 -3.831 272 2HB LEU 34 2HB LEU 34 22.163 -3.012 -3.012 273 HG LEU 34 HG LEU 34 21.354 -5.422 -5.422 274 1HD1 LEU 34 2HD1 LEU 34 23.359 -6.090 -6.090 275 2HD1 LEU 34 3HD1 LEU 34 22.566 -5.494 -5.494 276 3HD1 LEU 34 1HD1 LEU 34 21.893 -6.888 -6.888 277 1HD2 LEU 34 2HD2 LEU 34 20.205 -4.253 -4.253 278 2HD2 LEU 34 3HD2 LEU 34 19.445 -4.219 -4.219 279 3HD2 LEU 34 1HD2 LEU 34 19.644 -5.761 -5.761 280 H SER 35 H SER 35 20.134 -3.615 -3.615 281 HA SER 35 HA SER 35 20.266 -4.536 -4.536 282 1HB SER 35 1HB SER 35 23.126 -3.719 -3.719 283 2HB SER 35 2HB SER 35 22.964 -5.226 -5.226 284 HG SER 35 HG SER 35 22.285 -2.665 -2.665 285 H ALA 36 H ALA 36 20.351 -5.607 -5.607 286 HA ALA 36 HA ALA 36 19.736 -7.810 -7.810 287 1HB ALA 36 2HB ALA 36 18.568 -7.981 -7.981 288 2HB ALA 36 3HB ALA 36 20.079 -8.514 -8.514 289 3HB ALA 36 1HB ALA 36 19.278 -9.548 -9.548 290 H LYS 37 H LYS 37 21.629 -7.603 -7.603 291 HA LYS 37 HA LYS 37 23.747 -8.404 -8.404 292 1HB LYS 37 1HB LYS 37 22.071 -10.616 -10.616 293 2HB LYS 37 2HB LYS 37 23.593 -11.018 -11.018 294 1HG LYS 37 1HG LYS 37 24.817 -10.781 -10.781 295 2HG LYS 37 2HG LYS 37 23.340 -10.229 -10.229 296 1HD LYS 37 1HD LYS 37 22.538 -12.697 -12.697 297 2HD LYS 37 2HD LYS 37 24.269 -12.990 -12.990 298 1HE LYS 37 1HE LYS 37 23.593 -13.449 -13.449 299 2HE LYS 37 2HE LYS 37 23.733 -11.694 -11.694 300 1HZ LYS 37 2HZ LYS 37 21.211 -12.604 -12.604 301 2HZ LYS 37 3HZ LYS 37 21.498 -13.056 -13.056 302 3HZ LYS 37 1HZ LYS 37 21.522 -11.430 -11.430 303 H MET 38 H MET 38 23.661 -6.964 -6.964 304 HA MET 38 HA MET 38 25.860 -8.105 -8.105 305 1HB MET 38 1HB MET 38 24.862 -6.474 -6.474 306 2HB MET 38 2HB MET 38 24.199 -5.634 -5.634 307 1HG MET 38 1HG MET 38 25.917 -4.059 -4.059 308 2HG MET 38 2HG MET 38 27.164 -5.241 -5.241 309 1HE MET 38 2HE MET 38 28.374 -5.009 -5.009 310 2HE MET 38 1HE MET 38 28.052 -4.402 -4.402 311 3HE MET 38 3HE MET 38 28.228 -3.250 -3.250 Start of MODEL 19 1 1H THR 1 3H THR 1 -17.758 -10.643 -10.643 2 2H THR 1 1H THR 1 -16.559 -9.473 -9.473 3 3H THR 1 2H THR 1 -16.162 -11.103 -11.103 4 HA THR 1 HA THR 1 -16.971 -11.362 -11.362 5 HB THR 1 HB THR 1 -15.243 -9.202 -9.202 6 HG1 THR 1 HG1 THR 1 -14.869 -9.376 -9.376 7 1HG2 THR 1 3HG2 THR 1 -17.449 -8.138 -8.138 8 2HG2 THR 1 1HG2 THR 1 -15.841 -7.409 -7.409 9 3HG2 THR 1 2HG2 THR 1 -17.000 -7.404 -7.404 10 HA PRO 2 HA PRO 2 -21.065 -10.216 -10.216 11 1HB PRO 2 1HB PRO 2 -19.769 -9.231 -9.231 12 2HB PRO 2 2HB PRO 2 -21.209 -10.428 -10.428 13 1HG PRO 2 1HG PRO 2 -18.605 -11.303 -11.303 14 2HG PRO 2 2HG PRO 2 -19.795 -12.130 -12.130 15 1HD PRO 2 1HD PRO 2 -17.466 -10.091 -10.091 16 2HD PRO 2 2HD PRO 2 -17.671 -11.690 -11.690 17 H ASP 3 H ASP 3 -21.926 -8.429 -8.429 18 HA ASP 3 HA ASP 3 -22.269 -5.991 -5.991 19 1HB ASP 3 1HB ASP 3 -23.372 -6.597 -6.597 20 2HB ASP 3 2HB ASP 3 -21.846 -6.344 -6.344 21 H VAL 4 H VAL 4 -20.780 -5.170 -5.170 22 HA VAL 4 HA VAL 4 -18.237 -4.199 -4.199 23 HB VAL 4 HB VAL 4 -18.277 -5.225 -5.225 24 1HG1 VAL 4 1HG2 VAL 4 -19.473 -2.508 -2.508 25 2HG1 VAL 4 2HG2 VAL 4 -18.779 -3.745 -3.745 26 3HG1 VAL 4 3HG2 VAL 4 -20.242 -4.103 -4.103 27 1HG2 VAL 4 2HG1 VAL 4 -16.293 -3.845 -3.845 28 2HG2 VAL 4 3HG1 VAL 4 -16.572 -3.701 -3.701 29 3HG2 VAL 4 1HG1 VAL 4 -17.059 -2.377 -2.377 30 H SER 5 H SER 5 -17.598 -2.133 -2.133 31 HA SER 5 HA SER 5 -17.843 0.249 0.249 32 1HB SER 5 1HB SER 5 -20.587 -0.481 -0.481 33 2HB SER 5 2HB SER 5 -20.443 1.104 1.104 34 HG SER 5 HG SER 5 -19.619 0.275 0.275 35 H SER 6 H SER 6 -20.204 -1.766 -1.766 36 HA SER 6 HA SER 6 -19.798 0.073 0.073 37 1HB SER 6 1HB SER 6 -22.058 -1.892 -1.892 38 2HB SER 6 2HB SER 6 -21.837 -1.342 -1.342 39 HG SER 6 HG SER 6 -22.912 0.353 0.353 40 H ALA 7 H ALA 7 -17.855 -1.725 -1.725 41 HA ALA 7 HA ALA 7 -17.913 -3.866 -3.866 42 1HB ALA 7 2HB ALA 7 -17.961 -4.786 -4.786 43 2HB ALA 7 3HB ALA 7 -16.485 -3.878 -3.878 44 3HB ALA 7 1HB ALA 7 -16.422 -5.205 -5.205 45 H LEU 8 H LEU 8 -16.193 -1.247 -1.247 46 HA LEU 8 HA LEU 8 -13.785 -1.654 -1.654 47 1HB LEU 8 1HB LEU 8 -13.945 -0.325 -0.325 48 2HB LEU 8 2HB LEU 8 -14.660 0.972 0.972 49 HG LEU 8 HG LEU 8 -12.588 1.227 1.227 50 1HD1 LEU 8 2HD1 LEU 8 -11.853 -1.175 -1.175 51 2HD1 LEU 8 3HD1 LEU 8 -11.438 -1.078 -1.078 52 3HD1 LEU 8 1HD1 LEU 8 -10.538 -0.112 -0.112 53 1HD2 LEU 8 2HD2 LEU 8 -12.041 1.180 1.180 54 2HD2 LEU 8 3HD2 LEU 8 -12.671 2.547 2.547 55 3HD2 LEU 8 1HD2 LEU 8 -11.013 1.995 1.995 56 H ASP 9 H ASP 9 -16.902 -0.220 -0.220 57 HA ASP 9 HA ASP 9 -16.490 1.477 1.477 58 1HB ASP 9 1HB ASP 9 -18.778 1.018 1.018 59 2HB ASP 9 2HB ASP 9 -18.752 -0.607 -0.607 60 H LYS 10 H LYS 10 -16.544 -2.030 -2.030 61 HA LYS 10 HA LYS 10 -16.300 -2.271 -2.271 62 1HB LYS 10 1HB LYS 10 -16.214 -4.086 -4.086 63 2HB LYS 10 2HB LYS 10 -15.119 -4.612 -4.612 64 1HG LYS 10 1HG LYS 10 -17.908 -3.820 -3.820 65 2HG LYS 10 2HG LYS 10 -17.835 -5.237 -5.237 66 1HD LYS 10 1HD LYS 10 -15.978 -6.080 -6.080 67 2HD LYS 10 2HD LYS 10 -16.543 -4.763 -4.763 68 1HE LYS 10 1HE LYS 10 -18.661 -6.589 -6.589 69 2HE LYS 10 2HE LYS 10 -17.740 -7.223 -7.223 70 1HZ LYS 10 1HZ LYS 10 -18.625 -4.505 -4.505 71 2HZ LYS 10 2HZ LYS 10 -19.885 -5.600 -5.600 72 3HZ LYS 10 3HZ LYS 10 -18.745 -5.842 -5.842 73 H LEU 11 H LEU 11 -14.039 -1.963 -1.963 74 HA LEU 11 HA LEU 11 -11.750 -2.180 -2.180 75 1HB LEU 11 1HB LEU 11 -12.026 -2.238 -2.238 76 2HB LEU 11 2HB LEU 11 -10.527 -1.580 -1.580 77 HG LEU 11 HG LEU 11 -9.731 -3.629 -3.629 78 1HD1 LEU 11 2HD1 LEU 11 -11.587 -4.047 -4.047 79 2HD1 LEU 11 3HD1 LEU 11 -12.634 -4.654 -4.654 80 3HD1 LEU 11 1HD1 LEU 11 -11.153 -5.536 -5.536 81 1HD2 LEU 11 2HD2 LEU 11 -11.742 -4.490 -4.490 82 2HD2 LEU 11 3HD2 LEU 11 -10.065 -3.940 -3.940 83 3HD2 LEU 11 1HD2 LEU 11 -10.370 -5.477 -5.477 84 H LYS 12 H LYS 12 -13.765 0.147 0.147 85 HA LYS 12 HA LYS 12 -11.890 2.405 2.405 86 1HB LYS 12 1HB LYS 12 -14.657 2.238 2.238 87 2HB LYS 12 2HB LYS 12 -14.197 2.814 2.814 88 1HG LYS 12 1HG LYS 12 -14.695 4.756 4.756 89 2HG LYS 12 2HG LYS 12 -12.990 4.785 4.785 90 1HD LYS 12 1HD LYS 12 -12.370 4.656 4.656 91 2HD LYS 12 2HD LYS 12 -13.451 3.285 3.285 92 1HE LYS 12 1HE LYS 12 -14.401 5.068 5.068 93 2HE LYS 12 2HE LYS 12 -15.455 5.003 5.003 94 1HZ LYS 12 2HZ LYS 12 -13.069 6.741 6.741 95 2HZ LYS 12 3HZ LYS 12 -14.471 7.245 7.245 96 3HZ LYS 12 1HZ LYS 12 -14.508 6.878 6.878 97 H GLU 13 H GLU 13 -11.207 3.887 3.887 98 HA GLU 13 HA GLU 13 -9.762 4.049 4.049 99 1HB GLU 13 1HB GLU 13 -11.851 2.708 2.708 100 2HB GLU 13 2HB GLU 13 -10.747 1.354 1.354 101 1HG GLU 13 1HG GLU 13 -10.551 2.277 2.277 102 2HG GLU 13 2HG GLU 13 -9.102 2.840 2.840 103 H PHE 14 H PHE 14 -9.901 0.509 0.509 104 HA PHE 14 HA PHE 14 -7.255 -0.193 -0.193 105 1HB PHE 14 1HB PHE 14 -9.591 -1.358 -1.358 106 2HB PHE 14 2HB PHE 14 -8.161 -1.467 -1.467 107 HD1 PHE 14 HD1 PHE 14 -8.154 -1.667 -1.667 108 HD2 PHE 14 HD2 PHE 14 -7.844 -3.834 -3.834 109 HE1 PHE 14 HE1 PHE 14 -7.510 -3.689 -3.689 110 HE2 PHE 14 HE2 PHE 14 -7.213 -5.861 -5.861 111 HZ PHE 14 HZ PHE 14 -7.031 -5.791 -5.791 112 H GLY 15 H GLY 15 -8.670 1.846 1.846 113 1HA GLY 15 1HA GLY 15 -6.299 1.365 1.365 114 2HA GLY 15 2HA GLY 15 -7.703 2.396 2.396 115 H ASN 16 H ASN 16 -7.886 4.089 4.089 116 HA ASN 16 HA ASN 16 -5.946 6.118 6.118 117 1HB ASN 16 1HB ASN 16 -7.961 6.736 6.736 118 2HB ASN 16 2HB ASN 16 -7.759 5.499 5.499 119 1HD2 ASN 16 1HD2 ASN 16 -6.754 8.236 8.236 120 2HD2 ASN 16 2HD2 ASN 16 -8.179 7.156 7.156 121 H THR 17 H THR 17 -5.709 3.418 3.418 122 HA THR 17 HA THR 17 -3.542 4.630 4.630 123 HB THR 17 HB THR 17 -4.447 1.684 1.684 124 HG1 THR 17 HG1 THR 17 -5.551 2.142 2.142 125 1HG2 THR 17 3HG2 THR 17 -2.824 2.967 2.967 126 2HG2 THR 17 1HG2 THR 17 -3.488 1.314 1.314 127 3HG2 THR 17 2HG2 THR 17 -2.202 1.743 1.743 128 H LEU 18 H LEU 18 -3.702 2.338 2.338 129 HA LEU 18 HA LEU 18 -0.806 1.859 1.859 130 1HB LEU 18 1HB LEU 18 -2.474 1.918 1.918 131 2HB LEU 18 2HB LEU 18 -1.184 0.818 0.818 132 HG LEU 18 HG LEU 18 -4.134 0.704 0.704 133 1HD1 LEU 18 2HD1 LEU 18 -3.128 -0.687 -0.687 134 2HD1 LEU 18 3HD1 LEU 18 -2.021 -1.459 -1.459 135 3HD1 LEU 18 1HD1 LEU 18 -3.778 -1.716 -1.716 136 1HD2 LEU 18 2HD2 LEU 18 -1.993 -0.554 -0.554 137 2HD2 LEU 18 3HD2 LEU 18 -3.214 0.663 0.663 138 3HD2 LEU 18 1HD2 LEU 18 -3.729 -0.970 -0.970 139 H GLU 19 H GLU 19 -2.773 4.491 4.491 140 HA GLU 19 HA GLU 19 -0.392 5.639 5.639 141 1HB GLU 19 1HB GLU 19 -2.972 5.596 5.596 142 2HB GLU 19 2HB GLU 19 -3.160 6.935 6.935 143 1HG GLU 19 1HG GLU 19 -0.911 7.588 7.588 144 2HG GLU 19 2HG GLU 19 -2.193 6.970 6.970 145 H ASP 20 H ASP 20 -0.443 5.326 5.326 146 HA ASP 20 HA ASP 20 0.490 8.189 8.189 147 1HB ASP 20 1HB ASP 20 -1.839 7.447 7.447 148 2HB ASP 20 2HB ASP 20 -0.740 6.692 6.692 149 H LYS 21 H LYS 21 0.545 4.888 4.888 150 HA LYS 21 HA LYS 21 3.200 5.392 5.392 151 1HB LYS 21 1HB LYS 21 2.719 3.458 3.458 152 2HB LYS 21 2HB LYS 21 1.098 3.634 3.634 153 1HG LYS 21 1HG LYS 21 2.614 2.256 2.256 154 2HG LYS 21 2HG LYS 21 3.132 1.539 1.539 155 1HD LYS 21 1HD LYS 21 1.070 0.501 0.501 156 2HD LYS 21 2HD LYS 21 0.152 1.898 1.898 157 1HE LYS 21 1HE LYS 21 -0.163 0.600 0.600 158 2HE LYS 21 2HE LYS 21 1.446 1.185 1.185 159 1HZ LYS 21 1HZ LYS 21 0.942 -1.295 -1.295 160 2HZ LYS 21 2HZ LYS 21 1.277 -1.231 -1.231 161 3HZ LYS 21 3HZ LYS 21 2.437 -0.739 -0.739 162 H ALA 22 H ALA 22 2.007 4.218 4.218 163 HA ALA 22 HA ALA 22 4.596 3.039 3.039 164 1HB ALA 22 2HB ALA 22 2.394 2.496 2.496 165 2HB ALA 22 3HB ALA 22 2.223 4.183 4.183 166 3HB ALA 22 1HB ALA 22 3.526 3.160 3.160 167 H ARG 23 H ARG 23 3.362 6.260 6.260 168 HA ARG 23 HA ARG 23 5.241 7.537 7.537 169 1HB ARG 23 1HB ARG 23 3.437 8.340 8.340 170 2HB ARG 23 2HB ARG 23 4.878 9.338 9.338 171 1HG ARG 23 1HG ARG 23 3.040 10.390 10.390 172 2HG ARG 23 2HG ARG 23 4.369 9.950 9.950 173 1HD ARG 23 1HD ARG 23 2.372 7.736 7.736 174 2HD ARG 23 2HD ARG 23 1.649 9.241 9.241 175 HE ARG 23 HE ARG 23 4.257 8.366 8.366 176 1HH1 ARG 23 2HH2 ARG 23 0.810 8.576 8.576 177 2HH1 ARG 23 1HH2 ARG 23 0.898 8.288 8.288 178 1HH2 ARG 23 1HH1 ARG 23 4.273 8.055 8.055 179 2HH2 ARG 23 2HH1 ARG 23 2.778 8.003 8.003 180 H GLU 24 H GLU 24 5.518 6.740 6.740 181 HA GLU 24 HA GLU 24 8.256 7.968 7.968 182 1HB GLU 24 1HB GLU 24 6.928 6.146 6.146 183 2HB GLU 24 2HB GLU 24 8.212 7.298 7.298 184 1HG GLU 24 1HG GLU 24 6.726 9.192 9.192 185 2HG GLU 24 2HG GLU 24 5.522 8.388 8.388 186 H LEU 25 H LEU 25 6.844 4.746 4.746 187 HA LEU 25 HA LEU 25 9.397 3.289 3.289 188 1HB LEU 25 1HB LEU 25 7.773 1.676 1.676 189 2HB LEU 25 2HB LEU 25 6.550 2.690 2.690 190 HG LEU 25 HG LEU 25 8.595 1.148 1.148 191 1HD1 LEU 25 2HD1 LEU 25 7.406 -0.482 -0.482 192 2HD1 LEU 25 3HD1 LEU 25 5.827 0.144 0.144 193 3HD1 LEU 25 1HD1 LEU 25 6.901 -0.687 -0.687 194 1HD2 LEU 25 2HD2 LEU 25 5.788 2.289 2.289 195 2HD2 LEU 25 3HD2 LEU 25 7.353 2.881 2.881 196 3HD2 LEU 25 1HD2 LEU 25 6.771 1.288 1.288 197 H ILE 26 H ILE 26 7.867 5.100 5.100 198 HA ILE 26 HA ILE 26 9.504 3.956 3.956 199 HB ILE 26 HB ILE 26 7.731 6.381 6.381 200 1HG1 ILE 26 1HG1 ILE 26 7.856 4.745 4.745 201 2HG1 ILE 26 2HG1 ILE 26 7.169 4.007 4.007 202 1HG2 ILE 26 2HG2 ILE 26 9.750 7.521 7.521 203 2HG2 ILE 26 3HG2 ILE 26 9.768 6.319 6.319 204 3HG2 ILE 26 1HG2 ILE 26 8.430 7.475 7.475 205 1HD1 ILE 26 2HD1 ILE 26 5.471 5.856 5.856 206 2HD1 ILE 26 3HD1 ILE 26 6.065 6.584 6.584 207 3HD1 ILE 26 1HD1 ILE 26 5.338 4.969 4.969 208 H SER 27 H SER 27 9.963 6.572 6.572 209 HA SER 27 HA SER 27 12.584 7.368 7.368 210 1HB SER 27 1HB SER 27 12.048 9.027 9.027 211 2HB SER 27 2HB SER 27 11.000 7.999 7.999 212 HG SER 27 HG SER 27 12.844 7.189 7.189 213 H ARG 28 H ARG 28 11.492 4.903 4.903 214 HA ARG 28 HA ARG 28 14.218 3.915 3.915 215 1HB ARG 28 1HB ARG 28 12.327 3.313 3.313 216 2HB ARG 28 2HB ARG 28 11.388 2.679 2.679 217 1HG ARG 28 1HG ARG 28 13.387 0.865 0.865 218 2HG ARG 28 2HG ARG 28 13.827 1.414 1.414 219 1HD ARG 28 1HD ARG 28 11.512 0.856 0.856 220 2HD ARG 28 2HD ARG 28 11.036 0.359 0.359 221 HE ARG 28 HE ARG 28 13.144 -1.282 -1.282 222 1HH1 ARG 28 2HH2 ARG 28 10.893 -0.498 -0.498 223 2HH1 ARG 28 1HH2 ARG 28 11.180 -2.105 -2.105 224 1HH2 ARG 28 1HH1 ARG 28 13.403 -2.993 -2.993 225 2HH2 ARG 28 2HH1 ARG 28 12.540 -3.467 -3.467 226 H ILE 29 H ILE 29 12.060 3.578 3.578 227 HA ILE 29 HA ILE 29 13.224 0.959 0.959 228 HB ILE 29 HB ILE 29 11.126 2.862 2.862 229 1HG1 ILE 29 1HG1 ILE 29 9.783 1.244 1.244 230 2HG1 ILE 29 2HG1 ILE 29 10.202 0.289 0.289 231 1HG2 ILE 29 2HG2 ILE 29 12.509 2.499 2.499 232 2HG2 ILE 29 3HG2 ILE 29 12.423 0.736 0.736 233 3HG2 ILE 29 1HG2 ILE 29 10.971 1.689 1.689 234 1HD1 ILE 29 2HD1 ILE 29 12.077 -0.858 -0.858 235 2HD1 ILE 29 3HD1 ILE 29 11.617 0.010 0.010 236 3HD1 ILE 29 1HD1 ILE 29 10.481 -1.124 -1.124 237 H LYS 30 H LYS 30 13.636 4.330 4.330 238 HA LYS 30 HA LYS 30 15.616 3.843 3.843 239 1HB LYS 30 1HB LYS 30 14.919 6.223 6.223 240 2HB LYS 30 2HB LYS 30 16.373 6.307 6.307 241 1HG LYS 30 1HG LYS 30 15.095 6.929 6.929 242 2HG LYS 30 2HG LYS 30 14.271 5.372 5.372 243 1HD LYS 30 1HD LYS 30 12.394 6.297 6.297 244 2HD LYS 30 2HD LYS 30 13.350 7.511 7.511 245 1HE LYS 30 1HE LYS 30 13.602 7.904 7.904 246 2HE LYS 30 2HE LYS 30 11.900 7.946 7.946 247 1HZ LYS 30 3HZ LYS 30 13.769 9.370 9.370 248 2HZ LYS 30 1HZ LYS 30 13.493 10.031 10.031 249 3HZ LYS 30 2HZ LYS 30 12.205 9.770 9.770 250 H GLN 31 H GLN 31 15.818 4.211 4.211 251 HA GLN 31 HA GLN 31 18.841 4.115 4.115 252 1HB GLN 31 1HB GLN 31 17.018 5.523 5.523 253 2HB GLN 31 2HB GLN 31 17.473 4.206 4.206 254 1HG GLN 31 1HG GLN 31 20.005 4.927 4.927 255 2HG GLN 31 2HG GLN 31 19.303 6.397 6.397 256 1HE2 GLN 31 2HE2 GLN 31 19.159 5.884 5.884 257 2HE2 GLN 31 1HE2 GLN 31 18.897 4.425 4.425 258 H SER 32 H SER 32 17.442 1.799 1.799 259 HA SER 32 HA SER 32 18.959 -0.195 -0.195 260 1HB SER 32 1HB SER 32 17.345 -0.183 -0.183 261 2HB SER 32 2HB SER 32 16.021 0.259 0.259 262 HG SER 32 HG SER 32 15.623 -1.817 -1.817 263 H GLU 33 H GLU 33 15.951 -0.819 -0.819 264 HA GLU 33 HA GLU 33 15.377 -1.798 -1.798 265 1HB GLU 33 1HB GLU 33 17.135 0.314 0.314 266 2HB GLU 33 2HB GLU 33 18.175 -0.976 -0.976 267 1HG GLU 33 1HG GLU 33 15.378 -0.965 -0.965 268 2HG GLU 33 2HG GLU 33 16.233 0.534 0.534 269 H LEU 34 H LEU 34 17.101 -3.236 -3.236 270 HA LEU 34 HA LEU 34 18.086 -5.439 -5.439 271 1HB LEU 34 1HB LEU 34 18.844 -6.587 -6.587 272 2HB LEU 34 2HB LEU 34 19.520 -4.977 -4.977 273 HG LEU 34 HG LEU 34 16.999 -5.277 -5.277 274 1HD1 LEU 34 2HD1 LEU 34 18.399 -7.249 -7.249 275 2HD1 LEU 34 3HD1 LEU 34 19.797 -6.184 -6.184 276 3HD1 LEU 34 1HD1 LEU 34 18.334 -6.039 -6.039 277 1HD2 LEU 34 2HD2 LEU 34 19.578 -3.584 -3.584 278 2HD2 LEU 34 3HD2 LEU 34 17.979 -3.005 -3.005 279 3HD2 LEU 34 1HD2 LEU 34 18.196 -3.568 -3.568 280 H SER 35 H SER 35 15.584 -4.777 -4.777 281 HA SER 35 HA SER 35 13.381 -5.658 -5.658 282 1HB SER 35 1HB SER 35 13.936 -5.675 -5.675 283 2HB SER 35 2HB SER 35 13.801 -7.413 -7.413 284 HG SER 35 HG SER 35 11.864 -5.591 -5.591 285 H ALA 36 H ALA 36 15.975 -7.220 -7.220 286 HA ALA 36 HA ALA 36 16.086 -8.900 -8.900 287 1HB ALA 36 2HB ALA 36 13.688 -8.415 -8.415 288 2HB ALA 36 3HB ALA 36 13.121 -9.471 -9.471 289 3HB ALA 36 1HB ALA 36 13.981 -10.163 -10.163 290 H LYS 37 H LYS 37 14.933 -9.573 -9.573 291 HA LYS 37 HA LYS 37 16.109 -12.393 -12.393 292 1HB LYS 37 1HB LYS 37 13.876 -12.801 -12.801 293 2HB LYS 37 2HB LYS 37 13.710 -11.260 -11.260 294 1HG LYS 37 1HG LYS 37 14.989 -12.101 -12.101 295 2HG LYS 37 2HG LYS 37 15.481 -13.552 -13.552 296 1HD LYS 37 1HD LYS 37 12.583 -12.806 -12.806 297 2HD LYS 37 2HD LYS 37 13.639 -13.867 -13.867 298 1HE LYS 37 1HE LYS 37 13.083 -15.666 -15.666 299 2HE LYS 37 2HE LYS 37 13.780 -14.855 -14.855 300 1HZ LYS 37 2HZ LYS 37 11.588 -13.530 -13.530 301 2HZ LYS 37 3HZ LYS 37 10.993 -14.767 -14.767 302 3HZ LYS 37 1HZ LYS 37 11.582 -15.114 -15.114 303 H MET 38 H MET 38 16.046 -9.394 -9.394 304 HA MET 38 HA MET 38 18.168 -10.363 -10.363 305 1HB MET 38 1HB MET 38 16.391 -8.120 -8.120 306 2HB MET 38 2HB MET 38 17.970 -7.404 -7.404 307 1HG MET 38 1HG MET 38 17.992 -9.296 -9.296 308 2HG MET 38 2HG MET 38 16.869 -7.933 -7.933 309 1HE MET 38 2HE MET 38 18.262 -7.889 -7.889 310 2HE MET 38 1HE MET 38 18.856 -6.201 -6.201 311 3HE MET 38 3HE MET 38 20.019 -7.563 -7.563 Start of MODEL 20 1 1H THR 1 3H THR 1 -15.229 -12.424 -12.424 2 2H THR 1 1H THR 1 -14.866 -11.330 -11.330 3 3H THR 1 2H THR 1 -13.630 -11.996 -11.996 4 HA THR 1 HA THR 1 -14.206 -10.844 -10.844 5 HB THR 1 HB THR 1 -14.818 -8.655 -8.655 6 HG1 THR 1 HG1 THR 1 -12.715 -8.776 -8.776 7 1HG2 THR 1 3HG2 THR 1 -12.517 -8.913 -8.913 8 2HG2 THR 1 1HG2 THR 1 -12.839 -7.487 -7.487 9 3HG2 THR 1 2HG2 THR 1 -13.998 -7.952 -7.952 10 HA PRO 2 HA PRO 2 -18.392 -10.076 -10.076 11 1HB PRO 2 1HB PRO 2 -17.243 -7.432 -7.432 12 2HB PRO 2 2HB PRO 2 -18.293 -8.704 -8.704 13 1HG PRO 2 1HG PRO 2 -15.507 -8.514 -8.514 14 2HG PRO 2 2HG PRO 2 -16.504 -10.116 -10.116 15 1HD PRO 2 1HD PRO 2 -14.871 -8.432 -8.432 16 2HD PRO 2 2HD PRO 2 -14.708 -10.229 -10.229 17 H ASP 3 H ASP 3 -19.631 -7.718 -7.718 18 HA ASP 3 HA ASP 3 -20.772 -6.909 -6.909 19 1HB ASP 3 1HB ASP 3 -21.284 -6.106 -6.106 20 2HB ASP 3 2HB ASP 3 -20.131 -4.830 -4.830 21 H VAL 4 H VAL 4 -17.769 -5.778 -5.778 22 HA VAL 4 HA VAL 4 -16.054 -4.431 -4.431 23 HB VAL 4 HB VAL 4 -16.282 -6.699 -6.699 24 1HG1 VAL 4 1HG2 VAL 4 -17.027 -4.718 -4.718 25 2HG1 VAL 4 2HG2 VAL 4 -16.516 -6.410 -6.410 26 3HG1 VAL 4 3HG2 VAL 4 -18.031 -6.064 -6.064 27 1HG2 VAL 4 2HG1 VAL 4 -14.121 -5.380 -5.380 28 2HG2 VAL 4 3HG1 VAL 4 -14.347 -6.128 -6.128 29 3HG2 VAL 4 1HG1 VAL 4 -14.641 -4.382 -4.382 30 H SER 5 H SER 5 -18.595 -3.217 -3.217 31 HA SER 5 HA SER 5 -18.290 -1.142 -1.142 32 1HB SER 5 1HB SER 5 -20.631 -3.005 -3.005 33 2HB SER 5 2HB SER 5 -21.104 -1.317 -1.317 34 HG SER 5 HG SER 5 -19.485 -1.354 -1.354 35 H SER 6 H SER 6 -20.111 -2.128 -2.128 36 HA SER 6 HA SER 6 -19.474 0.670 0.670 37 1HB SER 6 1HB SER 6 -21.878 -0.767 -0.767 38 2HB SER 6 2HB SER 6 -21.637 0.956 0.956 39 HG SER 6 HG SER 6 -21.817 0.396 0.396 40 H ALA 7 H ALA 7 -17.892 -1.666 -1.666 41 HA ALA 7 HA ALA 7 -18.316 -2.633 -2.633 42 1HB ALA 7 2HB ALA 7 -17.886 -4.346 -4.346 43 2HB ALA 7 3HB ALA 7 -16.339 -3.562 -3.562 44 3HB ALA 7 1HB ALA 7 -16.554 -4.368 -4.368 45 H LEU 8 H LEU 8 -16.212 -0.708 -0.708 46 HA LEU 8 HA LEU 8 -14.085 -0.205 -0.205 47 1HB LEU 8 1HB LEU 8 -15.019 2.233 2.233 48 2HB LEU 8 2HB LEU 8 -13.526 1.217 1.217 49 HG LEU 8 HG LEU 8 -15.007 -0.180 -0.180 50 1HD1 LEU 8 2HD1 LEU 8 -17.230 0.701 0.701 51 2HD1 LEU 8 3HD1 LEU 8 -16.816 2.328 2.328 52 3HD1 LEU 8 1HD1 LEU 8 -17.008 0.976 0.976 53 1HD2 LEU 8 2HD2 LEU 8 -14.343 2.750 2.750 54 2HD2 LEU 8 3HD2 LEU 8 -13.279 1.332 1.332 55 3HD2 LEU 8 1HD2 LEU 8 -14.735 1.451 1.451 56 H ASP 9 H ASP 9 -17.322 1.094 1.094 57 HA ASP 9 HA ASP 9 -17.000 3.241 3.241 58 1HB ASP 9 1HB ASP 9 -19.121 3.003 3.003 59 2HB ASP 9 2HB ASP 9 -19.435 1.430 1.430 60 H LYS 10 H LYS 10 -17.563 -0.146 -0.146 61 HA LYS 10 HA LYS 10 -18.127 0.228 0.228 62 1HB LYS 10 1HB LYS 10 -18.362 -1.907 -1.907 63 2HB LYS 10 2HB LYS 10 -16.806 -2.340 -2.340 64 1HG LYS 10 1HG LYS 10 -18.054 -1.916 -1.916 65 2HG LYS 10 2HG LYS 10 -19.527 -2.064 -2.064 66 1HD LYS 10 1HD LYS 10 -19.091 -4.377 -4.377 67 2HD LYS 10 2HD LYS 10 -17.346 -4.211 -4.211 68 1HE LYS 10 1HE LYS 10 -17.768 -3.715 -3.715 69 2HE LYS 10 2HE LYS 10 -19.508 -3.933 -3.933 70 1HZ LYS 10 3HZ LYS 10 -17.806 -6.082 -6.082 71 2HZ LYS 10 1HZ LYS 10 -17.893 -5.910 -5.910 72 3HZ LYS 10 2HZ LYS 10 -19.297 -6.149 -6.149 73 H LEU 11 H LEU 11 -15.201 -0.219 -0.219 74 HA LEU 11 HA LEU 11 -13.634 -0.130 -0.130 75 1HB LEU 11 1HB LEU 11 -12.180 -0.531 -0.531 76 2HB LEU 11 2HB LEU 11 -11.880 -1.270 -1.270 77 HG LEU 11 HG LEU 11 -14.282 -2.081 -2.081 78 1HD1 LEU 11 2HD1 LEU 11 -12.185 -2.356 -2.356 79 2HD1 LEU 11 3HD1 LEU 11 -11.438 -3.308 -3.308 80 3HD1 LEU 11 1HD1 LEU 11 -12.864 -3.933 -3.933 81 1HD2 LEU 11 2HD2 LEU 11 -12.772 -3.550 -3.550 82 2HD2 LEU 11 3HD2 LEU 11 -14.426 -2.894 -2.894 83 3HD2 LEU 11 1HD2 LEU 11 -14.074 -4.265 -4.265 84 H LYS 12 H LYS 12 -14.941 2.130 2.130 85 HA LYS 12 HA LYS 12 -13.076 4.046 4.046 86 1HB LYS 12 1HB LYS 12 -15.585 4.412 4.412 87 2HB LYS 12 2HB LYS 12 -15.140 4.606 4.606 88 1HG LYS 12 1HG LYS 12 -15.320 6.859 6.859 89 2HG LYS 12 2HG LYS 12 -13.608 6.563 6.563 90 1HD LYS 12 1HD LYS 12 -13.123 6.708 6.708 91 2HD LYS 12 2HD LYS 12 -14.552 5.771 5.771 92 1HE LYS 12 1HE LYS 12 -15.519 8.265 8.265 93 2HE LYS 12 2HE LYS 12 -14.264 8.702 8.702 94 1HZ LYS 12 1HZ LYS 12 -15.419 7.074 7.074 95 2HZ LYS 12 2HZ LYS 12 -16.715 7.116 7.116 96 3HZ LYS 12 3HZ LYS 12 -16.202 8.528 8.528 97 H GLU 13 H GLU 13 -13.918 4.257 4.257 98 HA GLU 13 HA GLU 13 -11.637 5.342 5.342 99 1HB GLU 13 1HB GLU 13 -12.004 3.360 3.360 100 2HB GLU 13 2HB GLU 13 -13.078 4.727 4.727 101 1HG GLU 13 1HG GLU 13 -13.921 2.480 2.480 102 2HG GLU 13 2HG GLU 13 -13.780 1.936 1.936 103 H PHE 14 H PHE 14 -11.796 1.794 1.794 104 HA PHE 14 HA PHE 14 -9.209 1.276 1.276 105 1HB PHE 14 1HB PHE 14 -10.444 -0.703 -0.703 106 2HB PHE 14 2HB PHE 14 -11.081 -0.216 -0.216 107 HD1 PHE 14 HD2 PHE 14 -7.851 -1.372 -1.372 108 HD2 PHE 14 HD1 PHE 14 -10.225 -1.150 -1.150 109 HE1 PHE 14 HE2 PHE 14 -6.334 -2.962 -2.962 110 HE2 PHE 14 HE1 PHE 14 -8.694 -2.718 -2.718 111 HZ PHE 14 HZ PHE 14 -6.743 -3.628 -3.628 112 H GLY 15 H GLY 15 -9.826 2.607 2.607 113 1HA GLY 15 1HA GLY 15 -7.118 1.632 1.632 114 2HA GLY 15 2HA GLY 15 -8.335 2.506 2.506 115 H ASN 16 H ASN 16 -8.900 4.591 4.591 116 HA ASN 16 HA ASN 16 -6.811 6.518 6.518 117 1HB ASN 16 1HB ASN 16 -8.948 7.393 7.393 118 2HB ASN 16 2HB ASN 16 -9.105 6.290 6.290 119 1HD2 ASN 16 1HD2 ASN 16 -8.148 8.966 8.966 120 2HD2 ASN 16 2HD2 ASN 16 -9.354 7.621 7.621 121 H THR 17 H THR 17 -7.299 4.316 4.316 122 HA THR 17 HA THR 17 -5.082 5.474 5.474 123 HB THR 17 HB THR 17 -6.231 2.615 2.615 124 HG1 THR 17 HG1 THR 17 -7.715 3.536 3.536 125 1HG2 THR 17 3HG2 THR 17 -5.115 4.476 4.476 126 2HG2 THR 17 1HG2 THR 17 -5.837 2.869 2.869 127 3HG2 THR 17 2HG2 THR 17 -4.311 3.010 3.010 128 H LEU 18 H LEU 18 -5.404 2.838 2.838 129 HA LEU 18 HA LEU 18 -2.604 1.936 1.936 130 1HB LEU 18 1HB LEU 18 -3.340 0.266 0.266 131 2HB LEU 18 2HB LEU 18 -4.904 1.056 1.056 132 HG LEU 18 HG LEU 18 -3.692 2.452 2.452 133 1HD1 LEU 18 2HD1 LEU 18 -1.513 1.225 1.225 134 2HD1 LEU 18 3HD1 LEU 18 -2.330 -0.330 -0.330 135 3HD1 LEU 18 1HD1 LEU 18 -2.248 0.899 0.899 136 1HD2 LEU 18 2HD2 LEU 18 -5.012 -0.342 -0.342 137 2HD2 LEU 18 3HD2 LEU 18 -5.838 1.235 1.235 138 3HD2 LEU 18 1HD2 LEU 18 -4.761 0.803 0.803 139 H GLU 19 H GLU 19 -3.994 4.643 4.643 140 HA GLU 19 HA GLU 19 -1.383 5.057 5.057 141 1HB GLU 19 1HB GLU 19 -3.953 5.389 5.389 142 2HB GLU 19 2HB GLU 19 -3.791 6.951 6.951 143 1HG GLU 19 1HG GLU 19 -2.296 7.777 7.777 144 2HG GLU 19 2HG GLU 19 -1.569 6.222 6.222 145 H ASP 20 H ASP 20 -1.693 5.249 5.249 146 HA ASP 20 HA ASP 20 -0.211 7.898 7.898 147 1HB ASP 20 1HB ASP 20 -2.645 8.078 8.078 148 2HB ASP 20 2HB ASP 20 -2.068 7.024 7.024 149 H LYS 21 H LYS 21 -0.934 4.890 4.890 150 HA LYS 21 HA LYS 21 1.705 4.893 4.893 151 1HB LYS 21 1HB LYS 21 0.051 2.366 2.366 152 2HB LYS 21 2HB LYS 21 1.084 2.686 2.686 153 1HG LYS 21 1HG LYS 21 -0.642 3.709 3.709 154 2HG LYS 21 2HG LYS 21 -1.114 4.702 4.702 155 1HD LYS 21 1HD LYS 21 -2.599 2.654 2.654 156 2HD LYS 21 2HD LYS 21 -2.863 3.279 3.279 157 1HE LYS 21 1HE LYS 21 -1.235 1.570 1.570 158 2HE LYS 21 2HE LYS 21 -0.949 0.921 0.921 159 1HZ LYS 21 1HZ LYS 21 -3.719 1.052 1.052 160 2HZ LYS 21 2HZ LYS 21 -3.074 0.355 0.355 161 3HZ LYS 21 3HZ LYS 21 -2.743 -0.313 -0.313 162 H ALA 22 H ALA 22 0.439 3.809 3.809 163 HA ALA 22 HA ALA 22 3.127 2.595 2.595 164 1HB ALA 22 2HB ALA 22 0.991 1.533 1.533 165 2HB ALA 22 3HB ALA 22 0.551 3.031 3.031 166 3HB ALA 22 1HB ALA 22 1.967 2.087 2.087 167 H ARG 23 H ARG 23 2.648 5.533 5.533 168 HA ARG 23 HA ARG 23 4.171 6.469 6.469 169 1HB ARG 23 1HB ARG 23 2.052 7.694 7.694 170 2HB ARG 23 2HB ARG 23 3.496 8.659 8.659 171 1HG ARG 23 1HG ARG 23 2.581 9.727 9.727 172 2HG ARG 23 2HG ARG 23 3.640 8.568 8.568 173 1HD ARG 23 1HD ARG 23 1.480 6.957 6.957 174 2HD ARG 23 2HD ARG 23 0.596 8.483 8.483 175 HE ARG 23 HE ARG 23 2.606 8.381 8.381 176 1HH1 ARG 23 2HH2 ARG 23 -0.742 8.432 8.432 177 2HH1 ARG 23 1HH2 ARG 23 -1.286 8.868 8.868 178 1HH2 ARG 23 1HH1 ARG 23 1.942 8.849 8.849 179 2HH2 ARG 23 2HH1 ARG 23 0.168 9.091 9.091 180 H GLU 24 H GLU 24 4.165 6.142 6.142 181 HA GLU 24 HA GLU 24 6.965 7.294 7.294 182 1HB GLU 24 1HB GLU 24 5.323 5.975 5.975 183 2HB GLU 24 2HB GLU 24 6.676 7.063 7.063 184 1HG GLU 24 1HG GLU 24 5.366 9.021 9.021 185 2HG GLU 24 2HG GLU 24 4.178 8.146 8.146 186 H LEU 25 H LEU 25 5.259 4.230 4.230 187 HA LEU 25 HA LEU 25 7.641 2.665 2.665 188 1HB LEU 25 1HB LEU 25 5.601 1.487 1.487 189 2HB LEU 25 2HB LEU 25 4.907 2.037 2.037 190 HG LEU 25 HG LEU 25 7.270 0.181 0.181 191 1HD1 LEU 25 2HD1 LEU 25 6.091 -0.808 -0.808 192 2HD1 LEU 25 3HD1 LEU 25 4.553 -0.831 -0.831 193 3HD1 LEU 25 1HD1 LEU 25 5.914 -1.848 -1.848 194 1HD2 LEU 25 2HD2 LEU 25 4.480 0.298 0.298 195 2HD2 LEU 25 3HD2 LEU 25 6.023 0.863 0.863 196 3HD2 LEU 25 1HD2 LEU 25 5.770 -0.865 -0.865 197 H ILE 26 H ILE 26 6.471 3.927 3.927 198 HA ILE 26 HA ILE 26 8.223 2.243 2.243 199 HB ILE 26 HB ILE 26 6.462 4.629 4.629 200 1HG1 ILE 26 1HG1 ILE 26 7.045 2.579 2.579 201 2HG1 ILE 26 2HG1 ILE 26 6.159 2.067 2.067 202 1HG2 ILE 26 2HG2 ILE 26 8.580 5.694 5.694 203 2HG2 ILE 26 3HG2 ILE 26 8.840 4.290 4.290 204 3HG2 ILE 26 1HG2 ILE 26 7.454 5.378 5.378 205 1HD1 ILE 26 2HD1 ILE 26 4.392 3.832 3.832 206 2HD1 ILE 26 3HD1 ILE 26 5.203 4.312 4.312 207 3HD1 ILE 26 1HD1 ILE 26 4.533 2.681 2.681 208 H SER 27 H SER 27 8.685 5.225 5.225 209 HA SER 27 HA SER 27 11.376 5.732 5.732 210 1HB SER 27 1HB SER 27 10.578 7.616 7.616 211 2HB SER 27 2HB SER 27 9.831 6.696 6.696 212 HG SER 27 HG SER 27 12.237 7.853 7.853 213 H ARG 28 H ARG 28 10.126 3.746 3.746 214 HA ARG 28 HA ARG 28 12.809 2.802 2.802 215 1HB ARG 28 1HB ARG 28 11.004 2.520 2.520 216 2HB ARG 28 2HB ARG 28 9.905 1.870 1.870 217 1HG ARG 28 1HG ARG 28 11.890 -0.128 -0.128 218 2HG ARG 28 2HG ARG 28 12.046 0.467 0.467 219 1HD ARG 28 1HD ARG 28 9.917 -0.313 -0.313 220 2HD ARG 28 2HD ARG 28 9.212 -0.034 -0.034 221 HE ARG 28 HE ARG 28 11.035 -2.019 -2.019 222 1HH1 ARG 28 2HH2 ARG 28 8.711 -1.844 -1.844 223 2HH1 ARG 28 1HH2 ARG 28 8.552 -3.681 -3.681 224 1HH2 ARG 28 1HH1 ARG 28 10.812 -3.995 -3.995 225 2HH2 ARG 28 2HH1 ARG 28 9.687 -4.855 -4.855 226 H ILE 29 H ILE 29 10.699 2.058 2.058 227 HA ILE 29 HA ILE 29 11.777 -0.721 -0.721 228 HB ILE 29 HB ILE 29 9.728 0.989 0.989 229 1HG1 ILE 29 1HG1 ILE 29 8.342 -0.404 -0.404 230 2HG1 ILE 29 2HG1 ILE 29 8.745 -1.622 -1.622 231 1HG2 ILE 29 2HG2 ILE 29 11.106 0.201 0.201 232 2HG2 ILE 29 3HG2 ILE 29 10.977 -1.483 -1.483 233 3HG2 ILE 29 1HG2 ILE 29 9.549 -0.586 -0.586 234 1HD1 ILE 29 2HD1 ILE 29 10.588 -2.549 -2.549 235 2HD1 ILE 29 3HD1 ILE 29 10.141 -1.401 -1.401 236 3HD1 ILE 29 1HD1 ILE 29 8.982 -2.633 -2.633 237 H LYS 30 H LYS 30 12.360 2.440 2.440 238 HA LYS 30 HA LYS 30 14.069 1.579 1.579 239 1HB LYS 30 1HB LYS 30 13.560 4.137 4.137 240 2HB LYS 30 2HB LYS 30 15.151 4.052 4.052 241 1HG LYS 30 1HG LYS 30 13.292 5.127 5.127 242 2HG LYS 30 2HG LYS 30 14.227 3.858 3.858 243 1HD LYS 30 1HD LYS 30 12.267 2.255 2.255 244 2HD LYS 30 2HD LYS 30 11.381 3.701 3.701 245 1HE LYS 30 1HE LYS 30 11.550 4.735 4.735 246 2HE LYS 30 2HE LYS 30 12.621 3.448 3.448 247 1HZ LYS 30 2HZ LYS 30 10.610 1.969 1.969 248 2HZ LYS 30 3HZ LYS 30 9.750 3.365 3.365 249 3HZ LYS 30 1HZ LYS 30 10.669 2.604 2.604 250 H GLN 31 H GLN 31 14.676 2.191 2.191 251 HA GLN 31 HA GLN 31 17.614 1.590 1.590 252 1HB GLN 31 1HB GLN 31 16.177 3.286 3.286 253 2HB GLN 31 2HB GLN 31 16.492 1.920 1.920 254 1HG GLN 31 1HG GLN 31 19.066 2.247 2.247 255 2HG GLN 31 2HG GLN 31 18.514 3.848 3.848 256 1HE2 GLN 31 2HE2 GLN 31 18.027 3.848 3.848 257 2HE2 GLN 31 1HE2 GLN 31 16.773 3.295 3.295 258 H SER 32 H SER 32 16.068 -0.511 -0.511 259 HA SER 32 HA SER 32 17.546 -2.535 -2.535 260 1HB SER 32 1HB SER 32 14.750 -1.956 -1.956 261 2HB SER 32 2HB SER 32 15.046 -3.662 -3.662 262 HG SER 32 HG SER 32 15.649 -2.423 -2.423 263 H GLU 33 H GLU 33 17.722 -2.094 -2.094 264 HA GLU 33 HA GLU 33 15.930 -4.189 -4.189 265 1HB GLU 33 1HB GLU 33 16.347 -1.311 -1.311 266 2HB GLU 33 2HB GLU 33 16.874 -2.236 -2.236 267 1HG GLU 33 1HG GLU 33 14.232 -3.260 -3.260 268 2HG GLU 33 2HG GLU 33 14.139 -1.518 -1.518 269 H LEU 34 H LEU 34 18.541 -4.433 -4.433 270 HA LEU 34 HA LEU 34 20.699 -4.244 -4.244 271 1HB LEU 34 1HB LEU 34 21.844 -6.047 -6.047 272 2HB LEU 34 2HB LEU 34 21.240 -4.692 -4.692 273 HG LEU 34 HG LEU 34 19.525 -7.206 -7.206 274 1HD1 LEU 34 2HD1 LEU 34 21.828 -8.014 -8.014 275 2HD1 LEU 34 3HD1 LEU 34 21.902 -6.866 -6.866 276 3HD1 LEU 34 1HD1 LEU 34 20.717 -8.195 -8.195 277 1HD2 LEU 34 2HD2 LEU 34 19.890 -5.105 -5.105 278 2HD2 LEU 34 3HD2 LEU 34 18.483 -5.282 -5.282 279 3HD2 LEU 34 1HD2 LEU 34 18.840 -6.545 -6.545 280 H SER 35 H SER 35 18.313 -6.755 -6.755 281 HA SER 35 HA SER 35 18.072 -8.836 -8.836 282 1HB SER 35 1HB SER 35 18.714 -6.862 -6.862 283 2HB SER 35 2HB SER 35 18.515 -8.559 -8.559 284 HG SER 35 HG SER 35 16.438 -8.333 -8.333 285 H ALA 36 H ALA 36 20.538 -8.362 -8.362 286 HA ALA 36 HA ALA 36 22.544 -9.634 -9.634 287 1HB ALA 36 2HB ALA 36 20.991 -11.579 -11.579 288 2HB ALA 36 3HB ALA 36 21.228 -11.387 -11.387 289 3HB ALA 36 1HB ALA 36 22.584 -11.892 -11.892 290 H LYS 37 H LYS 37 22.871 -7.402 -7.402 291 HA LYS 37 HA LYS 37 24.399 -6.273 -6.273 292 1HB LYS 37 1HB LYS 37 25.759 -8.440 -8.440 293 2HB LYS 37 2HB LYS 37 26.044 -8.762 -8.762 294 1HG LYS 37 1HG LYS 37 27.313 -6.744 -6.744 295 2HG LYS 37 2HG LYS 37 26.503 -5.902 -5.902 296 1HD LYS 37 1HD LYS 37 27.794 -7.804 -7.804 297 2HD LYS 37 2HD LYS 37 28.826 -7.881 -7.881 298 1HE LYS 37 1HE LYS 37 28.891 -5.226 -5.226 299 2HE LYS 37 2HE LYS 37 28.261 -5.393 -5.393 300 1HZ LYS 37 3HZ LYS 37 30.485 -7.152 -7.152 301 2HZ LYS 37 1HZ LYS 37 30.841 -5.510 -5.510 302 3HZ LYS 37 2HZ LYS 37 30.168 -6.284 -6.284 303 H MET 38 H MET 38 22.098 -7.387 -7.387 304 HA MET 38 HA MET 38 22.979 -8.442 -8.442 305 1HB MET 38 1HB MET 38 20.938 -9.471 -9.471 306 2HB MET 38 2HB MET 38 20.396 -8.136 -8.136 307 1HG MET 38 1HG MET 38 19.133 -7.205 -7.205 308 2HG MET 38 2HG MET 38 20.450 -7.354 -7.354 309 1HE MET 38 3HE MET 38 17.993 -7.597 -7.597 310 2HE MET 38 2HE MET 38 19.334 -8.354 -8.354 311 3HE MET 38 1HE MET 38 17.769 -9.209 -9.209 Start of MODEL 21 1 1H THR 1 1H THR 1 -26.319 -7.095 -7.095 2 2H THR 1 2H THR 1 -25.117 -8.180 -8.180 3 3H THR 1 3H THR 1 -26.386 -8.693 -8.693 4 HA THR 1 HA THR 1 -24.770 -8.478 -8.478 5 HB THR 1 HB THR 1 -23.445 -7.091 -7.091 6 HG1 THR 1 HG1 THR 1 -21.757 -7.019 -7.019 7 1HG2 THR 1 3HG2 THR 1 -23.702 -5.080 -5.080 8 2HG2 THR 1 1HG2 THR 1 -22.541 -4.957 -4.957 9 3HG2 THR 1 2HG2 THR 1 -24.267 -4.791 -4.791 10 HA PRO 2 HA PRO 2 -26.898 -6.035 -6.035 11 1HB PRO 2 1HB PRO 2 -24.170 -4.968 -4.968 12 2HB PRO 2 2HB PRO 2 -25.540 -5.716 -5.716 13 1HG PRO 2 1HG PRO 2 -23.286 -7.189 -7.189 14 2HG PRO 2 2HG PRO 2 -25.056 -7.841 -7.841 15 1HD PRO 2 1HD PRO 2 -23.225 -6.676 -6.676 16 2HD PRO 2 2HD PRO 2 -24.160 -8.267 -8.267 17 H ASP 3 H ASP 3 -26.611 -3.834 -3.834 18 HA ASP 3 HA ASP 3 -27.139 -1.744 -1.744 19 1HB ASP 3 1HB ASP 3 -27.719 -1.881 -1.881 20 2HB ASP 3 2HB ASP 3 -26.154 -1.128 -1.128 21 H VAL 4 H VAL 4 -25.789 -1.316 -1.316 22 HA VAL 4 HA VAL 4 -22.865 -0.929 -0.929 23 HB VAL 4 HB VAL 4 -23.805 -0.500 -0.500 24 1HG1 VAL 4 1HG2 VAL 4 -21.571 -2.368 -2.368 25 2HG1 VAL 4 2HG2 VAL 4 -21.934 -2.058 -2.058 26 3HG1 VAL 4 3HG2 VAL 4 -21.339 -0.752 -0.752 27 1HG2 VAL 4 2HG1 VAL 4 -25.378 -2.373 -2.373 28 2HG2 VAL 4 3HG1 VAL 4 -24.205 -2.891 -2.891 29 3HG2 VAL 4 1HG1 VAL 4 -23.990 -3.374 -3.374 30 H SER 5 H SER 5 -24.966 0.967 0.967 31 HA SER 5 HA SER 5 -23.934 3.388 3.388 32 1HB SER 5 1HB SER 5 -26.578 2.708 2.708 33 2HB SER 5 2HB SER 5 -26.060 4.081 4.081 34 HG SER 5 HG SER 5 -27.077 4.225 4.225 35 H SER 6 H SER 6 -24.260 1.945 1.945 36 HA SER 6 HA SER 6 -21.975 3.808 3.808 37 1HB SER 6 1HB SER 6 -23.006 3.357 3.357 38 2HB SER 6 2HB SER 6 -23.566 4.705 4.705 39 HG SER 6 HG SER 6 -24.780 2.135 2.135 40 H ALA 7 H ALA 7 -21.680 1.417 1.417 41 HA ALA 7 HA ALA 7 -20.941 -0.548 -0.548 42 1HB ALA 7 2HB ALA 7 -21.984 -1.389 -1.389 43 2HB ALA 7 3HB ALA 7 -20.651 -0.688 -0.688 44 3HB ALA 7 1HB ALA 7 -20.343 -2.042 -2.042 45 H LEU 8 H LEU 8 -19.507 1.831 1.831 46 HA LEU 8 HA LEU 8 -16.706 1.032 1.032 47 1HB LEU 8 1HB LEU 8 -17.307 2.393 2.393 48 2HB LEU 8 2HB LEU 8 -17.787 3.726 3.726 49 HG LEU 8 HG LEU 8 -15.472 3.842 3.842 50 1HD1 LEU 8 2HD1 LEU 8 -16.208 5.411 5.411 51 2HD1 LEU 8 3HD1 LEU 8 -15.624 4.279 4.279 52 3HD1 LEU 8 1HD1 LEU 8 -14.475 5.059 5.059 53 1HD2 LEU 8 2HD2 LEU 8 -14.716 1.872 1.872 54 2HD2 LEU 8 3HD2 LEU 8 -14.575 1.586 1.586 55 3HD2 LEU 8 1HD2 LEU 8 -13.547 2.799 2.799 56 H ASP 9 H ASP 9 -19.208 3.114 3.114 57 HA ASP 9 HA ASP 9 -17.733 4.447 4.447 58 1HB ASP 9 1HB ASP 9 -20.208 4.834 4.834 59 2HB ASP 9 2HB ASP 9 -20.567 3.200 3.200 60 H LYS 10 H LYS 10 -18.726 1.124 1.124 61 HA LYS 10 HA LYS 10 -18.080 0.490 0.490 62 1HB LYS 10 1HB LYS 10 -19.444 -0.868 -0.868 63 2HB LYS 10 2HB LYS 10 -17.871 -1.555 -1.555 64 1HG LYS 10 1HG LYS 10 -17.873 -1.932 -1.932 65 2HG LYS 10 2HG LYS 10 -19.611 -1.936 -1.936 66 1HD LYS 10 1HD LYS 10 -18.726 -3.684 -3.684 67 2HD LYS 10 2HD LYS 10 -17.457 -3.913 -3.913 68 1HE LYS 10 1HE LYS 10 -19.840 -3.834 -3.834 69 2HE LYS 10 2HE LYS 10 -20.348 -4.735 -4.735 70 1HZ LYS 10 2HZ LYS 10 -17.973 -5.849 -5.849 71 2HZ LYS 10 3HZ LYS 10 -18.353 -5.438 -5.438 72 3HZ LYS 10 1HZ LYS 10 -19.394 -6.416 -6.416 73 H LEU 11 H LEU 11 -16.291 0.484 0.484 74 HA LEU 11 HA LEU 11 -13.992 -0.953 -0.953 75 1HB LEU 11 1HB LEU 11 -14.683 0.189 0.189 76 2HB LEU 11 2HB LEU 11 -12.973 0.065 0.065 77 HG LEU 11 HG LEU 11 -13.448 -1.961 -1.961 78 1HD1 LEU 11 2HD1 LEU 11 -12.169 -2.368 -2.368 79 2HD1 LEU 11 3HD1 LEU 11 -13.686 -2.679 -2.679 80 3HD1 LEU 11 1HD1 LEU 11 -13.166 -3.771 -3.771 81 1HD2 LEU 11 2HD2 LEU 11 -16.027 -2.271 -2.271 82 2HD2 LEU 11 3HD2 LEU 11 -15.928 -1.881 -1.881 83 3HD2 LEU 11 1HD2 LEU 11 -15.414 -3.473 -3.473 84 H LYS 12 H LYS 12 -14.889 2.358 2.358 85 HA LYS 12 HA LYS 12 -12.301 3.577 3.577 86 1HB LYS 12 1HB LYS 12 -14.756 4.654 4.654 87 2HB LYS 12 2HB LYS 12 -14.650 4.416 4.416 88 1HG LYS 12 1HG LYS 12 -13.611 6.488 6.488 89 2HG LYS 12 2HG LYS 12 -12.172 5.654 5.654 90 1HD LYS 12 1HD LYS 12 -12.816 6.258 6.258 91 2HD LYS 12 2HD LYS 12 -14.333 6.972 6.972 92 1HE LYS 12 1HE LYS 12 -12.116 8.079 8.079 93 2HE LYS 12 2HE LYS 12 -11.711 8.266 8.266 94 1HZ LYS 12 2HZ LYS 12 -14.478 8.846 8.846 95 2HZ LYS 12 3HZ LYS 12 -13.399 9.857 9.857 96 3HZ LYS 12 1HZ LYS 12 -13.343 9.727 9.727 97 H GLU 13 H GLU 13 -11.211 4.234 4.234 98 HA GLU 13 HA GLU 13 -10.007 3.393 3.393 99 1HB GLU 13 1HB GLU 13 -12.690 1.947 1.947 100 2HB GLU 13 2HB GLU 13 -11.340 1.553 1.553 101 1HG GLU 13 1HG GLU 13 -11.453 3.598 3.598 102 2HG GLU 13 2HG GLU 13 -11.982 4.527 4.527 103 H PHE 14 H PHE 14 -11.788 0.401 0.401 104 HA PHE 14 HA PHE 14 -9.616 -1.363 -1.363 105 1HB PHE 14 1HB PHE 14 -12.024 -2.067 -2.067 106 2HB PHE 14 2HB PHE 14 -12.005 -1.482 -1.482 107 HD1 PHE 14 HD2 PHE 14 -10.405 -4.055 -4.055 108 HD2 PHE 14 HD1 PHE 14 -11.320 -2.897 -2.897 109 HE1 PHE 14 HE2 PHE 14 -9.526 -6.206 -6.206 110 HE2 PHE 14 HE1 PHE 14 -10.438 -5.045 -5.045 111 HZ PHE 14 HZ PHE 14 -9.533 -6.703 -6.703 112 H GLY 15 H GLY 15 -9.856 1.030 1.030 113 1HA GLY 15 1HA GLY 15 -7.862 -0.544 -0.544 114 2HA GLY 15 2HA GLY 15 -8.608 1.005 1.005 115 H ASN 16 H ASN 16 -8.235 2.465 2.465 116 HA ASN 16 HA ASN 16 -5.594 3.528 3.528 117 1HB ASN 16 1HB ASN 16 -7.304 4.844 4.844 118 2HB ASN 16 2HB ASN 16 -7.522 3.631 3.631 119 1HD2 ASN 16 1HD2 ASN 16 -5.384 5.577 5.577 120 2HD2 ASN 16 2HD2 ASN 16 -7.012 4.732 4.732 121 H THR 17 H THR 17 -6.626 0.873 0.873 122 HA THR 17 HA THR 17 -4.343 0.891 0.891 123 HB THR 17 HB THR 17 -6.130 -1.446 -1.446 124 HG1 THR 17 HG1 THR 17 -7.108 -1.083 -1.083 125 1HG2 THR 17 3HG2 THR 17 -4.293 -1.406 -1.406 126 2HG2 THR 17 1HG2 THR 17 -5.498 -2.662 -2.662 127 3HG2 THR 17 2HG2 THR 17 -4.081 -2.470 -2.470 128 H LEU 18 H LEU 18 -4.859 -0.665 -0.665 129 HA LEU 18 HA LEU 18 -2.258 -2.061 -2.061 130 1HB LEU 18 1HB LEU 18 -3.533 -1.095 -1.095 131 2HB LEU 18 2HB LEU 18 -2.695 -2.601 -2.601 132 HG LEU 18 HG LEU 18 -5.563 -1.868 -1.868 133 1HD1 LEU 18 2HD1 LEU 18 -5.231 -2.509 -2.509 134 2HD1 LEU 18 3HD1 LEU 18 -4.457 -4.036 -4.036 135 3HD1 LEU 18 1HD1 LEU 18 -6.173 -3.741 -3.741 136 1HD2 LEU 18 2HD2 LEU 18 -3.990 -4.447 -4.447 137 2HD2 LEU 18 3HD2 LEU 18 -4.640 -3.247 -3.247 138 3HD2 LEU 18 1HD2 LEU 18 -5.753 -4.238 -4.238 139 H GLU 19 H GLU 19 -3.256 1.161 1.161 140 HA GLU 19 HA GLU 19 -0.474 1.749 1.749 141 1HB GLU 19 1HB GLU 19 -2.827 2.565 2.565 142 2HB GLU 19 2HB GLU 19 -2.820 3.717 3.717 143 1HG GLU 19 1HG GLU 19 -0.383 4.402 4.402 144 2HG GLU 19 2HG GLU 19 -1.018 3.648 3.648 145 H ASP 20 H ASP 20 -0.990 1.079 1.079 146 HA ASP 20 HA ASP 20 0.498 3.526 3.526 147 1HB ASP 20 1HB ASP 20 -2.033 3.412 3.412 148 2HB ASP 20 2HB ASP 20 -1.573 1.998 1.998 149 H LYS 21 H LYS 21 -0.274 0.122 0.122 150 HA LYS 21 HA LYS 21 2.202 -0.261 -0.261 151 1HB LYS 21 1HB LYS 21 0.908 -2.654 -2.654 152 2HB LYS 21 2HB LYS 21 1.457 -2.476 -2.476 153 1HG LYS 21 1HG LYS 21 -0.650 -1.802 -1.802 154 2HG LYS 21 2HG LYS 21 -0.866 -0.675 -0.675 155 1HD LYS 21 1HD LYS 21 -2.107 -3.228 -3.228 156 2HD LYS 21 2HD LYS 21 -2.359 -2.143 -2.143 157 1HE LYS 21 1HE LYS 21 -0.975 -3.375 -3.375 158 2HE LYS 21 2HE LYS 21 0.239 -3.678 -3.678 159 1HZ LYS 21 3HZ LYS 21 -1.724 -5.131 -5.131 160 2HZ LYS 21 1HZ LYS 21 -2.169 -5.205 -5.205 161 3HZ LYS 21 2HZ LYS 21 -0.645 -5.730 -5.730 162 H ALA 22 H ALA 22 1.279 -0.475 -0.475 163 HA ALA 22 HA ALA 22 3.987 -1.569 -1.569 164 1HB ALA 22 2HB ALA 22 1.925 -2.113 -2.113 165 2HB ALA 22 3HB ALA 22 1.681 -0.388 -0.388 166 3HB ALA 22 1HB ALA 22 3.102 -1.247 -1.247 167 H ARG 23 H ARG 23 2.348 1.499 1.499 168 HA ARG 23 HA ARG 23 4.552 3.044 3.044 169 1HB ARG 23 1HB ARG 23 2.567 4.303 4.303 170 2HB ARG 23 2HB ARG 23 1.988 3.586 3.586 171 1HG ARG 23 1HG ARG 23 4.282 5.692 5.692 172 2HG ARG 23 2HG ARG 23 2.581 6.136 6.136 173 1HD ARG 23 1HD ARG 23 2.835 4.192 4.192 174 2HD ARG 23 2HD ARG 23 4.414 5.014 5.014 175 HE ARG 23 HE ARG 23 2.099 6.876 6.876 176 1HH1 ARG 23 2HH2 ARG 23 4.132 5.232 5.232 177 2HH1 ARG 23 1HH2 ARG 23 3.735 6.437 6.437 178 1HH2 ARG 23 1HH1 ARG 23 1.723 8.142 8.142 179 2HH2 ARG 23 2HH1 ARG 23 2.426 8.021 8.021 180 H GLU 24 H GLU 24 3.906 1.791 1.791 181 HA GLU 24 HA GLU 24 6.111 3.445 3.445 182 1HB GLU 24 1HB GLU 24 4.111 2.874 2.874 183 2HB GLU 24 2HB GLU 24 4.349 1.164 1.164 184 1HG GLU 24 1HG GLU 24 6.571 1.272 1.272 185 2HG GLU 24 2HG GLU 24 6.475 2.999 2.999 186 H LEU 25 H LEU 25 5.586 0.023 0.023 187 HA LEU 25 HA LEU 25 8.339 -0.786 -0.786 188 1HB LEU 25 1HB LEU 25 7.247 -2.758 -2.758 189 2HB LEU 25 2HB LEU 25 5.950 -1.953 -1.953 190 HG LEU 25 HG LEU 25 8.602 -2.616 -2.616 191 1HD1 LEU 25 2HD1 LEU 25 7.715 -4.730 -4.730 192 2HD1 LEU 25 3HD1 LEU 25 6.131 -4.466 -4.466 193 3HD1 LEU 25 1HD1 LEU 25 7.573 -4.775 -4.775 194 1HD2 LEU 25 2HD2 LEU 25 5.728 -2.166 -2.166 195 2HD2 LEU 25 3HD2 LEU 25 7.128 -1.084 -1.084 196 3HD2 LEU 25 1HD2 LEU 25 7.127 -2.667 -2.667 197 H ILE 26 H ILE 26 6.993 0.962 0.962 198 HA ILE 26 HA ILE 26 9.399 0.674 0.674 199 HB ILE 26 HB ILE 26 6.940 2.409 2.409 200 1HG1 ILE 26 1HG1 ILE 26 8.333 1.556 1.556 201 2HG1 ILE 26 2HG1 ILE 26 7.598 0.317 0.317 202 1HG2 ILE 26 2HG2 ILE 26 8.658 4.277 4.277 203 2HG2 ILE 26 3HG2 ILE 26 9.457 3.477 3.477 204 3HG2 ILE 26 1HG2 ILE 26 7.815 4.140 4.140 205 1HD1 ILE 26 2HD1 ILE 26 5.353 1.463 1.463 206 2HD1 ILE 26 3HD1 ILE 26 6.031 2.687 2.687 207 3HD1 ILE 26 1HD1 ILE 26 5.965 0.989 0.989 208 H SER 27 H SER 27 8.455 2.901 2.901 209 HA SER 27 HA SER 27 10.935 4.461 4.461 210 1HB SER 27 1HB SER 27 9.231 5.411 5.411 211 2HB SER 27 2HB SER 27 8.870 3.910 3.910 212 HG SER 27 HG SER 27 10.566 5.862 5.862 213 H ARG 28 H ARG 28 10.129 1.351 1.351 214 HA ARG 28 HA ARG 28 12.822 0.969 0.969 215 1HB ARG 28 1HB ARG 28 11.075 -0.402 -0.402 216 2HB ARG 28 2HB ARG 28 10.376 -0.768 -0.768 217 1HG ARG 28 1HG ARG 28 13.120 -1.900 -1.900 218 2HG ARG 28 2HG ARG 28 12.258 -2.351 -2.351 219 1HD ARG 28 1HD ARG 28 10.277 -2.871 -2.871 220 2HD ARG 28 2HD ARG 28 11.725 -3.121 -3.121 221 HE ARG 28 HE ARG 28 12.332 -5.006 -5.006 222 1HH1 ARG 28 2HH2 ARG 28 9.800 -3.298 -3.298 223 2HH1 ARG 28 1HH2 ARG 28 9.564 -4.663 -4.663 224 1HH2 ARG 28 1HH1 ARG 28 12.020 -6.441 -6.441 225 2HH2 ARG 28 2HH1 ARG 28 10.768 -6.375 -6.375 226 H ILE 29 H ILE 29 11.458 0.667 0.667 227 HA ILE 29 HA ILE 29 13.427 -1.334 -1.334 228 HB ILE 29 HB ILE 29 11.327 0.435 0.435 229 1HG1 ILE 29 1HG1 ILE 29 11.628 -2.279 -2.279 230 2HG1 ILE 29 2HG1 ILE 29 11.507 -2.360 -2.360 231 1HG2 ILE 29 2HG2 ILE 29 13.284 0.888 0.888 232 2HG2 ILE 29 3HG2 ILE 29 13.556 -0.862 -0.862 233 3HG2 ILE 29 1HG2 ILE 29 12.083 -0.086 -0.086 234 1HD1 ILE 29 2HD1 ILE 29 9.357 -1.044 -1.044 235 2HD1 ILE 29 3HD1 ILE 29 9.380 -1.032 -1.032 236 3HD1 ILE 29 1HD1 ILE 29 9.255 -2.569 -2.569 237 H LYS 30 H LYS 30 13.189 2.148 2.148 238 HA LYS 30 HA LYS 30 15.769 2.660 2.660 239 1HB LYS 30 1HB LYS 30 13.985 4.193 4.193 240 2HB LYS 30 2HB LYS 30 15.614 4.793 4.793 241 1HG LYS 30 1HG LYS 30 14.433 5.989 5.989 242 2HG LYS 30 2HG LYS 30 14.960 4.596 4.596 243 1HD LYS 30 1HD LYS 30 12.679 3.564 3.564 244 2HD LYS 30 2HD LYS 30 12.203 4.923 4.923 245 1HE LYS 30 1HE LYS 30 11.371 5.460 5.460 246 2HE LYS 30 2HE LYS 30 12.737 6.546 6.546 247 1HZ LYS 30 1HZ LYS 30 14.123 4.653 4.653 248 2HZ LYS 30 2HZ LYS 30 12.656 4.137 4.137 249 3HZ LYS 30 3HZ LYS 30 13.231 5.678 5.678 250 H GLN 31 H GLN 31 14.842 1.817 1.817 251 HA GLN 31 HA GLN 31 17.732 1.805 1.805 252 1HB GLN 31 1HB GLN 31 15.294 2.149 2.149 253 2HB GLN 31 2HB GLN 31 15.588 0.443 0.443 254 1HG GLN 31 1HG GLN 31 18.073 1.489 1.489 255 2HG GLN 31 2HG GLN 31 17.082 2.897 2.897 256 1HE2 GLN 31 2HE2 GLN 31 15.724 1.390 1.390 257 2HE2 GLN 31 1HE2 GLN 31 15.508 2.717 2.717 258 H SER 32 H SER 32 17.577 0.308 0.308 259 HA SER 32 HA SER 32 18.673 -2.216 -2.216 260 1HB SER 32 1HB SER 32 16.134 -2.631 -2.631 261 2HB SER 32 2HB SER 32 15.988 -2.573 -2.573 262 HG SER 32 HG SER 32 16.418 -4.677 -4.677 263 H GLU 33 H GLU 33 19.674 -0.255 -0.255 264 HA GLU 33 HA GLU 33 19.843 -1.685 -1.685 265 1HB GLU 33 1HB GLU 33 18.809 1.020 1.020 266 2HB GLU 33 2HB GLU 33 20.195 1.187 1.187 267 1HG GLU 33 1HG GLU 33 18.487 -0.870 -0.870 268 2HG GLU 33 2HG GLU 33 17.416 0.407 0.407 269 H LEU 34 H LEU 34 21.527 -1.273 -1.273 270 HA LEU 34 HA LEU 34 24.072 -0.277 -0.277 271 1HB LEU 34 1HB LEU 34 24.810 -1.992 -1.992 272 2HB LEU 34 2HB LEU 34 24.479 -0.279 -0.279 273 HG LEU 34 HG LEU 34 23.393 -1.801 -1.801 274 1HD1 LEU 34 2HD1 LEU 34 22.613 0.556 0.556 275 2HD1 LEU 34 3HD1 LEU 34 21.502 0.019 0.019 276 3HD1 LEU 34 1HD1 LEU 34 21.234 -0.482 -0.482 277 1HD2 LEU 34 2HD2 LEU 34 21.514 -2.626 -2.626 278 2HD2 LEU 34 3HD2 LEU 34 22.560 -3.678 -3.678 279 3HD2 LEU 34 1HD2 LEU 34 21.170 -2.884 -2.884 280 H SER 35 H SER 35 23.581 -3.459 -3.459 281 HA SER 35 HA SER 35 24.308 -5.582 -5.582 282 1HB SER 35 1HB SER 35 25.419 -4.544 -4.544 283 2HB SER 35 2HB SER 35 24.783 -6.140 -6.140 284 HG SER 35 HG SER 35 23.206 -5.152 -5.152 285 H ALA 36 H ALA 36 25.609 -3.548 -3.548 286 HA ALA 36 HA ALA 36 27.762 -2.957 -2.957 287 1HB ALA 36 2HB ALA 36 27.525 -5.356 -5.356 288 2HB ALA 36 3HB ALA 36 28.256 -5.945 -5.945 289 3HB ALA 36 1HB ALA 36 29.226 -5.001 -5.001 290 H LYS 37 H LYS 37 27.646 -1.693 -1.693 291 HA LYS 37 HA LYS 37 29.051 -0.615 -0.615 292 1HB LYS 37 1HB LYS 37 31.527 -2.200 -2.200 293 2HB LYS 37 2HB LYS 37 31.302 -0.456 -0.456 294 1HG LYS 37 1HG LYS 37 29.733 -1.276 -1.276 295 2HG LYS 37 2HG LYS 37 31.133 -2.344 -2.344 296 1HD LYS 37 1HD LYS 37 31.441 -0.281 -0.281 297 2HD LYS 37 2HD LYS 37 32.639 -0.337 -0.337 298 1HE LYS 37 1HE LYS 37 31.370 1.247 1.247 299 2HE LYS 37 2HE LYS 37 29.934 1.136 1.136 300 1HZ LYS 37 3HZ LYS 37 32.497 1.991 1.991 301 2HZ LYS 37 1HZ LYS 37 31.561 3.083 3.083 302 3HZ LYS 37 2HZ LYS 37 30.925 2.332 2.332 303 H MET 38 H MET 38 27.699 -3.148 -3.148 304 HA MET 38 HA MET 38 29.462 -4.213 -4.213 305 1HB MET 38 1HB MET 38 28.109 -5.981 -5.981 306 2HB MET 38 2HB MET 38 26.832 -4.920 -4.920 307 1HG MET 38 1HG MET 38 25.579 -5.168 -5.168 308 2HG MET 38 2HG MET 38 26.990 -4.936 -4.936 309 1HE MET 38 2HE MET 38 25.980 -6.464 -6.464 310 2HE MET 38 1HE MET 38 25.926 -8.251 -8.251 311 3HE MET 38 3HE MET 38 24.655 -7.266 -7.266 Start of MODEL 22 1 1H THR 1 1H THR 1 -18.033 -10.357 -10.357 2 2H THR 1 2H THR 1 -17.253 -8.900 -8.900 3 3H THR 1 3H THR 1 -16.392 -10.195 -10.195 4 HA THR 1 HA THR 1 -17.235 -10.000 -10.000 5 HB THR 1 HB THR 1 -17.622 -7.066 -7.066 6 HG1 THR 1 HG1 THR 1 -15.394 -6.866 -6.866 7 1HG2 THR 1 3HG2 THR 1 -15.794 -8.394 -8.394 8 2HG2 THR 1 1HG2 THR 1 -15.998 -6.641 -6.641 9 3HG2 THR 1 2HG2 THR 1 -17.355 -7.607 -7.607 10 HA PRO 2 HA PRO 2 -21.614 -9.829 -9.829 11 1HB PRO 2 1HB PRO 2 -20.776 -8.191 -8.191 12 2HB PRO 2 2HB PRO 2 -21.884 -9.719 -9.719 13 1HG PRO 2 1HG PRO 2 -19.202 -9.847 -9.847 14 2HG PRO 2 2HG PRO 2 -20.082 -11.113 -11.113 15 1HD PRO 2 1HD PRO 2 -18.245 -8.663 -8.663 16 2HD PRO 2 2HD PRO 2 -18.040 -10.390 -10.390 17 H ASP 3 H ASP 3 -23.009 -8.032 -8.032 18 HA ASP 3 HA ASP 3 -23.528 -5.885 -5.885 19 1HB ASP 3 1HB ASP 3 -24.903 -6.728 -6.728 20 2HB ASP 3 2HB ASP 3 -23.950 -5.537 -5.537 21 H VAL 4 H VAL 4 -21.957 -4.807 -4.807 22 HA VAL 4 HA VAL 4 -19.685 -3.915 -3.915 23 HB VAL 4 HB VAL 4 -19.923 -4.614 -4.614 24 1HG1 VAL 4 1HG2 VAL 4 -19.626 -1.530 -1.530 25 2HG1 VAL 4 2HG2 VAL 4 -19.331 -2.656 -2.656 26 3HG1 VAL 4 3HG2 VAL 4 -20.953 -2.484 -2.484 27 1HG2 VAL 4 2HG1 VAL 4 -17.736 -4.553 -4.553 28 2HG2 VAL 4 3HG1 VAL 4 -17.573 -3.891 -3.891 29 3HG2 VAL 4 1HG1 VAL 4 -17.647 -2.791 -2.791 30 H SER 5 H SER 5 -22.709 -2.675 -2.675 31 HA SER 5 HA SER 5 -22.076 0.180 0.180 32 1HB SER 5 1HB SER 5 -24.436 -1.438 -1.438 33 2HB SER 5 2HB SER 5 -24.355 0.290 0.290 34 HG SER 5 HG SER 5 -23.846 -0.009 -0.009 35 H SER 6 H SER 6 -22.531 -2.117 -2.117 36 HA SER 6 HA SER 6 -20.960 -0.176 -0.176 37 1HB SER 6 1HB SER 6 -21.605 -2.287 -2.287 38 2HB SER 6 2HB SER 6 -22.578 -0.834 -0.834 39 HG SER 6 HG SER 6 -22.907 -3.194 -3.194 40 H ALA 7 H ALA 7 -19.763 -1.420 -1.420 41 HA ALA 7 HA ALA 7 -17.926 -3.471 -3.471 42 1HB ALA 7 2HB ALA 7 -18.509 -3.573 -3.573 43 2HB ALA 7 3HB ALA 7 -17.806 -1.958 -1.958 44 3HB ALA 7 1HB ALA 7 -16.763 -3.328 -3.328 45 H LEU 8 H LEU 8 -15.839 -3.230 -3.230 46 HA LEU 8 HA LEU 8 -14.533 -2.079 -2.079 47 1HB LEU 8 1HB LEU 8 -13.398 -2.070 -2.070 48 2HB LEU 8 2HB LEU 8 -14.321 -0.715 -0.715 49 HG LEU 8 HG LEU 8 -11.750 -0.421 -0.421 50 1HD1 LEU 8 2HD1 LEU 8 -13.228 1.405 1.405 51 2HD1 LEU 8 3HD1 LEU 8 -13.890 1.690 1.690 52 3HD1 LEU 8 1HD1 LEU 8 -12.173 2.013 2.013 53 1HD2 LEU 8 2HD2 LEU 8 -13.150 0.018 0.018 54 2HD2 LEU 8 3HD2 LEU 8 -11.894 -1.187 -1.187 55 3HD2 LEU 8 1HD2 LEU 8 -11.485 0.532 0.532 56 H ASP 9 H ASP 9 -17.249 -1.254 -1.254 57 HA ASP 9 HA ASP 9 -17.033 1.629 1.629 58 1HB ASP 9 1HB ASP 9 -19.213 1.187 1.187 59 2HB ASP 9 2HB ASP 9 -19.287 -0.423 -0.423 60 H LYS 10 H LYS 10 -17.475 -1.547 -1.547 61 HA LYS 10 HA LYS 10 -17.747 -0.877 -0.877 62 1HB LYS 10 1HB LYS 10 -16.365 -3.014 -3.014 63 2HB LYS 10 2HB LYS 10 -17.721 -3.226 -3.226 64 1HG LYS 10 1HG LYS 10 -15.855 -2.744 -2.744 65 2HG LYS 10 2HG LYS 10 -14.714 -3.158 -3.158 66 1HD LYS 10 1HD LYS 10 -17.007 -5.088 -5.088 67 2HD LYS 10 2HD LYS 10 -15.946 -4.914 -4.914 68 1HE LYS 10 1HE LYS 10 -13.919 -5.446 -5.446 69 2HE LYS 10 2HE LYS 10 -14.808 -5.373 -5.373 70 1HZ LYS 10 1HZ LYS 10 -15.831 -7.203 -7.203 71 2HZ LYS 10 2HZ LYS 10 -14.411 -7.628 -7.628 72 3HZ LYS 10 3HZ LYS 10 -15.817 -7.353 -7.353 73 H LEU 11 H LEU 11 -14.720 -1.013 -1.013 74 HA LEU 11 HA LEU 11 -13.130 -0.065 -0.065 75 1HB LEU 11 1HB LEU 11 -12.513 -0.183 -0.183 76 2HB LEU 11 2HB LEU 11 -11.354 0.408 0.408 77 HG LEU 11 HG LEU 11 -12.518 -2.442 -2.442 78 1HD1 LEU 11 2HD1 LEU 11 -11.003 -1.941 -1.941 79 2HD1 LEU 11 3HD1 LEU 11 -9.721 -1.401 -1.401 80 3HD1 LEU 11 1HD1 LEU 11 -10.249 -3.101 -3.101 81 1HD2 LEU 11 2HD2 LEU 11 -10.285 -1.256 -1.256 82 2HD2 LEU 11 3HD2 LEU 11 -11.867 -1.877 -1.877 83 3HD2 LEU 11 1HD2 LEU 11 -10.672 -2.994 -2.994 84 H LYS 12 H LYS 12 -12.973 1.660 1.660 85 HA LYS 12 HA LYS 12 -12.230 3.989 3.989 86 1HB LYS 12 1HB LYS 12 -15.236 3.577 3.577 87 2HB LYS 12 2HB LYS 12 -14.683 5.239 5.239 88 1HG LYS 12 1HG LYS 12 -13.309 3.954 3.954 89 2HG LYS 12 2HG LYS 12 -15.042 3.664 3.664 90 1HD LYS 12 1HD LYS 12 -15.369 5.828 5.828 91 2HD LYS 12 2HD LYS 12 -14.498 6.485 6.485 92 1HE LYS 12 1HE LYS 12 -12.603 6.872 6.872 93 2HE LYS 12 2HE LYS 12 -12.526 5.176 5.176 94 1HZ LYS 12 2HZ LYS 12 -14.565 5.973 5.973 95 2HZ LYS 12 3HZ LYS 12 -13.756 7.442 7.442 96 3HZ LYS 12 1HZ LYS 12 -12.963 6.098 6.098 97 H GLU 13 H GLU 13 -11.050 3.601 3.601 98 HA GLU 13 HA GLU 13 -11.284 5.709 5.709 99 1HB GLU 13 1HB GLU 13 -13.721 4.633 4.633 100 2HB GLU 13 2HB GLU 13 -12.941 3.388 3.388 101 1HG GLU 13 1HG GLU 13 -14.060 5.295 5.295 102 2HG GLU 13 2HG GLU 13 -12.428 4.911 4.911 103 H PHE 14 H PHE 14 -11.674 2.472 2.472 104 HA PHE 14 HA PHE 14 -9.141 2.140 2.140 105 1HB PHE 14 1HB PHE 14 -10.806 0.375 0.375 106 2HB PHE 14 2HB PHE 14 -10.943 0.130 0.130 107 HD1 PHE 14 HD1 PHE 14 -8.600 -0.342 -0.342 108 HD2 PHE 14 HD2 PHE 14 -9.566 -1.539 -1.539 109 HE1 PHE 14 HE1 PHE 14 -6.935 -2.146 -2.146 110 HE2 PHE 14 HE2 PHE 14 -7.916 -3.364 -3.364 111 HZ PHE 14 HZ PHE 14 -6.589 -3.664 -3.664 112 H GLY 15 H GLY 15 -9.526 2.440 2.440 113 1HA GLY 15 1HA GLY 15 -6.781 1.257 1.257 114 2HA GLY 15 2HA GLY 15 -7.811 2.052 2.052 115 H ASN 16 H ASN 16 -8.377 4.420 4.420 116 HA ASN 16 HA ASN 16 -6.154 6.073 6.073 117 1HB ASN 16 1HB ASN 16 -8.136 7.324 7.324 118 2HB ASN 16 2HB ASN 16 -8.653 6.421 6.421 119 1HD2 ASN 16 1HD2 ASN 16 -7.847 9.382 9.382 120 2HD2 ASN 16 2HD2 ASN 16 -9.138 8.157 8.157 121 H THR 17 H THR 17 -6.882 4.587 4.587 122 HA THR 17 HA THR 17 -4.822 6.160 6.160 123 HB THR 17 HB THR 17 -6.188 3.495 3.495 124 HG1 THR 17 HG1 THR 17 -7.524 4.857 4.857 125 1HG2 THR 17 3HG2 THR 17 -4.815 5.556 5.556 126 2HG2 THR 17 1HG2 THR 17 -5.755 4.140 4.140 127 3HG2 THR 17 2HG2 THR 17 -4.227 3.906 3.906 128 H LEU 18 H LEU 18 -4.896 3.080 3.080 129 HA LEU 18 HA LEU 18 -2.187 2.282 2.282 130 1HB LEU 18 1HB LEU 18 -2.521 0.388 0.388 131 2HB LEU 18 2HB LEU 18 -4.191 0.914 0.914 132 HG LEU 18 HG LEU 18 -3.411 2.233 2.233 133 1HD1 LEU 18 3HD2 LEU 18 -1.105 1.086 1.086 134 2HD1 LEU 18 1HD2 LEU 18 -1.909 -0.472 -0.472 135 3HD1 LEU 18 2HD2 LEU 18 -2.007 0.763 0.763 136 1HD2 LEU 18 2HD1 LEU 18 -5.439 0.744 0.744 137 2HD2 LEU 18 3HD1 LEU 18 -4.671 0.445 0.445 138 3HD2 LEU 18 1HD1 LEU 18 -4.416 -0.686 -0.686 139 H GLU 19 H GLU 19 -3.328 4.507 4.507 140 HA GLU 19 HA GLU 19 -0.519 4.726 4.726 141 1HB GLU 19 1HB GLU 19 -2.851 4.986 4.986 142 2HB GLU 19 2HB GLU 19 -2.920 6.579 6.579 143 1HG GLU 19 1HG GLU 19 -1.384 7.474 7.474 144 2HG GLU 19 2HG GLU 19 -0.310 6.100 6.100 145 H ASP 20 H ASP 20 -1.174 5.274 5.274 146 HA ASP 20 HA ASP 20 0.322 7.925 7.925 147 1HB ASP 20 1HB ASP 20 -2.146 8.041 8.041 148 2HB ASP 20 2HB ASP 20 -1.550 7.082 7.082 149 H LYS 21 H LYS 21 -0.288 4.925 4.925 150 HA LYS 21 HA LYS 21 2.342 5.113 5.113 151 1HB LYS 21 1HB LYS 21 0.575 2.607 2.607 152 2HB LYS 21 2HB LYS 21 1.808 2.810 2.810 153 1HG LYS 21 1HG LYS 21 0.211 3.669 3.669 154 2HG LYS 21 2HG LYS 21 -0.010 5.042 5.042 155 1HD LYS 21 1HD LYS 21 -1.975 3.276 3.276 156 2HD LYS 21 2HD LYS 21 -2.035 4.204 4.204 157 1HE LYS 21 1HE LYS 21 -1.608 2.343 2.343 158 2HE LYS 21 2HE LYS 21 -0.378 1.693 1.693 159 1HZ LYS 21 1HZ LYS 21 -3.250 1.655 1.655 160 2HZ LYS 21 2HZ LYS 21 -2.545 0.433 0.433 161 3HZ LYS 21 3HZ LYS 21 -1.990 0.745 0.745 162 H ALA 22 H ALA 22 1.116 3.759 3.759 163 HA ALA 22 HA ALA 22 3.503 2.188 2.188 164 1HB ALA 22 2HB ALA 22 1.303 2.012 2.012 165 2HB ALA 22 3HB ALA 22 1.492 3.668 3.668 166 3HB ALA 22 1HB ALA 22 2.607 2.381 2.381 167 H ARG 23 H ARG 23 2.900 5.591 5.591 168 HA ARG 23 HA ARG 23 4.967 6.293 6.293 169 1HB ARG 23 1HB ARG 23 3.172 7.685 7.685 170 2HB ARG 23 2HB ARG 23 4.733 8.477 8.477 171 1HG ARG 23 1HG ARG 23 3.261 9.561 9.561 172 2HG ARG 23 2HG ARG 23 4.432 8.621 8.621 173 1HD ARG 23 1HD ARG 23 2.587 6.693 6.693 174 2HD ARG 23 2HD ARG 23 1.471 7.999 7.999 175 HE ARG 23 HE ARG 23 2.488 9.243 9.243 176 1HH1 ARG 23 2HH2 ARG 23 1.897 5.823 5.823 177 2HH1 ARG 23 1HH2 ARG 23 1.679 5.704 5.704 178 1HH2 ARG 23 1HH1 ARG 23 2.240 9.033 9.033 179 2HH2 ARG 23 2HH1 ARG 23 1.861 7.444 7.444 180 H GLU 24 H GLU 24 4.998 6.258 6.258 181 HA GLU 24 HA GLU 24 7.880 7.018 7.018 182 1HB GLU 24 1HB GLU 24 6.245 5.730 5.730 183 2HB GLU 24 2HB GLU 24 7.670 6.725 6.725 184 1HG GLU 24 1HG GLU 24 6.469 8.774 8.774 185 2HG GLU 24 2HG GLU 24 5.194 8.005 8.005 186 H LEU 25 H LEU 25 6.032 4.052 4.052 187 HA LEU 25 HA LEU 25 8.337 2.289 2.289 188 1HB LEU 25 1HB LEU 25 6.396 1.071 1.071 189 2HB LEU 25 2HB LEU 25 5.458 2.001 2.001 190 HG LEU 25 HG LEU 25 7.477 -0.004 -0.004 191 1HD1 LEU 25 2HD1 LEU 25 6.289 -1.239 -1.239 192 2HD1 LEU 25 3HD1 LEU 25 4.710 -0.787 -0.787 193 3HD1 LEU 25 1HD1 LEU 25 5.809 -1.855 -1.855 194 1HD2 LEU 25 2HD2 LEU 25 4.665 0.900 0.900 195 2HD2 LEU 25 3HD2 LEU 25 6.230 1.352 1.352 196 3HD2 LEU 25 1HD2 LEU 25 5.676 -0.323 -0.323 197 H ILE 26 H ILE 26 7.175 3.919 3.919 198 HA ILE 26 HA ILE 26 8.420 2.048 2.048 199 HB ILE 26 HB ILE 26 7.064 4.733 4.733 200 1HG1 ILE 26 1HG1 ILE 26 6.890 2.621 2.621 201 2HG1 ILE 26 2HG1 ILE 26 6.122 2.310 2.310 202 1HG2 ILE 26 2HG2 ILE 26 9.185 5.367 5.367 203 2HG2 ILE 26 3HG2 ILE 26 8.997 3.953 3.953 204 3HG2 ILE 26 1HG2 ILE 26 7.836 5.297 5.297 205 1HD1 ILE 26 2HD1 ILE 26 4.736 4.410 4.410 206 2HD1 ILE 26 3HD1 ILE 26 5.409 4.709 4.709 207 3HD1 ILE 26 1HD1 ILE 26 4.440 3.257 3.257 208 H SER 27 H SER 27 9.514 4.848 4.848 209 HA SER 27 HA SER 27 12.108 5.009 5.009 210 1HB SER 27 1HB SER 27 12.402 6.802 6.802 211 2HB SER 27 2HB SER 27 10.833 6.480 6.480 212 HG SER 27 HG SER 27 12.999 6.512 6.512 213 H ARG 28 H ARG 28 10.864 3.066 3.066 214 HA ARG 28 HA ARG 28 13.494 1.778 1.778 215 1HB ARG 28 1HB ARG 28 11.893 1.636 1.636 216 2HB ARG 28 2HB ARG 28 10.561 1.241 1.241 217 1HG ARG 28 1HG ARG 28 11.997 -1.067 -1.067 218 2HG ARG 28 2HG ARG 28 12.755 -0.596 -0.596 219 1HD ARG 28 1HD ARG 28 9.717 -0.472 -0.472 220 2HD ARG 28 2HD ARG 28 10.450 -2.094 -2.094 221 HE ARG 28 HE ARG 28 11.353 -1.850 -1.850 222 1HH1 ARG 28 2HH2 ARG 28 9.980 1.177 1.177 223 2HH1 ARG 28 1HH2 ARG 28 10.073 1.874 1.874 224 1HH2 ARG 28 1HH1 ARG 28 11.422 -1.030 -1.030 225 2HH2 ARG 28 2HH1 ARG 28 10.856 0.679 0.679 226 H ILE 29 H ILE 29 11.018 1.377 1.377 227 HA ILE 29 HA ILE 29 11.698 -1.510 -1.510 228 HB ILE 29 HB ILE 29 9.699 0.466 0.466 229 1HG1 ILE 29 1HG1 ILE 29 8.337 -0.722 -0.722 230 2HG1 ILE 29 2HG1 ILE 29 8.370 -1.971 -1.971 231 1HG2 ILE 29 2HG2 ILE 29 10.669 -0.515 -0.515 232 2HG2 ILE 29 3HG2 ILE 29 10.398 -2.161 -2.161 233 3HG2 ILE 29 1HG2 ILE 29 9.037 -1.084 -1.084 234 1HD1 ILE 29 2HD1 ILE 29 10.266 -3.168 -3.168 235 2HD1 ILE 29 3HD1 ILE 29 10.196 -1.981 -1.981 236 3HD1 ILE 29 1HD1 ILE 29 8.805 -3.030 -3.030 237 H LYS 30 H LYS 30 12.435 1.598 1.598 238 HA LYS 30 HA LYS 30 13.468 0.648 0.648 239 1HB LYS 30 1HB LYS 30 13.884 3.143 3.143 240 2HB LYS 30 2HB LYS 30 15.009 2.881 2.881 241 1HG LYS 30 1HG LYS 30 12.836 4.319 4.319 242 2HG LYS 30 2HG LYS 30 13.314 3.127 3.127 243 1HD LYS 30 1HD LYS 30 11.594 1.619 1.619 244 2HD LYS 30 2HD LYS 30 10.929 3.242 3.242 245 1HE LYS 30 1HE LYS 30 11.127 3.546 3.546 246 2HE LYS 30 2HE LYS 30 11.274 1.782 1.782 247 1HZ LYS 30 3HZ LYS 30 9.216 1.854 1.854 248 2HZ LYS 30 1HZ LYS 30 9.004 3.403 3.403 249 3HZ LYS 30 2HZ LYS 30 9.025 2.078 2.078 250 H GLN 31 H GLN 31 14.863 0.897 0.897 251 HA GLN 31 HA GLN 31 17.596 0.221 0.221 252 1HB GLN 31 1HB GLN 31 16.679 1.896 1.896 253 2HB GLN 31 2HB GLN 31 17.115 0.469 0.469 254 1HG GLN 31 1HG GLN 31 19.480 0.655 0.655 255 2HG GLN 31 2HG GLN 31 18.964 2.280 2.280 256 1HE2 GLN 31 2HE2 GLN 31 19.356 3.084 3.084 257 2HE2 GLN 31 1HE2 GLN 31 17.941 3.116 3.116 258 H SER 32 H SER 32 15.722 -1.798 -1.798 259 HA SER 32 HA SER 32 17.281 -4.026 -4.026 260 1HB SER 32 1HB SER 32 15.582 -4.963 -4.963 261 2HB SER 32 2HB SER 32 16.802 -3.811 -3.811 262 HG SER 32 HG SER 32 14.273 -3.595 -3.595 263 H GLU 33 H GLU 33 16.068 -3.339 -3.339 264 HA GLU 33 HA GLU 33 14.111 -5.690 -5.690 265 1HB GLU 33 1HB GLU 33 13.756 -2.810 -2.810 266 2HB GLU 33 2HB GLU 33 13.576 -3.729 -3.729 267 1HG GLU 33 1HG GLU 33 11.940 -5.187 -5.187 268 2HG GLU 33 2HG GLU 33 11.734 -3.547 -3.547 269 H LEU 34 H LEU 34 17.063 -5.307 -5.307 270 HA LEU 34 HA LEU 34 16.828 -6.702 -6.702 271 1HB LEU 34 1HB LEU 34 19.268 -5.906 -5.906 272 2HB LEU 34 2HB LEU 34 17.999 -4.711 -4.711 273 HG LEU 34 HG LEU 34 19.859 -4.983 -4.983 274 1HD1 LEU 34 2HD1 LEU 34 21.013 -4.156 -4.156 275 2HD1 LEU 34 3HD1 LEU 34 19.796 -2.869 -2.869 276 3HD1 LEU 34 1HD1 LEU 34 20.889 -2.871 -2.871 277 1HD2 LEU 34 2HD2 LEU 34 17.692 -2.846 -2.846 278 2HD2 LEU 34 3HD2 LEU 34 17.694 -4.019 -4.019 279 3HD2 LEU 34 1HD2 LEU 34 18.909 -2.737 -2.737 280 H SER 35 H SER 35 18.496 -6.496 -6.496 281 HA SER 35 HA SER 35 19.992 -8.053 -8.053 282 1HB SER 35 1HB SER 35 18.828 -10.357 -10.357 283 2HB SER 35 2HB SER 35 19.373 -10.376 -10.376 284 HG SER 35 HG SER 35 17.441 -9.792 -9.792 285 H ALA 36 H ALA 36 20.644 -6.641 -6.641 286 HA ALA 36 HA ALA 36 22.161 -8.617 -8.617 287 1HB ALA 36 2HB ALA 36 20.697 -6.882 -6.882 288 2HB ALA 36 3HB ALA 36 21.613 -5.572 -5.572 289 3HB ALA 36 1HB ALA 36 22.391 -6.601 -6.601 290 H LYS 37 H LYS 37 22.967 -7.875 -7.875 291 HA LYS 37 HA LYS 37 24.807 -6.891 -6.891 292 1HB LYS 37 1HB LYS 37 26.771 -7.580 -7.580 293 2HB LYS 37 2HB LYS 37 26.759 -8.073 -8.073 294 1HG LYS 37 1HG LYS 37 24.515 -9.474 -9.474 295 2HG LYS 37 2HG LYS 37 25.635 -9.469 -9.469 296 1HD LYS 37 1HD LYS 37 26.761 -10.226 -10.226 297 2HD LYS 37 2HD LYS 37 25.566 -11.340 -11.340 298 1HE LYS 37 1HE LYS 37 26.938 -11.962 -11.962 299 2HE LYS 37 2HE LYS 37 27.652 -10.351 -10.351 300 1HZ LYS 37 2HZ LYS 37 28.244 -11.933 -11.933 301 2HZ LYS 37 3HZ LYS 37 29.050 -12.261 -12.261 302 3HZ LYS 37 1HZ LYS 37 29.158 -10.734 -10.734 303 H MET 38 H MET 38 23.393 -5.141 -5.141 304 HA MET 38 HA MET 38 25.579 -3.549 -3.549 305 1HB MET 38 1HB MET 38 22.745 -3.992 -3.992 306 2HB MET 38 2HB MET 38 22.894 -2.297 -2.297 307 1HG MET 38 1HG MET 38 24.944 -3.086 -3.086 308 2HG MET 38 2HG MET 38 23.275 -3.383 -3.383 309 1HE MET 38 2HE MET 38 22.643 -2.180 -2.180 310 2HE MET 38 1HE MET 38 21.605 -0.860 -0.860 311 3HE MET 38 3HE MET 38 23.034 -0.477 -0.477 Start of MODEL 23 1 1H THR 1 2H THR 1 -23.857 -10.824 -10.824 2 2H THR 1 3H THR 1 -22.560 -10.003 -10.003 3 3H THR 1 1H THR 1 -22.354 -11.571 -11.571 4 HA THR 1 HA THR 1 -22.299 -11.000 -11.000 5 HB THR 1 HB THR 1 -20.674 -9.516 -9.516 6 HG1 THR 1 HG1 THR 1 -19.461 -9.149 -9.149 7 1HG2 THR 1 3HG2 THR 1 -21.803 -7.488 -7.488 8 2HG2 THR 1 1HG2 THR 1 -20.358 -7.240 -7.240 9 3HG2 THR 1 2HG2 THR 1 -21.946 -7.339 -7.339 10 HA PRO 2 HA PRO 2 -25.432 -8.701 -8.701 11 1HB PRO 2 1HB PRO 2 -23.166 -7.186 -7.186 12 2HB PRO 2 2HB PRO 2 -24.661 -8.059 -8.059 13 1HG PRO 2 1HG PRO 2 -22.104 -9.223 -9.223 14 2HG PRO 2 2HG PRO 2 -23.733 -10.130 -10.130 15 1HD PRO 2 1HD PRO 2 -21.551 -8.855 -8.855 16 2HD PRO 2 2HD PRO 2 -22.233 -10.568 -10.568 17 H ASP 3 H ASP 3 -25.654 -6.360 -6.360 18 HA ASP 3 HA ASP 3 -26.184 -4.544 -4.544 19 1HB ASP 3 1HB ASP 3 -26.817 -4.440 -4.440 20 2HB ASP 3 2HB ASP 3 -25.357 -3.484 -3.484 21 H VAL 4 H VAL 4 -24.818 -4.201 -4.201 22 HA VAL 4 HA VAL 4 -21.941 -3.651 -3.651 23 HB VAL 4 HB VAL 4 -23.231 -2.726 -2.726 24 1HG1 VAL 4 1HG2 VAL 4 -20.766 -4.558 -4.558 25 2HG1 VAL 4 2HG2 VAL 4 -21.367 -3.977 -3.977 26 3HG1 VAL 4 3HG2 VAL 4 -20.730 -2.827 -2.827 27 1HG2 VAL 4 2HG1 VAL 4 -24.585 -4.818 -4.818 28 2HG2 VAL 4 3HG1 VAL 4 -23.550 -5.004 -5.004 29 3HG2 VAL 4 1HG1 VAL 4 -23.084 -5.766 -5.766 30 H SER 5 H SER 5 -24.788 -1.726 -1.726 31 HA SER 5 HA SER 5 -23.591 0.803 0.803 32 1HB SER 5 1HB SER 5 -26.011 0.086 0.086 33 2HB SER 5 2HB SER 5 -25.520 1.768 1.768 34 HG SER 5 HG SER 5 -25.867 0.188 0.188 35 H SER 6 H SER 6 -23.977 -0.650 -0.650 36 HA SER 6 HA SER 6 -21.886 1.371 1.371 37 1HB SER 6 1HB SER 6 -24.021 -0.141 -0.141 38 2HB SER 6 2HB SER 6 -22.814 0.917 0.917 39 HG SER 6 HG SER 6 -25.150 1.603 1.603 40 H ALA 7 H ALA 7 -21.346 -1.039 -1.039 41 HA ALA 7 HA ALA 7 -19.876 -2.602 -2.602 42 1HB ALA 7 2HB ALA 7 -21.028 -3.852 -3.852 43 2HB ALA 7 3HB ALA 7 -20.050 -2.985 -2.985 44 3HB ALA 7 1HB ALA 7 -19.277 -4.126 -4.126 45 H LEU 8 H LEU 8 -19.340 -0.126 -0.126 46 HA LEU 8 HA LEU 8 -16.346 -0.324 -0.324 47 1HB LEU 8 1HB LEU 8 -18.024 0.848 0.848 48 2HB LEU 8 2HB LEU 8 -17.678 2.255 2.255 49 HG LEU 8 HG LEU 8 -16.053 0.986 0.986 50 1HD1 LEU 8 2HD1 LEU 8 -16.622 3.428 3.428 51 2HD1 LEU 8 3HD1 LEU 8 -15.655 3.586 3.586 52 3HD1 LEU 8 1HD1 LEU 8 -14.866 3.189 3.189 53 1HD2 LEU 8 2HD2 LEU 8 -14.602 1.358 1.358 54 2HD2 LEU 8 3HD2 LEU 8 -14.772 -0.157 -0.157 55 3HD2 LEU 8 1HD2 LEU 8 -13.787 1.156 1.156 56 H ASP 9 H ASP 9 -18.959 1.216 1.216 57 HA ASP 9 HA ASP 9 -17.523 3.153 3.153 58 1HB ASP 9 1HB ASP 9 -20.010 2.706 2.706 59 2HB ASP 9 2HB ASP 9 -19.659 1.149 1.149 60 H LYS 10 H LYS 10 -17.380 -0.311 -0.311 61 HA LYS 10 HA LYS 10 -15.994 -0.316 -0.316 62 1HB LYS 10 1HB LYS 10 -16.102 -2.437 -2.437 63 2HB LYS 10 2HB LYS 10 -15.395 -2.742 -2.742 64 1HG LYS 10 1HG LYS 10 -17.518 -2.737 -2.737 65 2HG LYS 10 2HG LYS 10 -18.252 -1.644 -1.644 66 1HD LYS 10 1HD LYS 10 -19.280 -3.807 -3.807 67 2HD LYS 10 2HD LYS 10 -18.185 -3.634 -3.634 68 1HE LYS 10 1HE LYS 10 -17.314 -5.689 -5.689 69 2HE LYS 10 2HE LYS 10 -16.416 -4.749 -4.749 70 1HZ LYS 10 3HZ LYS 10 -19.185 -5.549 -5.549 71 2HZ LYS 10 1HZ LYS 10 -17.946 -6.680 -6.680 72 3HZ LYS 10 2HZ LYS 10 -17.893 -5.266 -5.266 73 H LEU 11 H LEU 11 -14.969 -0.183 -0.183 74 HA LEU 11 HA LEU 11 -12.080 -0.475 -0.475 75 1HB LEU 11 1HB LEU 11 -13.371 0.267 0.267 76 2HB LEU 11 2HB LEU 11 -11.666 -0.065 -0.065 77 HG LEU 11 HG LEU 11 -13.044 -1.943 -1.943 78 1HD1 LEU 11 2HD1 LEU 11 -10.777 -2.335 -2.335 79 2HD1 LEU 11 3HD1 LEU 11 -11.513 -2.632 -2.632 80 3HD1 LEU 11 1HD1 LEU 11 -11.830 -3.741 -3.741 81 1HD2 LEU 11 2HD2 LEU 11 -14.168 -2.251 -2.251 82 2HD2 LEU 11 3HD2 LEU 11 -15.095 -1.886 -1.886 83 3HD2 LEU 11 1HD2 LEU 11 -14.327 -3.467 -3.467 84 H LYS 12 H LYS 12 -14.134 2.009 2.009 85 HA LYS 12 HA LYS 12 -12.051 4.102 4.102 86 1HB LYS 12 1HB LYS 12 -14.904 4.079 4.079 87 2HB LYS 12 2HB LYS 12 -14.285 4.961 4.961 88 1HG LYS 12 1HG LYS 12 -14.341 6.790 6.790 89 2HG LYS 12 2HG LYS 12 -12.787 6.175 6.175 90 1HD LYS 12 1HD LYS 12 -14.218 6.700 6.700 91 2HD LYS 12 2HD LYS 12 -14.037 4.936 4.936 92 1HE LYS 12 1HE LYS 12 -16.338 4.751 4.751 93 2HE LYS 12 2HE LYS 12 -16.290 5.435 5.435 94 1HZ LYS 12 3HZ LYS 12 -16.080 7.675 7.675 95 2HZ LYS 12 1HZ LYS 12 -16.815 6.791 6.791 96 3HZ LYS 12 2HZ LYS 12 -17.577 6.955 6.955 97 H GLU 13 H GLU 13 -10.603 2.646 2.646 98 HA GLU 13 HA GLU 13 -9.891 3.826 3.826 99 1HB GLU 13 1HB GLU 13 -12.167 3.279 3.279 100 2HB GLU 13 2HB GLU 13 -12.012 1.610 1.610 101 1HG GLU 13 1HG GLU 13 -11.579 1.314 1.314 102 2HG GLU 13 2HG GLU 13 -9.931 1.609 1.609 103 H PHE 14 H PHE 14 -10.570 0.377 0.377 104 HA PHE 14 HA PHE 14 -7.967 -0.623 -0.623 105 1HB PHE 14 1HB PHE 14 -9.792 -2.202 -2.202 106 2HB PHE 14 2HB PHE 14 -10.478 -1.627 -1.627 107 HD1 PHE 14 HD1 PHE 14 -7.114 -3.062 -3.062 108 HD2 PHE 14 HD2 PHE 14 -10.390 -3.182 -3.182 109 HE1 PHE 14 HE1 PHE 14 -6.118 -5.030 -5.030 110 HE2 PHE 14 HE2 PHE 14 -9.383 -5.152 -5.152 111 HZ PHE 14 HZ PHE 14 -7.265 -6.102 -6.102 112 H GLY 15 H GLY 15 -9.133 1.142 1.142 113 1HA GLY 15 1HA GLY 15 -6.833 0.108 0.108 114 2HA GLY 15 2HA GLY 15 -7.993 1.370 1.370 115 H ASN 16 H ASN 16 -7.850 3.126 3.126 116 HA ASN 16 HA ASN 16 -5.544 4.730 4.730 117 1HB ASN 16 1HB ASN 16 -7.367 5.765 5.765 118 2HB ASN 16 2HB ASN 16 -7.441 4.506 4.506 119 1HD2 ASN 16 1HD2 ASN 16 -5.823 6.879 6.879 120 2HD2 ASN 16 2HD2 ASN 16 -7.326 5.853 5.853 121 H THR 17 H THR 17 -5.844 2.047 2.047 122 HA THR 17 HA THR 17 -3.596 2.692 2.692 123 HB THR 17 HB THR 17 -4.512 -0.143 -0.143 124 HG1 THR 17 HG1 THR 17 -5.889 0.040 0.040 125 1HG2 THR 17 3HG2 THR 17 -3.265 0.796 0.796 126 2HG2 THR 17 1HG2 THR 17 -3.889 -0.838 -0.838 127 3HG2 THR 17 2HG2 THR 17 -2.463 -0.254 -0.254 128 H LEU 18 H LEU 18 -3.721 1.040 1.040 129 HA LEU 18 HA LEU 18 -0.884 0.275 0.275 130 1HB LEU 18 1HB LEU 18 -2.351 1.042 1.042 131 2HB LEU 18 2HB LEU 18 -1.166 -0.226 -0.226 132 HG LEU 18 HG LEU 18 -4.136 -0.249 -0.249 133 1HD1 LEU 18 3HD2 LEU 18 -3.397 -0.941 -0.941 134 2HD1 LEU 18 1HD2 LEU 18 -2.490 -2.280 -2.280 135 3HD1 LEU 18 2HD2 LEU 18 -4.266 -2.219 -2.219 136 1HD2 LEU 18 2HD1 LEU 18 -2.778 -1.190 -1.190 137 2HD2 LEU 18 3HD1 LEU 18 -3.791 -2.431 -2.431 138 3HD2 LEU 18 1HD1 LEU 18 -2.043 -2.366 -2.366 139 H GLU 19 H GLU 19 -2.568 3.181 3.181 140 HA GLU 19 HA GLU 19 0.078 4.291 4.291 141 1HB GLU 19 1HB GLU 19 -2.347 4.336 4.336 142 2HB GLU 19 2HB GLU 19 -2.665 5.684 5.684 143 1HG GLU 19 1HG GLU 19 -0.401 6.722 6.722 144 2HG GLU 19 2HG GLU 19 -0.645 5.539 5.539 145 H ASP 20 H ASP 20 -0.533 3.938 3.938 146 HA ASP 20 HA ASP 20 0.564 6.681 6.681 147 1HB ASP 20 1HB ASP 20 -2.158 5.951 5.951 148 2HB ASP 20 2HB ASP 20 -1.220 5.858 5.858 149 H LYS 21 H LYS 21 -0.392 3.615 3.615 150 HA LYS 21 HA LYS 21 1.797 3.470 3.470 151 1HB LYS 21 1HB LYS 21 0.523 1.595 1.595 152 2HB LYS 21 2HB LYS 21 -0.190 1.626 1.626 153 1HG LYS 21 1HG LYS 21 2.659 0.506 0.506 154 2HG LYS 21 2HG LYS 21 1.221 -0.491 -0.491 155 1HD LYS 21 1HD LYS 21 1.070 0.830 0.830 156 2HD LYS 21 2HD LYS 21 2.719 0.203 0.203 157 1HE LYS 21 1HE LYS 21 0.259 -1.542 -1.542 158 2HE LYS 21 2HE LYS 21 0.903 -1.489 -1.489 159 1HZ LYS 21 1HZ LYS 21 2.846 -1.879 -1.879 160 2HZ LYS 21 2HZ LYS 21 1.814 -3.159 -3.159 161 3HZ LYS 21 3HZ LYS 21 2.806 -2.524 -2.524 162 H ALA 22 H ALA 22 1.733 2.968 2.968 163 HA ALA 22 HA ALA 22 4.297 1.423 1.423 164 1HB ALA 22 2HB ALA 22 2.504 1.087 1.087 165 2HB ALA 22 3HB ALA 22 2.689 2.771 2.771 166 3HB ALA 22 1HB ALA 22 4.015 1.605 1.605 167 H ARG 23 H ARG 23 3.303 4.741 4.741 168 HA ARG 23 HA ARG 23 5.842 5.763 5.763 169 1HB ARG 23 1HB ARG 23 3.390 6.878 6.878 170 2HB ARG 23 2HB ARG 23 4.837 7.841 7.841 171 1HG ARG 23 1HG ARG 23 3.861 8.800 8.800 172 2HG ARG 23 2HG ARG 23 5.089 7.733 7.733 173 1HD ARG 23 1HD ARG 23 3.212 5.914 5.914 174 2HD ARG 23 2HD ARG 23 2.057 7.193 7.193 175 HE ARG 23 HE ARG 23 2.666 8.422 8.422 176 1HH1 ARG 23 2HH2 ARG 23 4.271 5.342 5.342 177 2HH1 ARG 23 1HH2 ARG 23 4.657 5.337 5.337 178 1HH2 ARG 23 1HH1 ARG 23 3.119 8.336 8.336 179 2HH2 ARG 23 2HH1 ARG 23 4.038 6.961 6.961 180 H GLU 24 H GLU 24 4.734 4.974 4.974 181 HA GLU 24 HA GLU 24 7.036 6.378 6.378 182 1HB GLU 24 1HB GLU 24 5.189 4.255 4.255 183 2HB GLU 24 2HB GLU 24 6.098 5.486 5.486 184 1HG GLU 24 1HG GLU 24 4.543 7.234 7.234 185 2HG GLU 24 2HG GLU 24 3.956 6.423 6.423 186 H LEU 25 H LEU 25 6.140 3.047 3.047 187 HA LEU 25 HA LEU 25 8.628 1.898 1.898 188 1HB LEU 25 1HB LEU 25 7.018 0.210 0.210 189 2HB LEU 25 2HB LEU 25 6.341 0.946 0.946 190 HG LEU 25 HG LEU 25 9.071 -0.460 -0.460 191 1HD1 LEU 25 2HD1 LEU 25 7.351 -2.073 -2.073 192 2HD1 LEU 25 3HD1 LEU 25 6.294 -1.743 -1.743 193 3HD1 LEU 25 1HD1 LEU 25 7.872 -2.534 -2.534 194 1HD2 LEU 25 2HD2 LEU 25 7.029 0.182 0.182 195 2HD2 LEU 25 3HD2 LEU 25 8.634 0.920 0.920 196 3HD2 LEU 25 1HD2 LEU 25 8.515 -0.785 -0.785 197 H ILE 26 H ILE 26 7.882 3.547 3.547 198 HA ILE 26 HA ILE 26 10.085 2.366 2.366 199 HB ILE 26 HB ILE 26 8.254 4.766 4.766 200 1HG1 ILE 26 1HG1 ILE 26 9.047 2.969 2.969 201 2HG1 ILE 26 2HG1 ILE 26 8.047 2.286 2.286 202 1HG2 ILE 26 2HG2 ILE 26 10.472 5.869 5.869 203 2HG2 ILE 26 3HG2 ILE 26 10.836 4.573 4.573 204 3HG2 ILE 26 1HG2 ILE 26 9.497 5.708 5.708 205 1HD1 ILE 26 2HD1 ILE 26 6.297 4.077 4.077 206 2HD1 ILE 26 3HD1 ILE 26 7.228 4.742 4.742 207 3HD1 ILE 26 1HD1 ILE 26 6.569 3.100 3.100 208 H SER 27 H SER 27 9.893 4.957 4.957 209 HA SER 27 HA SER 27 12.684 5.838 5.838 210 1HB SER 27 1HB SER 27 12.000 7.435 7.435 211 2HB SER 27 2HB SER 27 10.525 6.555 6.555 212 HG SER 27 HG SER 27 13.080 6.264 6.264 213 H ARG 28 H ARG 28 11.162 3.543 3.543 214 HA ARG 28 HA ARG 28 13.555 2.433 2.433 215 1HB ARG 28 1HB ARG 28 11.679 1.414 1.414 216 2HB ARG 28 2HB ARG 28 10.734 1.558 1.558 217 1HG ARG 28 1HG ARG 28 11.539 -0.575 -0.575 218 2HG ARG 28 2HG ARG 28 12.978 -0.556 -0.556 219 1HD ARG 28 1HD ARG 28 11.868 -1.825 -1.825 220 2HD ARG 28 2HD ARG 28 10.707 -0.498 -0.498 221 HE ARG 28 HE ARG 28 9.128 -1.742 -1.742 222 1HH1 ARG 28 2HH2 ARG 28 12.254 -2.679 -2.679 223 2HH1 ARG 28 1HH2 ARG 28 11.531 -3.921 -3.921 224 1HH2 ARG 28 1HH1 ARG 28 8.420 -3.110 -3.110 225 2HH2 ARG 28 2HH1 ARG 28 9.448 -4.158 -4.158 226 H ILE 29 H ILE 29 12.353 2.177 2.177 227 HA ILE 29 HA ILE 29 13.960 -0.322 -0.322 228 HB ILE 29 HB ILE 29 11.920 1.301 1.301 229 1HG1 ILE 29 1HG1 ILE 29 10.631 -0.466 -0.466 230 2HG1 ILE 29 2HG1 ILE 29 11.439 -1.362 -1.362 231 1HG2 ILE 29 2HG2 ILE 29 13.772 1.093 1.093 232 2HG2 ILE 29 3HG2 ILE 29 13.845 -0.665 -0.665 233 3HG2 ILE 29 1HG2 ILE 29 12.411 0.098 0.098 234 1HD1 ILE 29 2HD1 ILE 29 13.144 -2.275 -2.275 235 2HD1 ILE 29 3HD1 ILE 29 12.290 -1.470 -1.470 236 3HD1 ILE 29 1HD1 ILE 29 11.474 -2.732 -2.732 237 H LYS 30 H LYS 30 14.090 3.095 3.095 238 HA LYS 30 HA LYS 30 16.234 3.089 3.089 239 1HB LYS 30 1HB LYS 30 15.997 5.368 5.368 240 2HB LYS 30 2HB LYS 30 14.752 5.047 5.047 241 1HG LYS 30 1HG LYS 30 17.098 4.811 4.811 242 2HG LYS 30 2HG LYS 30 17.591 6.016 6.016 243 1HD LYS 30 1HD LYS 30 15.064 6.955 6.955 244 2HD LYS 30 2HD LYS 30 15.631 6.154 6.154 245 1HE LYS 30 1HE LYS 30 17.982 7.427 7.427 246 2HE LYS 30 2HE LYS 30 16.872 8.550 8.550 247 1HZ LYS 30 2HZ LYS 30 15.637 8.086 8.086 248 2HZ LYS 30 3HZ LYS 30 17.261 8.080 8.080 249 3HZ LYS 30 1HZ LYS 30 16.609 9.411 9.411 250 H GLN 31 H GLN 31 16.255 2.880 2.880 251 HA GLN 31 HA GLN 31 19.278 3.013 3.013 252 1HB GLN 31 1HB GLN 31 17.283 3.974 3.974 253 2HB GLN 31 2HB GLN 31 17.749 2.498 2.498 254 1HG GLN 31 1HG GLN 31 20.278 3.516 3.516 255 2HG GLN 31 2HG GLN 31 19.421 5.027 5.027 256 1HE2 GLN 31 2HE2 GLN 31 20.390 3.887 3.887 257 2HE2 GLN 31 1HE2 GLN 31 21.186 3.374 3.374 258 H SER 32 H SER 32 18.207 0.779 0.779 259 HA SER 32 HA SER 32 19.497 -1.398 -1.398 260 1HB SER 32 1HB SER 32 17.155 -0.962 -0.962 261 2HB SER 32 2HB SER 32 16.441 -1.758 -1.758 262 HG SER 32 HG SER 32 17.856 -2.798 -2.798 263 H GLU 33 H GLU 33 19.414 -0.177 -0.177 264 HA GLU 33 HA GLU 33 18.935 -2.800 -2.800 265 1HB GLU 33 1HB GLU 33 17.555 -0.171 -0.171 266 2HB GLU 33 2HB GLU 33 18.361 -0.543 -0.543 267 1HG GLU 33 1HG GLU 33 17.064 -2.978 -2.978 268 2HG GLU 33 2HG GLU 33 15.986 -1.952 -1.952 269 H LEU 34 H LEU 34 21.310 -1.148 -1.148 270 HA LEU 34 HA LEU 34 22.657 -0.459 -0.459 271 1HB LEU 34 1HB LEU 34 24.705 -0.151 -0.151 272 2HB LEU 34 2HB LEU 34 23.312 0.583 0.583 273 HG LEU 34 HG LEU 34 24.232 -2.244 -2.244 274 1HD1 LEU 34 2HD1 LEU 34 26.185 -0.685 -0.685 275 2HD1 LEU 34 3HD1 LEU 34 25.187 0.402 0.402 276 3HD1 LEU 34 1HD1 LEU 34 25.568 -1.241 -1.241 277 1HD2 LEU 34 2HD2 LEU 34 22.576 -0.158 -0.158 278 2HD2 LEU 34 3HD2 LEU 34 21.990 -1.688 -1.688 279 3HD2 LEU 34 1HD2 LEU 34 23.128 -1.725 -1.725 280 H SER 35 H SER 35 22.835 -3.219 -3.219 281 HA SER 35 HA SER 35 23.450 -4.898 -4.898 282 1HB SER 35 1HB SER 35 25.536 -5.393 -5.393 283 2HB SER 35 2HB SER 35 25.644 -5.685 -5.685 284 HG SER 35 HG SER 35 26.947 -3.965 -3.965 285 H ALA 36 H ALA 36 21.415 -4.454 -4.454 286 HA ALA 36 HA ALA 36 21.637 -6.000 -6.000 287 1HB ALA 36 2HB ALA 36 19.946 -4.169 -4.169 288 2HB ALA 36 3HB ALA 36 19.120 -5.145 -5.145 289 3HB ALA 36 1HB ALA 36 19.108 -5.662 -5.662 290 H LYS 37 H LYS 37 19.450 -6.735 -6.735 291 HA LYS 37 HA LYS 37 20.577 -9.555 -9.555 292 1HB LYS 37 1HB LYS 37 18.361 -9.220 -9.220 293 2HB LYS 37 2HB LYS 37 17.529 -9.262 -9.262 294 1HG LYS 37 1HG LYS 37 17.601 -11.567 -11.567 295 2HG LYS 37 2HG LYS 37 19.344 -11.480 -11.480 296 1HD LYS 37 1HD LYS 37 17.802 -11.534 -11.534 297 2HD LYS 37 2HD LYS 37 18.740 -12.865 -12.865 298 1HE LYS 37 1HE LYS 37 20.618 -10.732 -10.732 299 2HE LYS 37 2HE LYS 37 19.748 -10.439 -10.439 300 1HZ LYS 37 3HZ LYS 37 20.659 -13.166 -13.166 301 2HZ LYS 37 1HZ LYS 37 21.684 -12.061 -12.061 302 3HZ LYS 37 2HZ LYS 37 20.266 -12.542 -12.542 303 H MET 38 H MET 38 20.761 -7.217 -7.217 304 HA MET 38 HA MET 38 18.761 -7.621 -7.621 305 1HB MET 38 1HB MET 38 19.152 -5.318 -5.318 306 2HB MET 38 2HB MET 38 20.765 -5.532 -5.532 307 1HG MET 38 1HG MET 38 21.793 -5.243 -5.243 308 2HG MET 38 2HG MET 38 20.642 -6.311 -6.311 309 1HE MET 38 1HE MET 38 17.869 -5.201 -5.201 310 2HE MET 38 3HE MET 38 17.497 -3.998 -3.998 311 3HE MET 38 2HE MET 38 18.244 -5.564 -5.564 Start of MODEL 24 1 1H THR 1 3H THR 1 -21.317 -9.660 -9.660 2 2H THR 1 1H THR 1 -20.011 -8.625 -8.625 3 3H THR 1 2H THR 1 -19.775 -10.290 -10.290 4 HA THR 1 HA THR 1 -20.112 -10.532 -10.532 5 HB THR 1 HB THR 1 -18.099 -8.824 -8.824 6 HG1 THR 1 HG1 THR 1 -17.111 -9.296 -9.296 7 1HG2 THR 1 3HG2 THR 1 -19.253 -7.460 -7.460 8 2HG2 THR 1 1HG2 THR 1 -17.667 -7.113 -7.113 9 3HG2 THR 1 2HG2 THR 1 -19.140 -6.705 -6.705 10 HA PRO 2 HA PRO 2 -23.201 -8.540 -8.540 11 1HB PRO 2 1HB PRO 2 -20.958 -7.805 -7.805 12 2HB PRO 2 2HB PRO 2 -22.624 -8.633 -8.633 13 1HG PRO 2 1HG PRO 2 -20.233 -10.094 -10.094 14 2HG PRO 2 2HG PRO 2 -21.906 -10.627 -10.627 15 1HD PRO 2 1HD PRO 2 -19.382 -9.224 -9.224 16 2HD PRO 2 2HD PRO 2 -20.250 -10.714 -10.714 17 H ASP 3 H ASP 3 -23.377 -6.633 -6.633 18 HA ASP 3 HA ASP 3 -23.276 -4.194 -4.194 19 1HB ASP 3 1HB ASP 3 -24.863 -4.394 -4.394 20 2HB ASP 3 2HB ASP 3 -23.534 -4.628 -4.628 21 H VAL 4 H VAL 4 -21.492 -3.671 -3.671 22 HA VAL 4 HA VAL 4 -18.976 -3.686 -3.686 23 HB VAL 4 HB VAL 4 -19.208 -4.823 -4.823 24 1HG1 VAL 4 1HG2 VAL 4 -18.762 -1.944 -1.944 25 2HG1 VAL 4 2HG2 VAL 4 -18.605 -3.442 -3.442 26 3HG1 VAL 4 3HG2 VAL 4 -20.175 -2.976 -2.976 27 1HG2 VAL 4 2HG1 VAL 4 -16.949 -4.521 -4.521 28 2HG2 VAL 4 3HG1 VAL 4 -16.848 -4.395 -4.395 29 3HG2 VAL 4 1HG1 VAL 4 -16.786 -2.920 -2.920 30 H SER 5 H SER 5 -21.116 -1.552 -1.552 31 HA SER 5 HA SER 5 -19.428 0.815 0.815 32 1HB SER 5 1HB SER 5 -21.331 2.047 2.047 33 2HB SER 5 2HB SER 5 -21.862 0.449 0.449 34 HG SER 5 HG SER 5 -23.133 1.999 1.999 35 H SER 6 H SER 6 -21.628 -0.527 -0.527 36 HA SER 6 HA SER 6 -20.267 1.340 1.340 37 1HB SER 6 1HB SER 6 -23.133 0.325 0.325 38 2HB SER 6 2HB SER 6 -22.501 0.583 0.583 39 HG SER 6 HG SER 6 -23.194 2.395 2.395 40 H ALA 7 H ALA 7 -19.214 -1.107 -1.107 41 HA ALA 7 HA ALA 7 -19.308 -2.770 -2.770 42 1HB ALA 7 2HB ALA 7 -19.350 -3.946 -3.946 43 2HB ALA 7 3HB ALA 7 -17.801 -3.193 -3.193 44 3HB ALA 7 1HB ALA 7 -17.869 -4.378 -4.378 45 H LEU 8 H LEU 8 -17.365 -0.445 -0.445 46 HA LEU 8 HA LEU 8 -14.927 -0.809 -0.809 47 1HB LEU 8 1HB LEU 8 -15.572 0.827 0.827 48 2HB LEU 8 2HB LEU 8 -15.854 1.977 1.977 49 HG LEU 8 HG LEU 8 -13.526 1.898 1.898 50 1HD1 LEU 8 2HD1 LEU 8 -13.125 -0.563 -0.563 51 2HD1 LEU 8 3HD1 LEU 8 -13.095 -0.362 -0.362 52 3HD1 LEU 8 1HD1 LEU 8 -11.835 0.388 0.388 53 1HD2 LEU 8 2HD2 LEU 8 -13.681 2.058 2.058 54 2HD2 LEU 8 3HD2 LEU 8 -13.901 3.399 3.399 55 3HD2 LEU 8 1HD2 LEU 8 -12.313 2.643 2.643 56 H ASP 9 H ASP 9 -17.987 0.740 0.740 57 HA ASP 9 HA ASP 9 -17.228 2.374 2.374 58 1HB ASP 9 1HB ASP 9 -19.530 2.490 2.490 59 2HB ASP 9 2HB ASP 9 -19.877 0.856 0.856 60 H LYS 10 H LYS 10 -17.869 -1.042 -1.042 61 HA LYS 10 HA LYS 10 -18.304 -1.517 -1.517 62 1HB LYS 10 1HB LYS 10 -17.586 -3.124 -3.124 63 2HB LYS 10 2HB LYS 10 -16.743 -3.748 -3.748 64 1HG LYS 10 1HG LYS 10 -19.802 -3.411 -3.411 65 2HG LYS 10 2HG LYS 10 -18.903 -4.918 -4.918 66 1HD LYS 10 1HD LYS 10 -18.332 -4.184 -4.184 67 2HD LYS 10 2HD LYS 10 -19.358 -2.757 -2.757 68 1HE LYS 10 1HE LYS 10 -21.382 -4.044 -4.044 69 2HE LYS 10 2HE LYS 10 -20.529 -5.529 -5.529 70 1HZ LYS 10 3HZ LYS 10 -19.464 -5.099 -5.099 71 2HZ LYS 10 1HZ LYS 10 -20.970 -4.390 -4.390 72 3HZ LYS 10 2HZ LYS 10 -20.865 -5.996 -5.996 73 H LEU 11 H LEU 11 -15.287 -1.260 -1.260 74 HA LEU 11 HA LEU 11 -13.744 -1.364 -1.364 75 1HB LEU 11 1HB LEU 11 -12.906 -0.841 -0.841 76 2HB LEU 11 2HB LEU 11 -11.778 -0.681 -0.681 77 HG LEU 11 HG LEU 11 -11.753 -3.029 -3.029 78 1HD1 LEU 11 2HD1 LEU 11 -14.234 -3.423 -3.423 79 2HD1 LEU 11 3HD1 LEU 11 -14.234 -3.351 -3.351 80 3HD1 LEU 11 1HD1 LEU 11 -13.377 -4.663 -4.663 81 1HD2 LEU 11 2HD2 LEU 11 -11.944 -2.697 -2.697 82 2HD2 LEU 11 3HD2 LEU 11 -10.481 -2.537 -2.537 83 3HD2 LEU 11 1HD2 LEU 11 -11.254 -4.116 -4.116 84 H LYS 12 H LYS 12 -13.236 1.000 1.000 85 HA LYS 12 HA LYS 12 -12.737 3.315 3.315 86 1HB LYS 12 1HB LYS 12 -15.269 3.275 3.275 87 2HB LYS 12 2HB LYS 12 -14.945 3.167 3.167 88 1HG LYS 12 1HG LYS 12 -15.414 5.533 5.533 89 2HG LYS 12 2HG LYS 12 -13.722 5.404 5.404 90 1HD LYS 12 1HD LYS 12 -13.831 5.025 5.025 91 2HD LYS 12 2HD LYS 12 -14.956 6.346 6.346 92 1HE LYS 12 1HE LYS 12 -12.410 6.531 6.531 93 2HE LYS 12 2HE LYS 12 -12.120 6.618 6.618 94 1HZ LYS 12 2HZ LYS 12 -13.859 8.324 8.324 95 2HZ LYS 12 3HZ LYS 12 -14.065 8.281 8.281 96 3HZ LYS 12 1HZ LYS 12 -12.600 8.786 8.786 97 H GLU 13 H GLU 13 -13.679 3.196 3.196 98 HA GLU 13 HA GLU 13 -11.383 4.226 4.226 99 1HB GLU 13 1HB GLU 13 -13.653 3.008 3.008 100 2HB GLU 13 2HB GLU 13 -12.565 1.676 1.676 101 1HG GLU 13 1HG GLU 13 -12.454 2.724 2.724 102 2HG GLU 13 2HG GLU 13 -11.101 3.529 3.529 103 H PHE 14 H PHE 14 -11.720 0.702 0.702 104 HA PHE 14 HA PHE 14 -9.136 0.046 0.046 105 1HB PHE 14 1HB PHE 14 -10.517 -1.851 -1.851 106 2HB PHE 14 2HB PHE 14 -11.168 -1.357 -1.357 107 HD1 PHE 14 HD1 PHE 14 -9.746 -1.656 -1.656 108 HD2 PHE 14 HD2 PHE 14 -8.670 -3.420 -3.420 109 HE1 PHE 14 HE1 PHE 14 -8.300 -3.268 -3.268 110 HE2 PHE 14 HE2 PHE 14 -7.223 -5.033 -5.033 111 HZ PHE 14 HZ PHE 14 -7.024 -4.951 -4.951 112 H GLY 15 H GLY 15 -9.801 1.370 1.370 113 1HA GLY 15 1HA GLY 15 -7.188 0.302 0.302 114 2HA GLY 15 2HA GLY 15 -8.345 1.348 1.348 115 H ASN 16 H ASN 16 -8.691 3.386 3.386 116 HA ASN 16 HA ASN 16 -6.465 5.138 5.138 117 1HB ASN 16 1HB ASN 16 -8.506 6.160 6.160 118 2HB ASN 16 2HB ASN 16 -8.739 5.019 5.019 119 1HD2 ASN 16 1HD2 ASN 16 -7.620 7.617 7.617 120 2HD2 ASN 16 2HD2 ASN 16 -8.914 6.364 6.364 121 H THR 17 H THR 17 -6.984 2.763 2.763 122 HA THR 17 HA THR 17 -4.809 3.673 3.673 123 HB THR 17 HB THR 17 -6.067 0.877 0.877 124 HG1 THR 17 HG1 THR 17 -7.050 1.421 1.421 125 1HG2 THR 17 3HG2 THR 17 -4.216 1.749 1.749 126 2HG2 THR 17 1HG2 THR 17 -5.153 0.236 0.236 127 3HG2 THR 17 2HG2 THR 17 -3.829 0.497 0.497 128 H LEU 18 H LEU 18 -4.908 1.350 1.350 129 HA LEU 18 HA LEU 18 -2.077 0.662 0.662 130 1HB LEU 18 1HB LEU 18 -3.487 1.040 1.040 131 2HB LEU 18 2HB LEU 18 -2.341 -0.198 -0.198 132 HG LEU 18 HG LEU 18 -5.298 -0.040 -0.040 133 1HD1 LEU 18 3HD2 LEU 18 -4.776 -0.849 -0.849 134 2HD1 LEU 18 1HD2 LEU 18 -3.865 -2.196 -2.196 135 3HD1 LEU 18 2HD2 LEU 18 -5.618 -2.057 -2.057 136 1HD2 LEU 18 2HD1 LEU 18 -3.827 -0.963 -0.963 137 2HD2 LEU 18 3HD1 LEU 18 -4.944 -2.190 -2.190 138 3HD2 LEU 18 1HD1 LEU 18 -3.226 -2.208 -2.208 139 H GLU 19 H GLU 19 -3.725 3.482 3.482 140 HA GLU 19 HA GLU 19 -1.151 4.389 4.389 141 1HB GLU 19 1HB GLU 19 -3.659 4.468 4.468 142 2HB GLU 19 2HB GLU 19 -3.841 5.886 5.886 143 1HG GLU 19 1HG GLU 19 -1.553 6.642 6.642 144 2HG GLU 19 2HG GLU 19 -2.222 5.547 5.547 145 H ASP 20 H ASP 20 -1.500 4.265 4.265 146 HA ASP 20 HA ASP 20 -0.318 7.040 7.040 147 1HB ASP 20 1HB ASP 20 -2.867 6.608 6.608 148 2HB ASP 20 2HB ASP 20 -1.944 5.970 5.970 149 H LYS 21 H LYS 21 -0.840 3.896 3.896 150 HA LYS 21 HA LYS 21 1.640 4.043 4.043 151 1HB LYS 21 1HB LYS 21 0.531 2.241 2.241 152 2HB LYS 21 2HB LYS 21 -0.565 2.154 2.154 153 1HG LYS 21 1HG LYS 21 2.292 0.957 0.957 154 2HG LYS 21 2HG LYS 21 0.942 0.052 0.052 155 1HD LYS 21 1HD LYS 21 0.303 1.199 1.199 156 2HD LYS 21 2HD LYS 21 1.790 0.231 0.231 157 1HE LYS 21 1HE LYS 21 0.072 -1.330 -1.330 158 2HE LYS 21 2HE LYS 21 -1.038 -0.705 -0.705 159 1HZ LYS 21 2HZ LYS 21 0.986 -1.349 -1.349 160 2HZ LYS 21 3HZ LYS 21 1.276 -2.453 -2.453 161 3HZ LYS 21 1HZ LYS 21 -0.206 -2.452 -2.452 162 H ALA 22 H ALA 22 0.872 3.122 3.122 163 HA ALA 22 HA ALA 22 3.404 1.611 1.611 164 1HB ALA 22 2HB ALA 22 1.307 1.177 1.177 165 2HB ALA 22 3HB ALA 22 1.377 2.818 2.818 166 3HB ALA 22 1HB ALA 22 2.638 1.626 1.626 167 H ARG 23 H ARG 23 2.418 4.930 4.930 168 HA ARG 23 HA ARG 23 4.635 5.855 5.855 169 1HB ARG 23 1HB ARG 23 2.710 7.087 7.087 170 2HB ARG 23 2HB ARG 23 4.170 8.011 8.011 171 1HG ARG 23 1HG ARG 23 2.277 8.740 8.740 172 2HG ARG 23 2HG ARG 23 3.635 8.135 8.135 173 1HD ARG 23 1HD ARG 23 1.622 6.017 6.017 174 2HD ARG 23 2HD ARG 23 0.968 7.314 7.314 175 HE ARG 23 HE ARG 23 3.313 5.518 5.518 176 1HH1 ARG 23 2HH2 ARG 23 1.072 7.982 7.982 177 2HH1 ARG 23 1HH2 ARG 23 1.506 7.751 7.751 178 1HH2 ARG 23 1HH1 ARG 23 3.720 5.332 5.332 179 2HH2 ARG 23 2HH1 ARG 23 2.946 6.317 6.317 180 H GLU 24 H GLU 24 4.354 5.414 5.414 181 HA GLU 24 HA GLU 24 7.016 6.642 6.642 182 1HB GLU 24 1HB GLU 24 5.468 4.721 4.721 183 2HB GLU 24 2HB GLU 24 6.646 5.918 5.918 184 1HG GLU 24 1HG GLU 24 5.102 7.749 7.749 185 2HG GLU 24 2HG GLU 24 4.094 6.923 6.923 186 H LEU 25 H LEU 25 5.759 3.360 3.360 187 HA LEU 25 HA LEU 25 8.352 2.030 2.030 188 1HB LEU 25 1HB LEU 25 6.648 0.442 0.442 189 2HB LEU 25 2HB LEU 25 5.639 1.291 1.291 190 HG LEU 25 HG LEU 25 8.102 -0.117 -0.117 191 1HD1 LEU 25 2HD1 LEU 25 7.157 -1.769 -1.769 192 2HD1 LEU 25 3HD1 LEU 25 5.547 -1.625 -1.625 193 3HD1 LEU 25 1HD1 LEU 25 6.906 -2.317 -2.317 194 1HD2 LEU 25 2HD2 LEU 25 5.201 0.206 0.206 195 2HD2 LEU 25 3HD2 LEU 25 6.647 1.074 1.074 196 3HD2 LEU 25 1HD2 LEU 25 6.506 -0.664 -0.664 197 H ILE 26 H ILE 26 7.022 3.751 3.751 198 HA ILE 26 HA ILE 26 8.675 2.359 2.359 199 HB ILE 26 HB ILE 26 6.832 4.755 4.755 200 1HG1 ILE 26 1HG1 ILE 26 7.034 2.784 2.784 201 2HG1 ILE 26 2HG1 ILE 26 6.328 2.250 2.250 202 1HG2 ILE 26 2HG2 ILE 26 8.818 5.819 5.819 203 2HG2 ILE 26 3HG2 ILE 26 8.881 4.461 4.461 204 3HG2 ILE 26 1HG2 ILE 26 7.505 5.585 5.585 205 1HD1 ILE 26 2HD1 ILE 26 4.598 4.084 4.084 206 2HD1 ILE 26 3HD1 ILE 26 5.213 4.595 4.595 207 3HD1 ILE 26 1HD1 ILE 26 4.511 2.981 2.981 208 H SER 27 H SER 27 9.142 5.106 5.106 209 HA SER 27 HA SER 27 11.702 5.883 5.883 210 1HB SER 27 1HB SER 27 10.950 7.629 7.629 211 2HB SER 27 2HB SER 27 10.268 6.579 6.579 212 HG SER 27 HG SER 27 12.958 7.384 7.384 213 H ARG 28 H ARG 28 10.758 3.619 3.619 214 HA ARG 28 HA ARG 28 13.547 2.789 2.789 215 1HB ARG 28 1HB ARG 28 11.652 2.290 2.290 216 2HB ARG 28 2HB ARG 28 10.808 1.375 1.375 217 1HG ARG 28 1HG ARG 28 13.576 0.290 0.290 218 2HG ARG 28 2HG ARG 28 12.586 0.349 0.349 219 1HD ARG 28 1HD ARG 28 10.991 -1.199 -1.199 220 2HD ARG 28 2HD ARG 28 11.346 -0.789 -0.789 221 HE ARG 28 HE ARG 28 13.195 -2.278 -2.278 222 1HH1 ARG 28 2HH2 ARG 28 12.154 -1.814 -1.814 223 2HH1 ARG 28 1HH2 ARG 28 13.254 -3.159 -3.159 224 1HH2 ARG 28 1HH1 ARG 28 14.360 -3.716 -3.716 225 2HH2 ARG 28 2HH1 ARG 28 14.456 -4.197 -4.197 226 H ILE 29 H ILE 29 11.368 2.214 2.214 227 HA ILE 29 HA ILE 29 12.716 -0.385 -0.385 228 HB ILE 29 HB ILE 29 10.297 1.161 1.161 229 1HG1 ILE 29 1HG1 ILE 29 9.259 -0.452 -0.452 230 2HG1 ILE 29 2HG1 ILE 29 9.597 -1.526 -1.526 231 1HG2 ILE 29 2HG2 ILE 29 11.499 0.661 0.661 232 2HG2 ILE 29 3HG2 ILE 29 11.630 -1.056 -1.056 233 3HG2 ILE 29 1HG2 ILE 29 10.052 -0.306 -0.306 234 1HD1 ILE 29 2HD1 ILE 29 11.722 -2.343 -2.343 235 2HD1 ILE 29 3HD1 ILE 29 11.363 -1.349 -1.349 236 3HD1 ILE 29 1HD1 ILE 29 10.267 -2.662 -2.662 237 H LYS 30 H LYS 30 12.768 2.966 2.966 238 HA LYS 30 HA LYS 30 14.067 2.629 2.629 239 1HB LYS 30 1HB LYS 30 14.661 5.048 5.048 240 2HB LYS 30 2HB LYS 30 12.988 4.779 4.779 241 1HG LYS 30 1HG LYS 30 13.848 6.245 6.245 242 2HG LYS 30 2HG LYS 30 13.839 4.660 4.660 243 1HD LYS 30 1HD LYS 30 15.963 5.393 5.393 244 2HD LYS 30 2HD LYS 30 16.403 4.638 4.638 245 1HE LYS 30 1HE LYS 30 15.975 6.903 6.903 246 2HE LYS 30 2HE LYS 30 15.737 7.648 7.648 247 1HZ LYS 30 2HZ LYS 30 18.158 6.031 6.031 248 2HZ LYS 30 3HZ LYS 30 18.078 7.596 7.596 249 3HZ LYS 30 1HZ LYS 30 17.913 7.329 7.329 250 H GLN 31 H GLN 31 15.216 2.731 2.731 251 HA GLN 31 HA GLN 31 18.073 2.935 2.935 252 1HB GLN 31 1HB GLN 31 16.665 3.996 3.996 253 2HB GLN 31 2HB GLN 31 17.454 2.615 2.615 254 1HG GLN 31 1HG GLN 31 19.671 3.707 3.707 255 2HG GLN 31 2HG GLN 31 18.709 5.161 5.161 256 1HE2 GLN 31 2HE2 GLN 31 19.321 5.351 5.351 257 2HE2 GLN 31 1HE2 GLN 31 18.070 5.760 5.760 258 H SER 32 H SER 32 16.656 0.552 0.552 259 HA SER 32 HA SER 32 18.615 -1.382 -1.382 260 1HB SER 32 1HB SER 32 15.711 -2.099 -2.099 261 2HB SER 32 2HB SER 32 17.171 -2.734 -2.734 262 HG SER 32 HG SER 32 15.959 -0.180 -0.180 263 H GLU 33 H GLU 33 17.663 -0.395 -0.395 264 HA GLU 33 HA GLU 33 16.807 -3.109 -3.109 265 1HB GLU 33 1HB GLU 33 15.424 -0.484 -0.484 266 2HB GLU 33 2HB GLU 33 15.751 -0.958 -0.958 267 1HG GLU 33 1HG GLU 33 14.634 -3.340 -3.340 268 2HG GLU 33 2HG GLU 33 13.865 -2.239 -2.239 269 H LEU 34 H LEU 34 19.413 -1.774 -1.774 270 HA LEU 34 HA LEU 34 20.210 -0.919 -0.919 271 1HB LEU 34 1HB LEU 34 22.560 -1.550 -1.550 272 2HB LEU 34 2HB LEU 34 21.741 -0.478 -0.478 273 HG LEU 34 HG LEU 34 21.701 -3.478 -3.478 274 1HD1 LEU 34 2HD1 LEU 34 24.089 -2.950 -2.950 275 2HD1 LEU 34 3HD1 LEU 34 24.104 -1.612 -1.612 276 3HD1 LEU 34 1HD1 LEU 34 23.921 -3.293 -3.293 277 1HD2 LEU 34 2HD2 LEU 34 21.806 -0.976 -0.976 278 2HD2 LEU 34 3HD2 LEU 34 20.404 -2.039 -2.039 279 3HD2 LEU 34 1HD2 LEU 34 21.818 -2.666 -2.666 280 H SER 35 H SER 35 19.664 -4.045 -4.045 281 HA SER 35 HA SER 35 19.989 -6.216 -6.216 282 1HB SER 35 1HB SER 35 19.052 -4.543 -4.543 283 2HB SER 35 2HB SER 35 19.783 -6.074 -6.074 284 HG SER 35 HG SER 35 17.344 -5.628 -5.628 285 H ALA 36 H ALA 36 22.253 -4.446 -4.446 286 HA ALA 36 HA ALA 36 24.276 -4.896 -4.896 287 1HB ALA 36 2HB ALA 36 24.567 -3.398 -3.398 288 2HB ALA 36 3HB ALA 36 24.576 -4.812 -4.812 289 3HB ALA 36 1HB ALA 36 25.901 -4.565 -4.565 290 H LYS 37 H LYS 37 23.816 -6.784 -6.784 291 HA LYS 37 HA LYS 37 25.026 -9.152 -9.152 292 1HB LYS 37 1HB LYS 37 25.877 -9.984 -9.984 293 2HB LYS 37 2HB LYS 37 26.425 -8.330 -8.330 294 1HG LYS 37 1HG LYS 37 24.863 -7.449 -7.449 295 2HG LYS 37 2HG LYS 37 23.826 -8.871 -8.871 296 1HD LYS 37 1HD LYS 37 25.265 -10.111 -10.111 297 2HD LYS 37 2HD LYS 37 26.707 -9.185 -9.185 298 1HE LYS 37 1HE LYS 37 26.207 -7.362 -7.362 299 2HE LYS 37 2HE LYS 37 24.455 -7.581 -7.581 300 1HZ LYS 37 1HZ LYS 37 25.845 -9.823 -9.823 301 2HZ LYS 37 2HZ LYS 37 25.934 -8.391 -8.391 302 3HZ LYS 37 3HZ LYS 37 24.435 -9.039 -9.039 303 H MET 38 H MET 38 22.539 -8.068 -8.068 304 HA MET 38 HA MET 38 21.455 -10.804 -10.804 305 1HB MET 38 1HB MET 38 20.695 -9.562 -9.562 306 2HB MET 38 2HB MET 38 20.916 -8.041 -8.041 307 1HG MET 38 1HG MET 38 18.597 -7.987 -7.987 308 2HG MET 38 2HG MET 38 18.643 -8.654 -8.654 309 1HE MET 38 2HE MET 38 16.376 -9.416 -9.416 310 2HE MET 38 1HE MET 38 15.743 -10.756 -10.756 311 3HE MET 38 3HE MET 38 16.020 -9.141 -9.141 Start of MODEL 25 1 1H THR 1 3H THR 1 -24.854 -8.315 -8.315 2 2H THR 1 1H THR 1 -23.444 -7.422 -7.422 3 3H THR 1 2H THR 1 -23.371 -9.100 -9.100 4 HA THR 1 HA THR 1 -23.839 -9.183 -9.183 5 HB THR 1 HB THR 1 -21.631 -7.702 -7.702 6 HG1 THR 1 HG1 THR 1 -20.767 -8.210 -8.210 7 1HG2 THR 1 3HG2 THR 1 -22.753 -6.175 -6.175 8 2HG2 THR 1 1HG2 THR 1 -21.115 -5.991 -5.991 9 3HG2 THR 1 2HG2 THR 1 -22.511 -5.475 -5.475 10 HA PRO 2 HA PRO 2 -26.787 -6.732 -6.732 11 1HB PRO 2 1HB PRO 2 -24.522 -6.059 -6.059 12 2HB PRO 2 2HB PRO 2 -26.269 -6.688 -6.688 13 1HG PRO 2 1HG PRO 2 -24.035 -8.388 -8.388 14 2HG PRO 2 2HG PRO 2 -25.737 -8.809 -8.809 15 1HD PRO 2 1HD PRO 2 -23.060 -7.763 -7.763 16 2HD PRO 2 2HD PRO 2 -24.064 -9.204 -9.204 17 H ASP 3 H ASP 3 -26.854 -4.683 -4.683 18 HA ASP 3 HA ASP 3 -26.641 -2.390 -2.390 19 1HB ASP 3 1HB ASP 3 -27.919 -2.054 -2.054 20 2HB ASP 3 2HB ASP 3 -26.682 -2.773 -2.773 21 H VAL 4 H VAL 4 -24.992 -2.056 -2.056 22 HA VAL 4 HA VAL 4 -22.290 -1.747 -1.747 23 HB VAL 4 HB VAL 4 -22.772 -3.189 -3.189 24 1HG1 VAL 4 1HG2 VAL 4 -22.336 -0.437 -0.437 25 2HG1 VAL 4 2HG2 VAL 4 -22.271 -2.021 -2.021 26 3HG1 VAL 4 3HG2 VAL 4 -23.788 -1.457 -1.457 27 1HG2 VAL 4 2HG1 VAL 4 -20.441 -2.844 -2.844 28 2HG2 VAL 4 3HG1 VAL 4 -20.450 -2.888 -2.888 29 3HG2 VAL 4 1HG1 VAL 4 -20.293 -1.327 -1.327 30 H SER 5 H SER 5 -24.390 0.121 0.121 31 HA SER 5 HA SER 5 -23.020 2.532 2.532 32 1HB SER 5 1HB SER 5 -25.873 1.991 1.991 33 2HB SER 5 2HB SER 5 -25.309 3.591 3.591 34 HG SER 5 HG SER 5 -25.951 3.898 3.898 35 H SER 6 H SER 6 -23.978 1.005 1.005 36 HA SER 6 HA SER 6 -21.835 2.749 2.749 37 1HB SER 6 1HB SER 6 -24.664 2.198 2.198 38 2HB SER 6 2HB SER 6 -23.367 2.526 2.526 39 HG SER 6 HG SER 6 -22.992 4.474 4.474 40 H ALA 7 H ALA 7 -21.491 0.309 0.309 41 HA ALA 7 HA ALA 7 -21.104 -1.486 -1.486 42 1HB ALA 7 2HB ALA 7 -22.168 -2.525 -2.525 43 2HB ALA 7 3HB ALA 7 -20.766 -2.061 -2.061 44 3HB ALA 7 1HB ALA 7 -20.587 -3.273 -3.273 45 H LEU 8 H LEU 8 -19.439 0.581 0.581 46 HA LEU 8 HA LEU 8 -16.728 -0.373 -0.373 47 1HB LEU 8 1HB LEU 8 -17.335 1.179 1.179 48 2HB LEU 8 2HB LEU 8 -17.605 2.472 2.472 49 HG LEU 8 HG LEU 8 -14.886 1.070 1.070 50 1HD1 LEU 8 2HD1 LEU 8 -15.473 1.772 1.772 51 2HD1 LEU 8 3HD1 LEU 8 -15.811 3.429 3.429 52 3HD1 LEU 8 1HD1 LEU 8 -14.160 2.771 2.771 53 1HD2 LEU 8 2HD2 LEU 8 -15.733 3.926 3.926 54 2HD2 LEU 8 3HD2 LEU 8 -15.171 2.612 2.612 55 3HD2 LEU 8 1HD2 LEU 8 -14.048 3.342 3.342 56 H ASP 9 H ASP 9 -19.011 1.857 1.857 57 HA ASP 9 HA ASP 9 -17.334 2.998 2.998 58 1HB ASP 9 1HB ASP 9 -19.753 3.667 3.667 59 2HB ASP 9 2HB ASP 9 -20.280 2.061 2.061 60 H LYS 10 H LYS 10 -18.691 -0.192 -0.192 61 HA LYS 10 HA LYS 10 -18.397 -0.984 -0.984 62 1HB LYS 10 1HB LYS 10 -18.121 -2.673 -2.673 63 2HB LYS 10 2HB LYS 10 -18.206 -3.385 -3.385 64 1HG LYS 10 1HG LYS 10 -20.420 -1.433 -1.433 65 2HG LYS 10 2HG LYS 10 -20.423 -3.083 -3.083 66 1HD LYS 10 1HD LYS 10 -20.521 -3.920 -3.920 67 2HD LYS 10 2HD LYS 10 -20.459 -2.245 -2.245 68 1HE LYS 10 1HE LYS 10 -22.591 -1.663 -1.663 69 2HE LYS 10 2HE LYS 10 -22.637 -3.207 -3.207 70 1HZ LYS 10 1HZ LYS 10 -22.421 -4.094 -4.094 71 2HZ LYS 10 2HZ LYS 10 -23.228 -2.649 -2.649 72 3HZ LYS 10 3HZ LYS 10 -23.895 -3.784 -3.784 73 H LEU 11 H LEU 11 -16.074 -1.017 -1.017 74 HA LEU 11 HA LEU 11 -13.907 -1.989 -1.989 75 1HB LEU 11 1HB LEU 11 -13.534 -0.650 -0.650 76 2HB LEU 11 2HB LEU 11 -12.369 -1.634 -1.634 77 HG LEU 11 HG LEU 11 -15.011 -2.646 -2.646 78 1HD1 LEU 11 2HD1 LEU 11 -13.311 -1.968 -1.968 79 2HD1 LEU 11 3HD1 LEU 11 -12.089 -3.015 -3.015 80 3HD1 LEU 11 1HD1 LEU 11 -13.536 -3.726 -3.726 81 1HD2 LEU 11 2HD2 LEU 11 -12.721 -4.242 -4.242 82 2HD2 LEU 11 3HD2 LEU 11 -14.401 -4.091 -4.091 83 3HD2 LEU 11 1HD2 LEU 11 -14.066 -4.967 -4.967 84 H LYS 12 H LYS 12 -14.038 0.983 0.983 85 HA LYS 12 HA LYS 12 -12.749 2.950 2.950 86 1HB LYS 12 1HB LYS 12 -14.933 3.398 3.398 87 2HB LYS 12 2HB LYS 12 -14.363 2.645 2.645 88 1HG LYS 12 1HG LYS 12 -13.999 4.934 4.934 89 2HG LYS 12 2HG LYS 12 -12.409 4.498 4.498 90 1HD LYS 12 1HD LYS 12 -13.820 5.324 5.324 91 2HD LYS 12 2HD LYS 12 -14.504 6.363 6.363 92 1HE LYS 12 1HE LYS 12 -12.534 7.562 7.562 93 2HE LYS 12 2HE LYS 12 -11.535 6.101 6.101 94 1HZ LYS 12 1HZ LYS 12 -12.179 6.044 6.044 95 2HZ LYS 12 2HZ LYS 12 -12.360 7.699 7.699 96 3HZ LYS 12 3HZ LYS 12 -10.888 6.959 6.959 97 H GLU 13 H GLU 13 -12.676 2.396 2.396 98 HA GLU 13 HA GLU 13 -9.968 2.736 2.736 99 1HB GLU 13 1HB GLU 13 -12.099 1.799 1.799 100 2HB GLU 13 2HB GLU 13 -11.306 0.259 0.259 101 1HG GLU 13 1HG GLU 13 -10.824 1.634 1.634 102 2HG GLU 13 2HG GLU 13 -9.486 0.813 0.813 103 H PHE 14 H PHE 14 -11.075 -0.626 -0.626 104 HA PHE 14 HA PHE 14 -8.588 -1.850 -1.850 105 1HB PHE 14 1HB PHE 14 -10.368 -3.400 -3.400 106 2HB PHE 14 2HB PHE 14 -11.258 -2.545 -2.545 107 HD1 PHE 14 HD2 PHE 14 -8.003 -4.480 -4.480 108 HD2 PHE 14 HD1 PHE 14 -11.417 -3.508 -3.508 109 HE1 PHE 14 HE2 PHE 14 -7.289 -6.131 -6.131 110 HE2 PHE 14 HE1 PHE 14 -10.704 -5.163 -5.163 111 HZ PHE 14 HZ PHE 14 -8.642 -6.484 -6.484 112 H GLY 15 H GLY 15 -9.723 0.091 0.091 113 1HA GLY 15 1HA GLY 15 -7.729 -1.213 -1.213 114 2HA GLY 15 2HA GLY 15 -8.853 0.101 0.101 115 H ASN 16 H ASN 16 -8.383 1.869 1.869 116 HA ASN 16 HA ASN 16 -5.957 3.261 3.261 117 1HB ASN 16 1HB ASN 16 -7.755 4.352 4.352 118 2HB ASN 16 2HB ASN 16 -7.609 3.207 3.207 119 1HD2 ASN 16 1HD2 ASN 16 -5.861 5.984 5.984 120 2HD2 ASN 16 2HD2 ASN 16 -7.470 5.081 5.081 121 H THR 17 H THR 17 -6.414 0.547 0.547 122 HA THR 17 HA THR 17 -4.084 0.867 0.867 123 HB THR 17 HB THR 17 -5.396 -1.719 -1.719 124 HG1 THR 17 HG1 THR 17 -6.339 -1.701 -1.701 125 1HG2 THR 17 3HG2 THR 17 -3.497 -1.476 -1.476 126 2HG2 THR 17 1HG2 THR 17 -4.439 -2.922 -2.922 127 3HG2 THR 17 2HG2 THR 17 -3.137 -2.375 -2.375 128 H LEU 18 H LEU 18 -4.343 -0.218 -0.218 129 HA LEU 18 HA LEU 18 -1.487 -1.082 -1.082 130 1HB LEU 18 1HB LEU 18 -2.935 -0.167 -0.167 131 2HB LEU 18 2HB LEU 18 -1.857 -1.531 -1.531 132 HG LEU 18 HG LEU 18 -4.845 -1.341 -1.341 133 1HD1 LEU 18 2HD1 LEU 18 -4.090 -2.058 -2.058 134 2HD1 LEU 18 3HD1 LEU 18 -3.133 -3.383 -3.383 135 3HD1 LEU 18 1HD1 LEU 18 -4.908 -3.387 -3.387 136 1HD2 LEU 18 2HD2 LEU 18 -2.953 -3.539 -3.539 137 2HD2 LEU 18 3HD2 LEU 18 -3.948 -2.410 -2.410 138 3HD2 LEU 18 1HD2 LEU 18 -4.735 -3.647 -3.647 139 H GLU 19 H GLU 19 -3.267 1.829 1.829 140 HA GLU 19 HA GLU 19 -0.626 3.138 3.138 141 1HB GLU 19 1HB GLU 19 -2.982 3.290 3.290 142 2HB GLU 19 2HB GLU 19 -3.420 4.434 4.434 143 1HG GLU 19 1HG GLU 19 -2.704 5.798 5.798 144 2HG GLU 19 2HG GLU 19 -1.368 5.889 5.889 145 H ASP 20 H ASP 20 -1.316 2.378 2.378 146 HA ASP 20 HA ASP 20 -0.425 5.084 5.084 147 1HB ASP 20 1HB ASP 20 -2.991 4.414 4.414 148 2HB ASP 20 2HB ASP 20 -2.265 3.313 3.313 149 H LYS 21 H LYS 21 -0.774 1.636 1.636 150 HA LYS 21 HA LYS 21 1.478 1.577 1.577 151 1HB LYS 21 1HB LYS 21 0.362 -0.409 -0.409 152 2HB LYS 21 2HB LYS 21 -0.479 -0.308 -0.308 153 1HG LYS 21 1HG LYS 21 2.459 -1.287 -1.287 154 2HG LYS 21 2HG LYS 21 1.088 -2.377 -2.377 155 1HD LYS 21 1HD LYS 21 1.007 -0.680 -0.680 156 2HD LYS 21 2HD LYS 21 2.443 -1.717 -1.717 157 1HE LYS 21 1HE LYS 21 -0.009 -3.189 -3.189 158 2HE LYS 21 2HE LYS 21 -0.192 -2.579 -2.579 159 1HZ LYS 21 2HZ LYS 21 2.321 -3.469 -3.469 160 2HZ LYS 21 3HZ LYS 21 1.682 -4.540 -4.540 161 3HZ LYS 21 1HZ LYS 21 0.981 -4.404 -4.404 162 H ALA 22 H ALA 22 1.152 1.218 1.218 163 HA ALA 22 HA ALA 22 3.960 0.284 0.284 164 1HB ALA 22 2HB ALA 22 2.128 -0.139 -0.139 165 2HB ALA 22 3HB ALA 22 1.941 1.610 1.610 166 3HB ALA 22 1HB ALA 22 3.444 0.786 0.786 167 H ARG 23 H ARG 23 2.310 3.339 3.339 168 HA ARG 23 HA ARG 23 4.365 5.161 5.161 169 1HB ARG 23 1HB ARG 23 2.436 5.237 5.237 170 2HB ARG 23 2HB ARG 23 3.441 6.606 6.606 171 1HG ARG 23 1HG ARG 23 1.904 5.527 5.527 172 2HG ARG 23 2HG ARG 23 0.845 5.981 5.981 173 1HD ARG 23 1HD ARG 23 1.222 7.888 7.888 174 2HD ARG 23 2HD ARG 23 1.831 8.281 8.281 175 HE ARG 23 HE ARG 23 4.152 7.861 7.861 176 1HH1 ARG 23 2HH2 ARG 23 1.820 7.735 7.735 177 2HH1 ARG 23 1HH2 ARG 23 3.120 7.983 7.983 178 1HH2 ARG 23 1HH1 ARG 23 5.489 8.124 8.124 179 2HH2 ARG 23 2HH1 ARG 23 5.115 8.191 8.191 180 H GLU 24 H GLU 24 3.963 3.782 3.782 181 HA GLU 24 HA GLU 24 6.444 5.125 5.125 182 1HB GLU 24 1HB GLU 24 5.009 2.743 2.743 183 2HB GLU 24 2HB GLU 24 6.011 3.940 3.940 184 1HG GLU 24 1HG GLU 24 4.284 5.616 5.616 185 2HG GLU 24 2HG GLU 24 3.453 4.927 4.927 186 H LEU 25 H LEU 25 5.581 1.828 1.828 187 HA LEU 25 HA LEU 25 8.221 0.671 0.671 188 1HB LEU 25 1HB LEU 25 6.638 -1.010 -1.010 189 2HB LEU 25 2HB LEU 25 5.788 -0.078 -0.078 190 HG LEU 25 HG LEU 25 8.539 -1.182 -1.182 191 1HD1 LEU 25 2HD1 LEU 25 7.362 -3.097 -3.097 192 2HD1 LEU 25 3HD1 LEU 25 5.953 -2.888 -2.888 193 3HD1 LEU 25 1HD1 LEU 25 7.525 -3.387 -3.387 194 1HD2 LEU 25 2HD2 LEU 25 5.929 -0.790 -0.790 195 2HD2 LEU 25 3HD2 LEU 25 7.406 0.200 0.200 196 3HD2 LEU 25 1HD2 LEU 25 7.444 -1.478 -1.478 197 H ILE 26 H ILE 26 7.097 2.737 2.737 198 HA ILE 26 HA ILE 26 9.258 1.983 1.983 199 HB ILE 26 HB ILE 26 7.048 4.025 4.025 200 1HG1 ILE 26 1HG1 ILE 26 8.025 2.831 2.831 201 2HG1 ILE 26 2HG1 ILE 26 7.310 1.740 1.740 202 1HG2 ILE 26 2HG2 ILE 26 8.969 5.630 5.630 203 2HG2 ILE 26 3HG2 ILE 26 9.514 4.624 4.624 204 3HG2 ILE 26 1HG2 ILE 26 7.964 5.490 5.490 205 1HD1 ILE 26 2HD1 ILE 26 5.188 3.098 3.098 206 2HD1 ILE 26 3HD1 ILE 26 5.830 4.173 4.173 207 3HD1 ILE 26 1HD1 ILE 26 5.546 2.460 2.460 208 H SER 27 H SER 27 8.884 4.365 4.365 209 HA SER 27 HA SER 27 11.457 5.696 5.696 210 1HB SER 27 1HB SER 27 10.957 7.041 7.041 211 2HB SER 27 2HB SER 27 9.368 6.298 6.298 212 HG SER 27 HG SER 27 10.771 6.325 6.325 213 H ARG 28 H ARG 28 10.495 2.994 2.994 214 HA ARG 28 HA ARG 28 13.208 2.416 2.416 215 1HB ARG 28 1HB ARG 28 11.445 1.294 1.294 216 2HB ARG 28 2HB ARG 28 10.575 0.885 0.885 217 1HG ARG 28 1HG ARG 28 12.755 -0.728 -0.728 218 2HG ARG 28 2HG ARG 28 12.973 -0.539 -0.539 219 1HD ARG 28 1HD ARG 28 10.349 -1.501 -1.501 220 2HD ARG 28 2HD ARG 28 11.604 -2.581 -2.581 221 HE ARG 28 HE ARG 28 10.845 -0.535 -0.535 222 1HH1 ARG 28 2HH2 ARG 28 9.727 -3.535 -3.535 223 2HH1 ARG 28 1HH2 ARG 28 8.753 -3.941 -3.941 224 1HH2 ARG 28 1HH1 ARG 28 9.769 -1.040 -1.040 225 2HH2 ARG 28 2HH1 ARG 28 8.772 -2.589 -2.589 226 H ILE 29 H ILE 29 11.615 1.877 1.877 227 HA ILE 29 HA ILE 29 13.433 -0.391 -0.391 228 HB ILE 29 HB ILE 29 11.122 1.063 1.063 229 1HG1 ILE 29 1HG1 ILE 29 10.061 -0.831 -0.831 230 2HG1 ILE 29 2HG1 ILE 29 10.842 -1.625 -1.625 231 1HG2 ILE 29 2HG2 ILE 29 12.816 1.070 1.070 232 2HG2 ILE 29 3HG2 ILE 29 13.078 -0.678 -0.678 233 3HG2 ILE 29 1HG2 ILE 29 11.519 -0.041 -0.041 234 1HD1 ILE 29 2HD1 ILE 29 12.754 -2.395 -2.395 235 2HD1 ILE 29 3HD1 ILE 29 11.943 -1.698 -1.698 236 3HD1 ILE 29 1HD1 ILE 29 11.174 -3.017 -3.017 237 H LYS 30 H LYS 30 13.224 3.034 3.034 238 HA LYS 30 HA LYS 30 15.259 3.220 3.220 239 1HB LYS 30 1HB LYS 30 14.905 5.483 5.483 240 2HB LYS 30 2HB LYS 30 13.678 5.040 5.040 241 1HG LYS 30 1HG LYS 30 16.202 4.966 4.966 242 2HG LYS 30 2HG LYS 30 16.285 6.395 6.395 243 1HD LYS 30 1HD LYS 30 14.170 7.247 7.247 244 2HD LYS 30 2HD LYS 30 13.963 5.728 5.728 245 1HE LYS 30 1HE LYS 30 15.036 7.224 7.224 246 2HE LYS 30 2HE LYS 30 16.328 6.137 6.137 247 1HZ LYS 30 3HZ LYS 30 16.576 7.982 7.982 248 2HZ LYS 30 1HZ LYS 30 15.904 8.952 8.952 249 3HZ LYS 30 2HZ LYS 30 17.329 8.110 8.110 250 H GLN 31 H GLN 31 15.464 2.782 2.782 251 HA GLN 31 HA GLN 31 18.449 3.285 3.285 252 1HB GLN 31 1HB GLN 31 16.424 3.836 3.836 253 2HB GLN 31 2HB GLN 31 17.120 2.370 2.370 254 1HG GLN 31 1HG GLN 31 19.477 3.710 3.710 255 2HG GLN 31 2HG GLN 31 18.452 5.122 5.122 256 1HE2 GLN 31 2HE2 GLN 31 19.297 3.448 3.448 257 2HE2 GLN 31 1HE2 GLN 31 19.885 2.717 2.717 258 H SER 32 H SER 32 17.660 1.098 1.098 259 HA SER 32 HA SER 32 19.575 -0.835 -0.835 260 1HB SER 32 1HB SER 32 17.182 -1.078 -1.078 261 2HB SER 32 2HB SER 32 16.889 -2.236 -2.236 262 HG SER 32 HG SER 32 19.209 -2.936 -2.936 263 H GLU 33 H GLU 33 19.478 0.331 0.331 264 HA GLU 33 HA GLU 33 18.445 -1.874 -1.874 265 1HB GLU 33 1HB GLU 33 17.767 1.003 1.003 266 2HB GLU 33 2HB GLU 33 18.492 0.687 0.687 267 1HG GLU 33 1HG GLU 33 16.547 -1.421 -1.421 268 2HG GLU 33 2HG GLU 33 15.761 -0.035 -0.035 269 H LEU 34 H LEU 34 21.087 -1.362 -1.362 270 HA LEU 34 HA LEU 34 22.725 -0.738 -0.738 271 1HB LEU 34 1HB LEU 34 24.695 -1.416 -1.416 272 2HB LEU 34 2HB LEU 34 23.726 -0.160 -0.160 273 HG LEU 34 HG LEU 34 23.063 -2.987 -2.987 274 1HD1 LEU 34 2HD1 LEU 34 25.574 -3.065 -3.065 275 2HD1 LEU 34 3HD1 LEU 34 25.696 -1.610 -1.610 276 3HD1 LEU 34 1HD1 LEU 34 25.030 -3.121 -3.121 277 1HD2 LEU 34 2HD2 LEU 34 23.436 -0.334 -0.334 278 2HD2 LEU 34 3HD2 LEU 34 21.893 -1.106 -1.106 279 3HD2 LEU 34 1HD2 LEU 34 22.955 -1.891 -1.891 280 H SER 35 H SER 35 21.523 -3.536 -3.536 281 HA SER 35 HA SER 35 21.827 -5.850 -5.850 282 1HB SER 35 1HB SER 35 21.281 -6.539 -6.539 283 2HB SER 35 2HB SER 35 20.816 -4.855 -4.855 284 HG SER 35 HG SER 35 22.620 -6.216 -6.216 285 H ALA 36 H ALA 36 24.070 -4.175 -4.175 286 HA ALA 36 HA ALA 36 26.330 -5.316 -5.316 287 1HB ALA 36 2HB ALA 36 26.324 -2.853 -2.853 288 2HB ALA 36 3HB ALA 36 26.322 -3.201 -3.201 289 3HB ALA 36 1HB ALA 36 27.735 -3.624 -3.624 290 H LYS 37 H LYS 37 25.907 -4.771 -4.771 291 HA LYS 37 HA LYS 37 26.270 -7.593 -7.593 292 1HB LYS 37 1HB LYS 37 28.639 -6.838 -6.838 293 2HB LYS 37 2HB LYS 37 28.823 -5.955 -5.955 294 1HG LYS 37 1HG LYS 37 29.730 -7.946 -7.946 295 2HG LYS 37 2HG LYS 37 28.051 -8.441 -8.441 296 1HD LYS 37 1HD LYS 37 28.521 -10.197 -10.197 297 2HD LYS 37 2HD LYS 37 28.712 -9.057 -9.057 298 1HE LYS 37 1HE LYS 37 31.014 -9.285 -9.285 299 2HE LYS 37 2HE LYS 37 31.125 -8.934 -8.934 300 1HZ LYS 37 3HZ LYS 37 29.972 -11.520 -11.520 301 2HZ LYS 37 1HZ LYS 37 31.548 -11.350 -11.350 302 3HZ LYS 37 2HZ LYS 37 31.202 -11.086 -11.086 303 H MET 38 H MET 38 24.662 -5.401 -5.401 304 HA MET 38 HA MET 38 25.601 -4.582 -4.582 305 1HB MET 38 1HB MET 38 24.752 -2.659 -2.659 306 2HB MET 38 2HB MET 38 23.583 -3.569 -3.569 307 1HG MET 38 1HG MET 38 21.893 -3.035 -3.035 308 2HG MET 38 2HG MET 38 22.784 -3.739 -3.739 309 1HE MET 38 3HE MET 38 20.846 -1.731 -1.731 310 2HE MET 38 2HE MET 38 21.659 -1.200 -1.200 311 3HE MET 38 1HE MET 38 21.294 -0.010 -0.010 Start of MODEL 26 1 1H THR 1 3H THR 1 -13.273 -6.202 -6.202 2 2H THR 1 1H THR 1 -12.695 -4.927 -4.927 3 3H THR 1 2H THR 1 -11.673 -6.196 -6.196 4 HA THR 1 HA THR 1 -12.687 -7.701 -7.701 5 HB THR 1 HB THR 1 -11.580 -5.290 -5.290 6 HG1 THR 1 HG1 THR 1 -11.279 -6.528 -6.528 7 1HG2 THR 1 3HG2 THR 1 -14.090 -5.928 -5.928 8 2HG2 THR 1 1HG2 THR 1 -12.754 -4.853 -4.853 9 3HG2 THR 1 2HG2 THR 1 -13.800 -4.399 -4.399 10 HA PRO 2 HA PRO 2 -17.027 -8.062 -8.062 11 1HB PRO 2 1HB PRO 2 -16.296 -7.935 -7.935 12 2HB PRO 2 2HB PRO 2 -17.367 -9.176 -9.176 13 1HG PRO 2 1HG PRO 2 -14.702 -9.720 -9.720 14 2HG PRO 2 2HG PRO 2 -15.526 -10.186 -10.186 15 1HD PRO 2 1HD PRO 2 -13.738 -7.853 -7.853 16 2HD PRO 2 2HD PRO 2 -13.483 -8.939 -8.939 17 H ASP 3 H ASP 3 -18.636 -7.437 -7.437 18 HA ASP 3 HA ASP 3 -19.192 -4.623 -4.623 19 1HB ASP 3 1HB ASP 3 -20.890 -6.403 -6.403 20 2HB ASP 3 2HB ASP 3 -20.109 -6.320 -6.320 21 H VAL 4 H VAL 4 -17.596 -3.317 -3.317 22 HA VAL 4 HA VAL 4 -16.417 -3.140 -3.140 23 HB VAL 4 HB VAL 4 -14.988 -3.614 -3.614 24 1HG1 VAL 4 1HG2 VAL 4 -15.032 -0.515 -0.515 25 2HG1 VAL 4 2HG2 VAL 4 -13.904 -1.574 -1.574 26 3HG1 VAL 4 3HG2 VAL 4 -15.615 -1.622 -1.622 27 1HG2 VAL 4 2HG1 VAL 4 -13.924 -3.289 -3.289 28 2HG2 VAL 4 3HG1 VAL 4 -12.949 -2.589 -2.589 29 3HG2 VAL 4 1HG1 VAL 4 -13.923 -1.527 -1.527 30 H SER 5 H SER 5 -18.930 -2.046 -2.046 31 HA SER 5 HA SER 5 -18.229 0.930 0.930 32 1HB SER 5 1HB SER 5 -20.970 -0.263 -0.263 33 2HB SER 5 2HB SER 5 -20.498 1.423 1.423 34 HG SER 5 HG SER 5 -19.789 -0.801 -0.801 35 H SER 6 H SER 6 -20.551 -1.460 -1.460 36 HA SER 6 HA SER 6 -20.559 0.159 0.159 37 1HB SER 6 1HB SER 6 -22.656 -1.197 -1.197 38 2HB SER 6 2HB SER 6 -22.869 -0.078 -0.078 39 HG SER 6 HG SER 6 -22.685 -2.894 -2.894 40 H ALA 7 H ALA 7 -18.469 -1.604 -1.604 41 HA ALA 7 HA ALA 7 -18.559 -3.434 -3.434 42 1HB ALA 7 2HB ALA 7 -18.355 -4.679 -4.679 43 2HB ALA 7 3HB ALA 7 -16.918 -3.723 -3.723 44 3HB ALA 7 1HB ALA 7 -16.858 -4.860 -4.860 45 H LEU 8 H LEU 8 -16.902 -0.919 -0.919 46 HA LEU 8 HA LEU 8 -14.561 -0.890 -0.890 47 1HB LEU 8 1HB LEU 8 -15.018 0.334 0.334 48 2HB LEU 8 2HB LEU 8 -15.625 1.626 1.626 49 HG LEU 8 HG LEU 8 -12.888 0.990 0.990 50 1HD1 LEU 8 2HD1 LEU 8 -13.964 3.260 3.260 51 2HD1 LEU 8 3HD1 LEU 8 -14.073 3.281 3.281 52 3HD1 LEU 8 1HD1 LEU 8 -12.483 3.287 3.287 53 1HD2 LEU 8 2HD2 LEU 8 -13.355 1.067 1.067 54 2HD2 LEU 8 3HD2 LEU 8 -12.633 -0.264 -0.264 55 3HD2 LEU 8 1HD2 LEU 8 -11.771 1.271 1.271 56 H ASP 9 H ASP 9 -17.777 0.425 0.425 57 HA ASP 9 HA ASP 9 -17.560 2.270 2.270 58 1HB ASP 9 1HB ASP 9 -19.721 1.727 1.727 59 2HB ASP 9 2HB ASP 9 -19.846 0.221 0.221 60 H LYS 10 H LYS 10 -17.885 -1.232 -1.232 61 HA LYS 10 HA LYS 10 -18.323 -1.370 -1.370 62 1HB LYS 10 1HB LYS 10 -17.271 -3.258 -3.258 63 2HB LYS 10 2HB LYS 10 -16.838 -3.694 -3.694 64 1HG LYS 10 1HG LYS 10 -19.551 -3.164 -3.164 65 2HG LYS 10 2HG LYS 10 -19.577 -3.621 -3.621 66 1HD LYS 10 1HD LYS 10 -18.830 -5.858 -5.858 67 2HD LYS 10 2HD LYS 10 -18.168 -5.377 -5.377 68 1HE LYS 10 1HE LYS 10 -20.316 -5.205 -5.205 69 2HE LYS 10 2HE LYS 10 -21.169 -4.912 -4.912 70 1HZ LYS 10 3HZ LYS 10 -19.760 -7.465 -7.465 71 2HZ LYS 10 1HZ LYS 10 -21.145 -7.262 -7.262 72 3HZ LYS 10 2HZ LYS 10 -21.225 -7.099 -7.099 73 H LEU 11 H LEU 11 -15.372 -0.961 -0.961 74 HA LEU 11 HA LEU 11 -13.808 -0.858 -0.858 75 1HB LEU 11 1HB LEU 11 -13.021 -0.483 -0.483 76 2HB LEU 11 2HB LEU 11 -11.903 -0.116 -0.116 77 HG LEU 11 HG LEU 11 -11.437 -2.329 -2.329 78 1HD1 LEU 11 2HD1 LEU 11 -13.766 -2.909 -2.909 79 2HD1 LEU 11 3HD1 LEU 11 -14.271 -3.146 -3.146 80 3HD1 LEU 11 1HD1 LEU 11 -13.060 -4.225 -4.225 81 1HD2 LEU 11 2HD2 LEU 11 -12.518 -2.550 -2.550 82 2HD2 LEU 11 3HD2 LEU 11 -10.864 -2.110 -2.110 83 3HD2 LEU 11 1HD2 LEU 11 -11.456 -3.748 -3.748 84 H LYS 12 H LYS 12 -13.542 1.355 1.355 85 HA LYS 12 HA LYS 12 -13.220 3.715 3.715 86 1HB LYS 12 1HB LYS 12 -15.696 3.576 3.576 87 2HB LYS 12 2HB LYS 12 -15.285 3.519 3.519 88 1HG LYS 12 1HG LYS 12 -15.690 5.833 5.833 89 2HG LYS 12 2HG LYS 12 -13.963 5.831 5.831 90 1HD LYS 12 1HD LYS 12 -15.505 5.379 5.379 91 2HD LYS 12 2HD LYS 12 -16.180 6.769 6.769 92 1HE LYS 12 1HE LYS 12 -14.407 8.067 8.067 93 2HE LYS 12 2HE LYS 12 -13.307 7.061 7.061 94 1HZ LYS 12 1HZ LYS 12 -14.200 5.912 5.912 95 2HZ LYS 12 2HZ LYS 12 -13.173 7.240 7.240 96 3HZ LYS 12 3HZ LYS 12 -12.691 5.867 5.867 97 H GLU 13 H GLU 13 -13.919 3.766 3.766 98 HA GLU 13 HA GLU 13 -11.560 4.992 4.992 99 1HB GLU 13 1HB GLU 13 -12.175 2.706 2.706 100 2HB GLU 13 2HB GLU 13 -12.300 4.420 4.420 101 1HG GLU 13 1HG GLU 13 -14.633 4.480 4.480 102 2HG GLU 13 2HG GLU 13 -14.516 2.817 2.817 103 H PHE 14 H PHE 14 -11.784 1.501 1.501 104 HA PHE 14 HA PHE 14 -9.111 0.999 0.999 105 1HB PHE 14 1HB PHE 14 -10.504 -0.914 -0.914 106 2HB PHE 14 2HB PHE 14 -11.273 -0.661 -0.661 107 HD1 PHE 14 HD2 PHE 14 -9.734 -1.101 -1.101 108 HD2 PHE 14 HD1 PHE 14 -8.832 -2.558 -2.558 109 HE1 PHE 14 HE2 PHE 14 -8.354 -2.898 -2.898 110 HE2 PHE 14 HE1 PHE 14 -7.478 -4.365 -4.365 111 HZ PHE 14 HZ PHE 14 -7.237 -4.543 -4.543 112 H GLY 15 H GLY 15 -10.140 1.904 1.904 113 1HA GLY 15 1HA GLY 15 -7.630 0.789 0.789 114 2HA GLY 15 2HA GLY 15 -8.857 1.794 1.794 115 H ASN 16 H ASN 16 -9.051 3.964 3.964 116 HA ASN 16 HA ASN 16 -6.833 5.645 5.645 117 1HB ASN 16 1HB ASN 16 -8.833 6.739 6.739 118 2HB ASN 16 2HB ASN 16 -8.986 5.715 5.715 119 1HD2 ASN 16 1HD2 ASN 16 -7.633 8.353 8.353 120 2HD2 ASN 16 2HD2 ASN 16 -8.944 7.071 7.071 121 H THR 17 H THR 17 -7.286 3.593 3.593 122 HA THR 17 HA THR 17 -5.191 4.796 4.796 123 HB THR 17 HB THR 17 -6.283 1.906 1.906 124 HG1 THR 17 HG1 THR 17 -7.360 2.619 2.619 125 1HG2 THR 17 3HG2 THR 17 -4.562 3.151 3.151 126 2HG2 THR 17 1HG2 THR 17 -5.414 1.590 1.590 127 3HG2 THR 17 2HG2 THR 17 -4.068 1.789 1.789 128 H LEU 18 H LEU 18 -5.074 2.325 2.325 129 HA LEU 18 HA LEU 18 -2.226 1.680 1.680 130 1HB LEU 18 1HB LEU 18 -2.383 -0.087 -0.087 131 2HB LEU 18 2HB LEU 18 -4.024 0.041 0.041 132 HG LEU 18 HG LEU 18 -4.297 1.634 1.634 133 1HD1 LEU 18 2HD1 LEU 18 -1.888 1.387 1.387 134 2HD1 LEU 18 3HD1 LEU 18 -2.074 -0.382 -0.382 135 3HD1 LEU 18 1HD1 LEU 18 -2.964 0.677 0.677 136 1HD2 LEU 18 2HD2 LEU 18 -4.407 -1.465 -1.465 137 2HD2 LEU 18 3HD2 LEU 18 -5.728 -0.345 -0.345 138 3HD2 LEU 18 1HD2 LEU 18 -5.145 -0.422 -0.422 139 H GLU 19 H GLU 19 -3.847 3.854 3.854 140 HA GLU 19 HA GLU 19 -1.218 4.471 4.471 141 1HB GLU 19 1HB GLU 19 -3.599 4.536 4.536 142 2HB GLU 19 2HB GLU 19 -3.920 5.970 5.970 143 1HG GLU 19 1HG GLU 19 -1.587 6.803 6.803 144 2HG GLU 19 2HG GLU 19 -2.137 5.646 5.646 145 H ASP 20 H ASP 20 -1.908 4.892 4.892 146 HA ASP 20 HA ASP 20 -0.518 7.605 7.605 147 1HB ASP 20 1HB ASP 20 -2.998 7.293 7.293 148 2HB ASP 20 2HB ASP 20 -2.047 6.686 6.686 149 H LYS 21 H LYS 21 -0.805 4.481 4.481 150 HA LYS 21 HA LYS 21 1.669 5.041 5.041 151 1HB LYS 21 1HB LYS 21 0.450 3.638 3.638 152 2HB LYS 21 2HB LYS 21 -0.612 3.147 3.147 153 1HG LYS 21 1HG LYS 21 2.207 1.955 1.955 154 2HG LYS 21 2HG LYS 21 1.129 1.430 1.430 155 1HD LYS 21 1HD LYS 21 0.141 1.393 1.393 156 2HD LYS 21 2HD LYS 21 1.326 0.175 0.175 157 1HE LYS 21 1HE LYS 21 -0.746 0.450 0.450 158 2HE LYS 21 2HE LYS 21 -1.534 0.143 0.143 159 1HZ LYS 21 2HZ LYS 21 0.854 -1.437 -1.437 160 2HZ LYS 21 3HZ LYS 21 -0.602 -1.807 -1.807 161 3HZ LYS 21 1HZ LYS 21 -0.490 -1.852 -1.852 162 H ALA 22 H ALA 22 0.685 3.241 3.241 163 HA ALA 22 HA ALA 22 3.259 1.837 1.837 164 1HB ALA 22 2HB ALA 22 1.122 1.163 1.163 165 2HB ALA 22 3HB ALA 22 1.099 2.696 2.696 166 3HB ALA 22 1HB ALA 22 2.382 1.500 1.500 167 H ARG 23 H ARG 23 2.525 5.117 5.117 168 HA ARG 23 HA ARG 23 4.410 5.775 5.775 169 1HB ARG 23 1HB ARG 23 2.503 7.169 7.169 170 2HB ARG 23 2HB ARG 23 4.033 8.019 8.019 171 1HG ARG 23 1HG ARG 23 3.417 9.105 9.105 172 2HG ARG 23 2HG ARG 23 3.725 7.593 7.593 173 1HD ARG 23 1HD ARG 23 1.387 6.958 6.958 174 2HD ARG 23 2HD ARG 23 1.013 8.079 8.079 175 HE ARG 23 HE ARG 23 1.229 9.985 9.985 176 1HH1 ARG 23 2HH2 ARG 23 1.577 6.914 6.914 177 2HH1 ARG 23 1HH2 ARG 23 1.255 7.659 7.659 178 1HH2 ARG 23 1HH1 ARG 23 0.890 10.706 10.706 179 2HH2 ARG 23 2HH1 ARG 23 0.889 9.719 9.719 180 H GLU 24 H GLU 24 4.612 5.492 5.492 181 HA GLU 24 HA GLU 24 7.461 6.527 6.527 182 1HB GLU 24 1HB GLU 24 5.947 5.200 5.200 183 2HB GLU 24 2HB GLU 24 7.363 6.218 6.218 184 1HG GLU 24 1HG GLU 24 6.112 8.249 8.249 185 2HG GLU 24 2HG GLU 24 4.812 7.464 7.464 186 H LEU 25 H LEU 25 5.680 3.529 3.529 187 HA LEU 25 HA LEU 25 8.071 1.828 1.828 188 1HB LEU 25 1HB LEU 25 6.322 0.435 0.435 189 2HB LEU 25 2HB LEU 25 5.161 1.476 1.476 190 HG LEU 25 HG LEU 25 6.883 -0.427 -0.427 191 1HD1 LEU 25 2HD1 LEU 25 5.915 -1.805 -1.805 192 2HD1 LEU 25 3HD1 LEU 25 4.281 -1.204 -1.204 193 3HD1 LEU 25 1HD1 LEU 25 5.157 -2.214 -2.214 194 1HD2 LEU 25 2HD2 LEU 25 4.022 0.709 0.709 195 2HD2 LEU 25 3HD2 LEU 25 5.483 1.165 1.165 196 3HD2 LEU 25 1HD2 LEU 25 4.814 -0.460 -0.460 197 H ILE 26 H ILE 26 6.602 3.359 3.359 198 HA ILE 26 HA ILE 26 7.738 1.606 1.606 199 HB ILE 26 HB ILE 26 6.497 4.333 4.333 200 1HG1 ILE 26 1HG1 ILE 26 6.253 2.420 2.420 201 2HG1 ILE 26 2HG1 ILE 26 5.486 2.003 2.003 202 1HG2 ILE 26 2HG2 ILE 26 8.624 5.020 5.020 203 2HG2 ILE 26 3HG2 ILE 26 8.392 3.707 3.707 204 3HG2 ILE 26 1HG2 ILE 26 7.264 5.077 5.077 205 1HD1 ILE 26 2HD1 ILE 26 4.156 4.146 4.146 206 2HD1 ILE 26 3HD1 ILE 26 4.827 4.560 4.560 207 3HD1 ILE 26 1HD1 ILE 26 3.821 3.114 3.114 208 H SER 27 H SER 27 9.049 4.346 4.346 209 HA SER 27 HA SER 27 11.579 4.397 4.397 210 1HB SER 27 1HB SER 27 11.467 6.307 6.307 211 2HB SER 27 2HB SER 27 10.593 5.533 5.533 212 HG SER 27 HG SER 27 13.367 5.122 5.122 213 H ARG 28 H ARG 28 10.401 2.492 2.492 214 HA ARG 28 HA ARG 28 12.988 1.069 1.069 215 1HB ARG 28 1HB ARG 28 11.233 1.246 1.246 216 2HB ARG 28 2HB ARG 28 10.081 0.367 0.367 217 1HG ARG 28 1HG ARG 28 12.039 -1.576 -1.576 218 2HG ARG 28 2HG ARG 28 12.534 -0.679 -0.679 219 1HD ARG 28 1HD ARG 28 9.818 -0.859 -0.859 220 2HD ARG 28 2HD ARG 28 10.031 -2.316 -2.316 221 HE ARG 28 HE ARG 28 11.349 -3.304 -3.304 222 1HH1 ARG 28 2HH2 ARG 28 11.063 0.083 0.083 223 2HH1 ARG 28 1HH2 ARG 28 11.841 -0.117 -0.117 224 1HH2 ARG 28 1HH1 ARG 28 12.176 -3.443 -3.443 225 2HH2 ARG 28 2HH1 ARG 28 12.445 -2.032 -2.032 226 H ILE 29 H ILE 29 10.440 0.847 0.847 227 HA ILE 29 HA ILE 29 10.861 -2.107 -2.107 228 HB ILE 29 HB ILE 29 8.913 -0.022 -0.022 229 1HG1 ILE 29 1HG1 ILE 29 7.568 -1.117 -1.117 230 2HG1 ILE 29 2HG1 ILE 29 7.460 -2.386 -2.386 231 1HG2 ILE 29 2HG2 ILE 29 9.672 -1.069 -1.069 232 2HG2 ILE 29 3HG2 ILE 29 9.346 -2.694 -2.694 233 3HG2 ILE 29 1HG2 ILE 29 8.030 -1.537 -1.537 234 1HD1 ILE 29 2HD1 ILE 29 9.357 -3.664 -3.664 235 2HD1 ILE 29 3HD1 ILE 29 9.429 -2.455 -2.455 236 3HD1 ILE 29 1HD1 ILE 29 7.968 -3.433 -3.433 237 H LYS 30 H LYS 30 11.743 0.923 0.923 238 HA LYS 30 HA LYS 30 12.699 -0.199 -0.199 239 1HB LYS 30 1HB LYS 30 12.844 2.072 2.072 240 2HB LYS 30 2HB LYS 30 12.712 2.393 2.393 241 1HG LYS 30 1HG LYS 30 15.440 1.372 1.372 242 2HG LYS 30 2HG LYS 30 15.000 2.827 2.827 243 1HD LYS 30 1HD LYS 30 14.442 2.918 2.918 244 2HD LYS 30 2HD LYS 30 16.152 2.686 2.686 245 1HE LYS 30 1HE LYS 30 14.337 4.935 4.935 246 2HE LYS 30 2HE LYS 30 15.575 5.166 5.166 247 1HZ LYS 30 3HZ LYS 30 16.277 3.918 3.918 248 2HZ LYS 30 1HZ LYS 30 16.208 5.589 5.589 249 3HZ LYS 30 2HZ LYS 30 17.277 4.688 4.688 250 H GLN 31 H GLN 31 14.082 0.032 0.032 251 HA GLN 31 HA GLN 31 16.801 -0.717 -0.717 252 1HB GLN 31 1HB GLN 31 15.916 0.949 0.949 253 2HB GLN 31 2HB GLN 31 16.334 -0.505 -0.505 254 1HG GLN 31 1HG GLN 31 18.690 -0.331 -0.331 255 2HG GLN 31 2HG GLN 31 18.203 1.315 1.315 256 1HE2 GLN 31 2HE2 GLN 31 20.363 1.065 1.065 257 2HE2 GLN 31 1HE2 GLN 31 20.507 0.439 0.439 258 H SER 32 H SER 32 14.569 -2.605 -2.605 259 HA SER 32 HA SER 32 16.330 -4.883 -4.883 260 1HB SER 32 1HB SER 32 14.946 -6.014 -6.014 261 2HB SER 32 2HB SER 32 15.550 -4.483 -4.483 262 HG SER 32 HG SER 32 13.400 -4.608 -4.608 263 H GLU 33 H GLU 33 14.813 -3.727 -3.727 264 HA GLU 33 HA GLU 33 13.518 -6.399 -6.399 265 1HB GLU 33 1HB GLU 33 12.333 -3.684 -3.684 266 2HB GLU 33 2HB GLU 33 12.287 -4.238 -4.238 267 1HG GLU 33 1HG GLU 33 11.319 -6.426 -6.426 268 2HG GLU 33 2HG GLU 33 10.508 -4.956 -4.956 269 H LEU 34 H LEU 34 16.195 -5.174 -5.174 270 HA LEU 34 HA LEU 34 16.116 -5.351 -5.351 271 1HB LEU 34 1HB LEU 34 18.312 -3.978 -3.978 272 2HB LEU 34 2HB LEU 34 16.820 -3.115 -3.115 273 HG LEU 34 HG LEU 34 18.830 -4.035 -4.035 274 1HD1 LEU 34 2HD1 LEU 34 19.722 -2.223 -2.223 275 2HD1 LEU 34 3HD1 LEU 34 18.287 -1.219 -1.219 276 3HD1 LEU 34 1HD1 LEU 34 19.425 -1.609 -1.609 277 1HD2 LEU 34 2HD2 LEU 34 16.290 -2.277 -2.277 278 2HD2 LEU 34 3HD2 LEU 34 16.563 -3.880 -3.880 279 3HD2 LEU 34 1HD2 LEU 34 17.524 -2.501 -2.501 280 H SER 35 H SER 35 17.496 -6.548 -6.548 281 HA SER 35 HA SER 35 19.340 -8.024 -8.024 282 1HB SER 35 1HB SER 35 17.666 -9.191 -9.191 283 2HB SER 35 2HB SER 35 19.336 -9.671 -9.671 284 HG SER 35 HG SER 35 17.631 -10.689 -10.689 285 H ALA 36 H ALA 36 19.779 -5.538 -5.538 286 HA ALA 36 HA ALA 36 21.760 -6.091 -6.091 287 1HB ALA 36 2HB ALA 36 20.036 -4.269 -4.269 288 2HB ALA 36 3HB ALA 36 20.634 -3.437 -3.437 289 3HB ALA 36 1HB ALA 36 21.664 -3.563 -3.563 290 H LYS 37 H LYS 37 21.739 -3.902 -3.902 291 HA LYS 37 HA LYS 37 24.664 -4.723 -4.723 292 1HB LYS 37 1HB LYS 37 23.833 -2.197 -2.197 293 2HB LYS 37 2HB LYS 37 23.805 -1.938 -1.938 294 1HG LYS 37 1HG LYS 37 26.213 -2.549 -2.549 295 2HG LYS 37 2HG LYS 37 26.260 -3.144 -3.144 296 1HD LYS 37 1HD LYS 37 25.452 -0.472 -0.472 297 2HD LYS 37 2HD LYS 37 26.454 -0.360 -0.360 298 1HE LYS 37 1HE LYS 37 27.520 -2.051 -2.051 299 2HE LYS 37 2HE LYS 37 27.606 -0.290 -0.290 300 1HZ LYS 37 1HZ LYS 37 28.515 -0.471 -0.471 301 2HZ LYS 37 2HZ LYS 37 28.928 -2.027 -2.027 302 3HZ LYS 37 3HZ LYS 37 29.520 -0.696 -0.696 303 H MET 38 H MET 38 22.365 -5.878 -5.878 304 HA MET 38 HA MET 38 21.702 -4.796 -4.796 305 1HB MET 38 1HB MET 38 20.899 -7.027 -7.027 306 2HB MET 38 2HB MET 38 21.833 -7.806 -7.806 307 1HG MET 38 1HG MET 38 19.862 -5.792 -5.792 308 2HG MET 38 2HG MET 38 19.143 -7.160 -7.160 309 1HE MET 38 1HE MET 38 17.955 -7.989 -7.989 310 2HE MET 38 3HE MET 38 18.505 -9.158 -9.158 311 3HE MET 38 2HE MET 38 18.367 -7.421 -7.421 Start of MODEL 27 1 1H THR 1 2H THR 1 -23.556 -5.740 -5.740 2 2H THR 1 3H THR 1 -23.106 -5.226 -5.226 3 3H THR 1 1H THR 1 -23.474 -6.844 -6.844 4 HA THR 1 HA THR 1 -21.212 -6.865 -6.865 5 HB THR 1 HB THR 1 -21.471 -4.104 -4.104 6 HG1 THR 1 HG1 THR 1 -19.233 -4.126 -4.126 7 1HG2 THR 1 3HG2 THR 1 -19.778 -5.289 -5.289 8 2HG2 THR 1 1HG2 THR 1 -19.831 -3.572 -3.572 9 3HG2 THR 1 2HG2 THR 1 -21.270 -4.339 -4.339 10 HA PRO 2 HA PRO 2 -20.480 -9.231 -9.231 11 1HB PRO 2 1HB PRO 2 -17.825 -7.795 -7.795 12 2HB PRO 2 2HB PRO 2 -18.221 -9.644 -9.644 13 1HG PRO 2 1HG PRO 2 -17.276 -8.290 -8.290 14 2HG PRO 2 2HG PRO 2 -18.579 -9.656 -9.656 15 1HD PRO 2 1HD PRO 2 -18.632 -6.552 -6.552 16 2HD PRO 2 2HD PRO 2 -19.481 -7.711 -7.711 17 H ASP 3 H ASP 3 -18.554 -8.548 -8.548 18 HA ASP 3 HA ASP 3 -20.205 -6.503 -6.503 19 1HB ASP 3 1HB ASP 3 -18.877 -8.775 -8.775 20 2HB ASP 3 2HB ASP 3 -17.616 -7.595 -7.595 21 H VAL 4 H VAL 4 -19.387 -5.266 -5.266 22 HA VAL 4 HA VAL 4 -16.818 -3.798 -3.798 23 HB VAL 4 HB VAL 4 -17.342 -5.237 -5.237 24 1HG1 VAL 4 1HG2 VAL 4 -17.638 -2.255 -2.255 25 2HG1 VAL 4 2HG2 VAL 4 -17.354 -3.610 -3.610 26 3HG1 VAL 4 3HG2 VAL 4 -18.861 -3.529 -3.529 27 1HG2 VAL 4 2HG1 VAL 4 -15.033 -4.561 -4.561 28 2HG2 VAL 4 3HG1 VAL 4 -15.247 -4.281 -4.281 29 3HG2 VAL 4 1HG1 VAL 4 -15.307 -2.908 -2.908 30 H SER 5 H SER 5 -20.163 -3.534 -3.534 31 HA SER 5 HA SER 5 -20.229 -0.635 -0.635 32 1HB SER 5 1HB SER 5 -22.505 -0.886 -0.886 33 2HB SER 5 2HB SER 5 -22.196 -2.614 -2.614 34 HG SER 5 HG SER 5 -23.277 -2.532 -2.532 35 H SER 6 H SER 6 -20.517 -2.617 -2.617 36 HA SER 6 HA SER 6 -19.649 -0.162 -0.162 37 1HB SER 6 1HB SER 6 -20.432 -2.909 -2.909 38 2HB SER 6 2HB SER 6 -20.336 -1.392 -1.392 39 HG SER 6 HG SER 6 -22.485 -2.091 -2.091 40 H ALA 7 H ALA 7 -17.903 -1.201 -1.201 41 HA ALA 7 HA ALA 7 -15.818 -2.696 -2.696 42 1HB ALA 7 2HB ALA 7 -15.939 -2.765 -2.765 43 2HB ALA 7 3HB ALA 7 -15.637 -1.013 -1.013 44 3HB ALA 7 1HB ALA 7 -14.370 -2.112 -2.112 45 H LEU 8 H LEU 8 -14.009 -1.990 -1.990 46 HA LEU 8 HA LEU 8 -13.271 -0.662 -0.662 47 1HB LEU 8 1HB LEU 8 -11.899 0.078 0.078 48 2HB LEU 8 2HB LEU 8 -13.181 0.914 0.914 49 HG LEU 8 HG LEU 8 -12.275 2.080 2.080 50 1HD1 LEU 8 2HD1 LEU 8 -10.125 1.554 1.554 51 2HD1 LEU 8 3HD1 LEU 8 -10.683 2.433 2.433 52 3HD1 LEU 8 1HD1 LEU 8 -10.393 3.305 3.305 53 1HD2 LEU 8 2HD2 LEU 8 -13.202 3.372 3.372 54 2HD2 LEU 8 3HD2 LEU 8 -14.147 3.227 3.227 55 3HD2 LEU 8 1HD2 LEU 8 -12.727 4.277 4.277 56 H ASP 9 H ASP 9 -16.152 -0.639 -0.639 57 HA ASP 9 HA ASP 9 -16.805 2.012 2.012 58 1HB ASP 9 1HB ASP 9 -18.567 1.391 1.391 59 2HB ASP 9 2HB ASP 9 -18.472 -0.304 -0.304 60 H LYS 10 H LYS 10 -17.075 -1.445 -1.445 61 HA LYS 10 HA LYS 10 -17.587 -1.055 -1.055 62 1HB LYS 10 1HB LYS 10 -16.039 -3.481 -3.481 63 2HB LYS 10 2HB LYS 10 -17.251 -3.429 -3.429 64 1HG LYS 10 1HG LYS 10 -18.528 -2.531 -2.531 65 2HG LYS 10 2HG LYS 10 -17.609 -3.992 -3.992 66 1HD LYS 10 1HD LYS 10 -19.647 -4.923 -4.923 67 2HD LYS 10 2HD LYS 10 -18.890 -4.863 -4.863 68 1HE LYS 10 1HE LYS 10 -20.865 -3.690 -3.690 69 2HE LYS 10 2HE LYS 10 -19.887 -2.309 -2.309 70 1HZ LYS 10 2HZ LYS 10 -20.816 -3.139 -3.139 71 2HZ LYS 10 3HZ LYS 10 -22.091 -3.618 -3.618 72 3HZ LYS 10 1HZ LYS 10 -21.602 -2.010 -2.010 73 H LEU 11 H LEU 11 -14.692 -1.264 -1.264 74 HA LEU 11 HA LEU 11 -13.045 -0.965 -0.965 75 1HB LEU 11 1HB LEU 11 -12.501 -2.025 -2.025 76 2HB LEU 11 2HB LEU 11 -11.160 -1.212 -1.212 77 HG LEU 11 HG LEU 11 -10.593 -3.205 -3.205 78 1HD1 LEU 11 2HD1 LEU 11 -11.610 -2.221 -2.221 79 2HD1 LEU 11 3HD1 LEU 11 -13.177 -2.976 -2.976 80 3HD1 LEU 11 1HD1 LEU 11 -11.763 -3.987 -3.987 81 1HD2 LEU 11 2HD2 LEU 11 -13.434 -4.261 -4.261 82 2HD2 LEU 11 3HD2 LEU 11 -11.961 -4.460 -4.460 83 3HD2 LEU 11 1HD2 LEU 11 -12.080 -5.268 -5.268 84 H LYS 12 H LYS 12 -14.637 1.117 1.117 85 HA LYS 12 HA LYS 12 -12.607 3.174 3.174 86 1HB LYS 12 1HB LYS 12 -15.267 3.106 3.106 87 2HB LYS 12 2HB LYS 12 -15.390 3.820 3.820 88 1HG LYS 12 1HG LYS 12 -15.209 5.826 5.826 89 2HG LYS 12 2HG LYS 12 -13.480 5.516 5.516 90 1HD LYS 12 1HD LYS 12 -13.376 4.754 4.754 91 2HD LYS 12 2HD LYS 12 -15.124 4.459 4.459 92 1HE LYS 12 1HE LYS 12 -14.276 7.305 7.305 93 2HE LYS 12 2HE LYS 12 -13.985 6.799 6.799 94 1HZ LYS 12 1HZ LYS 12 -16.592 6.186 6.186 95 2HZ LYS 12 2HZ LYS 12 -16.277 7.746 7.746 96 3HZ LYS 12 3HZ LYS 12 -16.202 6.450 6.450 97 H GLU 13 H GLU 13 -11.364 2.195 2.195 98 HA GLU 13 HA GLU 13 -11.219 4.047 4.047 99 1HB GLU 13 1HB GLU 13 -12.221 2.172 2.172 100 2HB GLU 13 2HB GLU 13 -13.158 3.515 3.515 101 1HG GLU 13 1HG GLU 13 -14.475 2.137 2.137 102 2HG GLU 13 2HG GLU 13 -13.242 0.913 0.913 103 H PHE 14 H PHE 14 -11.343 0.642 0.642 104 HA PHE 14 HA PHE 14 -8.708 0.133 0.133 105 1HB PHE 14 1HB PHE 14 -9.916 -1.874 -1.874 106 2HB PHE 14 2HB PHE 14 -10.807 -1.535 -1.535 107 HD1 PHE 14 HD2 PHE 14 -9.393 -1.717 -1.717 108 HD2 PHE 14 HD1 PHE 14 -8.204 -3.490 -3.490 109 HE1 PHE 14 HE2 PHE 14 -7.968 -3.324 -3.324 110 HE2 PHE 14 HE1 PHE 14 -6.802 -5.104 -5.104 111 HZ PHE 14 HZ PHE 14 -6.675 -5.025 -5.025 112 H GLY 15 H GLY 15 -9.651 0.998 0.998 113 1HA GLY 15 1HA GLY 15 -6.985 0.128 0.128 114 2HA GLY 15 2HA GLY 15 -8.243 1.033 1.033 115 H ASN 16 H ASN 16 -8.673 3.169 3.169 116 HA ASN 16 HA ASN 16 -6.608 5.034 5.034 117 1HB ASN 16 1HB ASN 16 -8.655 5.997 5.997 118 2HB ASN 16 2HB ASN 16 -8.791 4.919 4.919 119 1HD2 ASN 16 1HD2 ASN 16 -7.476 7.411 7.411 120 2HD2 ASN 16 2HD2 ASN 16 -8.375 5.807 5.807 121 H THR 17 H THR 17 -6.825 2.866 2.866 122 HA THR 17 HA THR 17 -4.680 4.249 4.249 123 HB THR 17 HB THR 17 -5.895 1.419 1.419 124 HG1 THR 17 HG1 THR 17 -6.960 2.386 2.386 125 1HG2 THR 17 3HG2 THR 17 -4.155 2.922 2.922 126 2HG2 THR 17 1HG2 THR 17 -5.033 1.400 1.400 127 3HG2 THR 17 2HG2 THR 17 -3.683 1.428 1.428 128 H LEU 18 H LEU 18 -4.873 1.338 1.338 129 HA LEU 18 HA LEU 18 -2.108 0.497 0.497 130 1HB LEU 18 1HB LEU 18 -3.814 -1.025 -1.025 131 2HB LEU 18 2HB LEU 18 -3.842 -0.017 -0.017 132 HG LEU 18 HG LEU 18 -1.302 -0.583 -0.583 133 1HD1 LEU 18 3HD2 LEU 18 -1.053 -1.607 -1.607 134 2HD1 LEU 18 1HD2 LEU 18 -2.056 -2.964 -2.964 135 3HD1 LEU 18 2HD2 LEU 18 -0.481 -2.671 -2.671 136 1HD2 LEU 18 2HD1 LEU 18 -3.201 -1.481 -1.481 137 2HD2 LEU 18 3HD1 LEU 18 -1.882 -2.664 -2.664 138 3HD2 LEU 18 1HD1 LEU 18 -3.385 -2.845 -2.845 139 H GLU 19 H GLU 19 -3.489 2.768 2.768 140 HA GLU 19 HA GLU 19 -1.042 2.885 2.885 141 1HB GLU 19 1HB GLU 19 -3.450 3.431 3.431 142 2HB GLU 19 2HB GLU 19 -3.401 4.869 4.869 143 1HG GLU 19 1HG GLU 19 -1.742 5.954 5.954 144 2HG GLU 19 2HG GLU 19 -1.363 4.464 4.464 145 H ASP 20 H ASP 20 -2.343 4.759 4.759 146 HA ASP 20 HA ASP 20 -0.464 6.990 6.990 147 1HB ASP 20 1HB ASP 20 -2.758 7.067 7.067 148 2HB ASP 20 2HB ASP 20 -1.912 6.312 6.312 149 H LYS 21 H LYS 21 -0.535 4.266 4.266 150 HA LYS 21 HA LYS 21 2.089 5.162 5.162 151 1HB LYS 21 1HB LYS 21 1.552 3.747 3.747 152 2HB LYS 21 2HB LYS 21 -0.063 3.795 3.795 153 1HG LYS 21 1HG LYS 21 1.217 1.679 1.679 154 2HG LYS 21 2HG LYS 21 1.884 1.520 1.520 155 1HD LYS 21 1HD LYS 21 -0.600 1.558 1.558 156 2HD LYS 21 2HD LYS 21 -1.072 1.465 1.465 157 1HE LYS 21 1HE LYS 21 -0.976 -0.859 -0.859 158 2HE LYS 21 2HE LYS 21 0.470 -0.630 -0.630 159 1HZ LYS 21 3HZ LYS 21 0.785 0.067 0.067 160 2HZ LYS 21 1HZ LYS 21 0.533 -1.564 -1.564 161 3HZ LYS 21 2HZ LYS 21 1.822 -0.754 -0.754 162 H ALA 22 H ALA 22 0.996 3.091 3.091 163 HA ALA 22 HA ALA 22 3.699 1.778 1.778 164 1HB ALA 22 2HB ALA 22 1.593 0.560 0.560 165 2HB ALA 22 3HB ALA 22 1.241 1.802 1.802 166 3HB ALA 22 1HB ALA 22 2.662 0.745 0.745 167 H ARG 23 H ARG 23 2.317 4.740 4.740 168 HA ARG 23 HA ARG 23 3.936 5.151 5.151 169 1HB ARG 23 1HB ARG 23 1.965 6.608 6.608 170 2HB ARG 23 2HB ARG 23 3.373 7.651 7.651 171 1HG ARG 23 1HG ARG 23 2.883 8.257 8.257 172 2HG ARG 23 2HG ARG 23 2.911 6.575 6.575 173 1HD ARG 23 1HD ARG 23 0.594 6.400 6.400 174 2HD ARG 23 2HD ARG 23 0.439 7.324 7.324 175 HE ARG 23 HE ARG 23 1.190 9.367 9.367 176 1HH1 ARG 23 2HH2 ARG 23 -0.986 6.809 6.809 177 2HH1 ARG 23 1HH2 ARG 23 -1.875 7.876 7.876 178 1HH2 ARG 23 1HH1 ARG 23 0.180 10.460 10.460 179 2HH2 ARG 23 2HH1 ARG 23 -1.246 9.862 9.862 180 H GLU 24 H GLU 24 4.386 6.148 6.148 181 HA GLU 24 HA GLU 24 7.006 7.401 7.401 182 1HB GLU 24 1HB GLU 24 6.036 6.317 6.317 183 2HB GLU 24 2HB GLU 24 7.204 7.588 7.588 184 1HG GLU 24 1HG GLU 24 5.520 9.229 9.229 185 2HG GLU 24 2HG GLU 24 4.344 8.043 8.043 186 H LEU 25 H LEU 25 5.981 4.280 4.280 187 HA LEU 25 HA LEU 25 8.708 3.184 3.184 188 1HB LEU 25 1HB LEU 25 7.318 1.659 1.659 189 2HB LEU 25 2HB LEU 25 5.916 2.184 2.184 190 HG LEU 25 HG LEU 25 7.986 0.356 0.356 191 1HD1 LEU 25 2HD1 LEU 25 7.410 -0.696 -0.696 192 2HD1 LEU 25 3HD1 LEU 25 5.672 -0.575 -0.575 193 3HD1 LEU 25 1HD1 LEU 25 6.726 -1.628 -1.628 194 1HD2 LEU 25 2HD2 LEU 25 4.931 0.714 0.714 195 2HD2 LEU 25 3HD2 LEU 25 6.224 1.238 1.238 196 3HD2 LEU 25 1HD2 LEU 25 5.942 -0.487 -0.487 197 H ILE 26 H ILE 26 6.654 3.780 3.780 198 HA ILE 26 HA ILE 26 8.199 2.007 2.007 199 HB ILE 26 HB ILE 26 6.005 4.062 4.062 200 1HG1 ILE 26 1HG1 ILE 26 6.231 1.533 1.533 201 2HG1 ILE 26 2HG1 ILE 26 5.827 1.384 1.384 202 1HG2 ILE 26 2HG2 ILE 26 7.608 4.976 4.976 203 2HG2 ILE 26 3HG2 ILE 26 7.750 3.360 3.360 204 3HG2 ILE 26 1HG2 ILE 26 6.218 4.260 4.260 205 1HD1 ILE 26 2HD1 ILE 26 3.819 2.889 2.889 206 2HD1 ILE 26 3HD1 ILE 26 4.128 2.981 2.981 207 3HD1 ILE 26 1HD1 ILE 26 3.739 1.423 1.423 208 H SER 27 H SER 27 8.388 5.365 5.365 209 HA SER 27 HA SER 27 10.635 5.969 5.969 210 1HB SER 27 1HB SER 27 9.418 7.851 7.851 211 2HB SER 27 2HB SER 27 9.711 7.312 7.312 212 HG SER 27 HG SER 27 11.343 8.690 8.690 213 H ARG 28 H ARG 28 10.325 4.434 4.434 214 HA ARG 28 HA ARG 28 13.273 4.182 4.182 215 1HB ARG 28 1HB ARG 28 11.840 4.019 4.019 216 2HB ARG 28 2HB ARG 28 10.797 2.821 2.821 217 1HG ARG 28 1HG ARG 28 13.104 1.323 1.323 218 2HG ARG 28 2HG ARG 28 13.592 2.466 2.466 219 1HD ARG 28 1HD ARG 28 10.972 1.766 1.766 220 2HD ARG 28 2HD ARG 28 11.581 0.250 0.250 221 HE ARG 28 HE ARG 28 12.555 1.577 1.577 222 1HH1 ARG 28 2HH2 ARG 28 13.556 -0.545 -0.545 223 2HH1 ARG 28 1HH2 ARG 28 14.889 -1.293 -1.293 224 1HH2 ARG 28 2HH1 ARG 28 15.144 -0.609 -0.609 225 2HH2 ARG 28 1HH1 ARG 28 14.015 0.721 0.721 226 H ILE 29 H ILE 29 10.832 2.521 2.521 227 HA ILE 29 HA ILE 29 12.290 -0.072 -0.072 228 HB ILE 29 HB ILE 29 9.828 1.072 1.072 229 1HG1 ILE 29 1HG1 ILE 29 9.638 -1.748 -1.748 230 2HG1 ILE 29 2HG1 ILE 29 10.196 -0.693 -0.693 231 1HG2 ILE 29 2HG2 ILE 29 10.993 -0.068 -0.068 232 2HG2 ILE 29 3HG2 ILE 29 11.156 -1.562 -1.562 233 3HG2 ILE 29 1HG2 ILE 29 9.562 -0.958 -0.958 234 1HD1 ILE 29 2HD1 ILE 29 8.214 0.840 0.840 235 2HD1 ILE 29 3HD1 ILE 29 7.552 -0.265 -0.265 236 3HD1 ILE 29 1HD1 ILE 29 7.765 -0.825 -0.825 237 H LYS 30 H LYS 30 12.082 2.776 2.776 238 HA LYS 30 HA LYS 30 13.457 1.664 1.664 239 1HB LYS 30 1HB LYS 30 13.118 3.789 3.789 240 2HB LYS 30 2HB LYS 30 12.307 4.147 4.147 241 1HG LYS 30 1HG LYS 30 15.242 4.418 4.418 242 2HG LYS 30 2HG LYS 30 14.739 5.329 5.329 243 1HD LYS 30 1HD LYS 30 12.829 6.198 6.198 244 2HD LYS 30 2HD LYS 30 14.046 5.685 5.685 245 1HE LYS 30 1HE LYS 30 14.761 7.925 7.925 246 2HE LYS 30 2HE LYS 30 15.798 7.019 7.019 247 1HZ LYS 30 2HZ LYS 30 13.136 7.896 7.896 248 2HZ LYS 30 3HZ LYS 30 14.409 8.994 8.994 249 3HZ LYS 30 1HZ LYS 30 14.534 7.605 7.605 250 H GLN 31 H GLN 31 14.632 3.213 3.213 251 HA GLN 31 HA GLN 31 17.480 2.774 2.774 252 1HB GLN 31 1HB GLN 31 16.189 4.710 4.710 253 2HB GLN 31 2HB GLN 31 16.898 3.686 3.686 254 1HG GLN 31 1HG GLN 31 19.194 4.002 4.002 255 2HG GLN 31 2HG GLN 31 18.374 5.305 5.305 256 1HE2 GLN 31 2HE2 GLN 31 20.261 6.131 6.131 257 2HE2 GLN 31 1HE2 GLN 31 20.489 4.604 4.604 258 H SER 32 H SER 32 16.175 0.438 0.438 259 HA SER 32 HA SER 32 17.941 -1.067 -1.067 260 1HB SER 32 1HB SER 32 16.255 -0.050 -0.050 261 2HB SER 32 2HB SER 32 15.037 -1.124 -1.124 262 HG SER 32 HG SER 32 17.298 -1.685 -1.685 263 H GLU 33 H GLU 33 17.714 -1.356 -1.356 264 HA GLU 33 HA GLU 33 15.680 -3.613 -3.613 265 1HB GLU 33 1HB GLU 33 16.380 -1.146 -1.146 266 2HB GLU 33 2HB GLU 33 16.651 -2.530 -2.530 267 1HG GLU 33 1HG GLU 33 14.118 -3.207 -3.207 268 2HG GLU 33 2HG GLU 33 13.997 -1.504 -1.504 269 H LEU 34 H LEU 34 18.389 -3.794 -3.794 270 HA LEU 34 HA LEU 34 19.468 -5.705 -5.705 271 1HB LEU 34 1HB LEU 34 21.856 -4.919 -4.919 272 2HB LEU 34 2HB LEU 34 20.925 -3.879 -3.879 273 HG LEU 34 HG LEU 34 20.429 -2.920 -2.920 274 1HD1 LEU 34 2HD1 LEU 34 22.460 -4.222 -4.222 275 2HD1 LEU 34 3HD1 LEU 34 23.441 -3.415 -3.415 276 3HD1 LEU 34 1HD1 LEU 34 22.754 -2.476 -2.476 277 1HD2 LEU 34 2HD2 LEU 34 22.209 -1.782 -1.782 278 2HD2 LEU 34 3HD2 LEU 34 20.485 -1.436 -1.436 279 3HD2 LEU 34 1HD2 LEU 34 21.688 -0.875 -0.875 280 H SER 35 H SER 35 19.962 -4.445 -4.445 281 HA SER 35 HA SER 35 21.259 -5.482 -5.482 282 1HB SER 35 1HB SER 35 18.806 -7.320 -7.320 283 2HB SER 35 2HB SER 35 19.834 -7.471 -7.471 284 HG SER 35 HG SER 35 17.812 -5.867 -5.867 285 H ALA 36 H ALA 36 22.318 -6.144 -6.144 286 HA ALA 36 HA ALA 36 24.423 -7.279 -7.279 287 1HB ALA 36 2HB ALA 36 24.486 -7.940 -7.940 288 2HB ALA 36 3HB ALA 36 23.359 -9.283 -9.283 289 3HB ALA 36 1HB ALA 36 24.996 -9.310 -9.310 290 H LYS 37 H LYS 37 21.370 -9.005 -9.005 291 HA LYS 37 HA LYS 37 21.988 -10.934 -10.934 292 1HB LYS 37 1HB LYS 37 19.927 -11.440 -11.440 293 2HB LYS 37 2HB LYS 37 19.508 -9.755 -9.755 294 1HG LYS 37 1HG LYS 37 19.043 -9.553 -9.553 295 2HG LYS 37 2HG LYS 37 19.302 -11.292 -11.292 296 1HD LYS 37 1HD LYS 37 17.386 -11.033 -11.033 297 2HD LYS 37 2HD LYS 37 16.968 -9.703 -9.703 298 1HE LYS 37 1HE LYS 37 15.849 -11.971 -11.971 299 2HE LYS 37 2HE LYS 37 16.718 -11.202 -11.202 300 1HZ LYS 37 3HZ LYS 37 18.152 -13.073 -13.073 301 2HZ LYS 37 1HZ LYS 37 17.177 -13.654 -13.654 302 3HZ LYS 37 2HZ LYS 37 18.481 -12.653 -12.653 303 H MET 38 H MET 38 21.654 -7.525 -7.525 304 HA MET 38 HA MET 38 20.949 -6.926 -6.926 305 1HB MET 38 1HB MET 38 21.690 -4.914 -4.914 306 2HB MET 38 2HB MET 38 22.595 -5.715 -5.715 307 1HG MET 38 1HG MET 38 24.653 -5.487 -5.487 308 2HG MET 38 2HG MET 38 23.956 -5.717 -5.717 309 1HE MET 38 3HE MET 38 22.581 -4.139 -4.139 310 2HE MET 38 2HE MET 38 23.030 -2.408 -2.408 311 3HE MET 38 1HE MET 38 24.270 -3.666 -3.666 Start of MODEL 28 1 1H THR 1 2H THR 1 -16.303 -9.137 -9.137 2 2H THR 1 3H THR 1 -15.961 -7.548 -7.548 3 3H THR 1 1H THR 1 -14.833 -8.761 -8.761 4 HA THR 1 HA THR 1 -14.107 -8.876 -8.876 5 HB THR 1 HB THR 1 -15.308 -6.097 -6.097 6 HG1 THR 1 HG1 THR 1 -13.832 -5.284 -5.284 7 1HG2 THR 1 3HG2 THR 1 -12.367 -7.080 -7.080 8 2HG2 THR 1 1HG2 THR 1 -12.935 -5.431 -5.431 9 3HG2 THR 1 2HG2 THR 1 -13.446 -6.774 -6.774 10 HA PRO 2 HA PRO 2 -16.895 -9.925 -9.925 11 1HB PRO 2 1HB PRO 2 -14.912 -8.390 -8.390 12 2HB PRO 2 2HB PRO 2 -15.598 -10.140 -10.140 13 1HG PRO 2 1HG PRO 2 -13.036 -9.621 -9.621 14 2HG PRO 2 2HG PRO 2 -14.225 -10.963 -10.963 15 1HD PRO 2 1HD PRO 2 -13.543 -8.066 -8.066 16 2HD PRO 2 2HD PRO 2 -13.541 -9.601 -9.601 17 H ASP 3 H ASP 3 -17.030 -8.593 -8.593 18 HA ASP 3 HA ASP 3 -19.004 -6.602 -6.602 19 1HB ASP 3 1HB ASP 3 -18.258 -7.658 -7.658 20 2HB ASP 3 2HB ASP 3 -16.920 -6.531 -6.531 21 H VAL 4 H VAL 4 -15.659 -6.283 -6.283 22 HA VAL 4 HA VAL 4 -14.957 -3.653 -3.653 23 HB VAL 4 HB VAL 4 -14.879 -5.816 -5.816 24 1HG1 VAL 4 1HG2 VAL 4 -14.347 -2.947 -2.947 25 2HG1 VAL 4 2HG2 VAL 4 -13.918 -4.458 -4.458 26 3HG1 VAL 4 3HG2 VAL 4 -15.607 -4.060 -4.060 27 1HG2 VAL 4 2HG1 VAL 4 -12.930 -5.362 -5.362 28 2HG2 VAL 4 3HG1 VAL 4 -12.456 -5.274 -5.274 29 3HG2 VAL 4 1HG1 VAL 4 -12.684 -3.774 -3.774 30 H SER 5 H SER 5 -15.978 -1.930 -1.930 31 HA SER 5 HA SER 5 -17.402 -0.488 -0.488 32 1HB SER 5 1HB SER 5 -18.922 -2.904 -2.904 33 2HB SER 5 2HB SER 5 -19.872 -1.746 -1.746 34 HG SER 5 HG SER 5 -19.055 -0.475 -0.475 35 H SER 6 H SER 6 -18.231 -2.007 -2.007 36 HA SER 6 HA SER 6 -17.616 0.653 0.653 37 1HB SER 6 1HB SER 6 -20.154 0.588 0.588 38 2HB SER 6 2HB SER 6 -20.286 -0.794 -0.794 39 HG SER 6 HG SER 6 -19.044 1.635 1.635 40 H ALA 7 H ALA 7 -16.026 -1.438 -1.438 41 HA ALA 7 HA ALA 7 -16.598 -3.184 -3.184 42 1HB ALA 7 2HB ALA 7 -15.940 -4.296 -4.296 43 2HB ALA 7 3HB ALA 7 -14.419 -3.372 -3.372 44 3HB ALA 7 1HB ALA 7 -14.694 -4.593 -4.593 45 H LEU 8 H LEU 8 -14.534 -0.664 -0.664 46 HA LEU 8 HA LEU 8 -12.676 -0.769 -0.769 47 1HB LEU 8 1HB LEU 8 -12.559 0.587 0.587 48 2HB LEU 8 2HB LEU 8 -13.420 1.825 1.825 49 HG LEU 8 HG LEU 8 -10.748 0.675 0.675 50 1HD1 LEU 8 2HD1 LEU 8 -10.439 1.581 1.581 51 2HD1 LEU 8 3HD1 LEU 8 -11.176 3.129 3.129 52 3HD1 LEU 8 1HD1 LEU 8 -9.630 2.611 2.611 53 1HD2 LEU 8 2HD2 LEU 8 -12.219 3.332 3.332 54 2HD2 LEU 8 3HD2 LEU 8 -11.966 1.961 1.961 55 3HD2 LEU 8 1HD2 LEU 8 -10.579 2.911 2.911 56 H ASP 9 H ASP 9 -15.858 0.472 0.472 57 HA ASP 9 HA ASP 9 -15.969 2.371 2.371 58 1HB ASP 9 1HB ASP 9 -17.874 2.122 2.122 59 2HB ASP 9 2HB ASP 9 -18.153 0.474 0.474 60 H LYS 10 H LYS 10 -16.394 -1.112 -1.112 61 HA LYS 10 HA LYS 10 -17.103 -1.238 -1.238 62 1HB LYS 10 1HB LYS 10 -16.574 -3.104 -3.104 63 2HB LYS 10 2HB LYS 10 -15.413 -3.520 -3.520 64 1HG LYS 10 1HG LYS 10 -17.076 -4.604 -4.604 65 2HG LYS 10 2HG LYS 10 -17.948 -3.084 -3.084 66 1HD LYS 10 1HD LYS 10 -19.342 -4.892 -4.892 67 2HD LYS 10 2HD LYS 10 -19.166 -3.539 -3.539 68 1HE LYS 10 1HE LYS 10 -17.882 -4.767 -4.767 69 2HE LYS 10 2HE LYS 10 -16.943 -5.569 -5.569 70 1HZ LYS 10 2HZ LYS 10 -19.322 -6.660 -6.660 71 2HZ LYS 10 3HZ LYS 10 -19.464 -6.376 -6.376 72 3HZ LYS 10 1HZ LYS 10 -18.193 -7.308 -7.308 73 H LEU 11 H LEU 11 -14.021 -1.185 -1.185 74 HA LEU 11 HA LEU 11 -12.660 -1.269 -1.269 75 1HB LEU 11 1HB LEU 11 -11.051 -1.600 -1.600 76 2HB LEU 11 2HB LEU 11 -10.820 -2.361 -2.361 77 HG LEU 11 HG LEU 11 -12.918 -3.142 -3.142 78 1HD1 LEU 11 2HD1 LEU 11 -10.559 -3.786 -3.786 79 2HD1 LEU 11 3HD1 LEU 11 -10.383 -4.617 -4.617 80 3HD1 LEU 11 1HD1 LEU 11 -11.539 -5.221 -5.221 81 1HD2 LEU 11 2HD2 LEU 11 -12.390 -4.422 -4.422 82 2HD2 LEU 11 3HD2 LEU 11 -13.884 -3.615 -3.615 83 3HD2 LEU 11 1HD2 LEU 11 -13.402 -5.142 -5.142 84 H LYS 12 H LYS 12 -13.816 1.102 1.102 85 HA LYS 12 HA LYS 12 -11.467 2.841 2.841 86 1HB LYS 12 1HB LYS 12 -14.413 3.220 3.220 87 2HB LYS 12 2HB LYS 12 -13.520 4.518 4.518 88 1HG LYS 12 1HG LYS 12 -12.145 4.286 4.286 89 2HG LYS 12 2HG LYS 12 -13.787 3.853 3.853 90 1HD LYS 12 1HD LYS 12 -12.935 6.424 6.424 91 2HD LYS 12 2HD LYS 12 -13.204 6.306 6.306 92 1HE LYS 12 1HE LYS 12 -15.505 5.143 5.143 93 2HE LYS 12 2HE LYS 12 -15.231 6.827 6.827 94 1HZ LYS 12 3HZ LYS 12 -15.063 7.316 7.316 95 2HZ LYS 12 1HZ LYS 12 -15.678 5.775 5.775 96 3HZ LYS 12 2HZ LYS 12 -16.586 6.904 6.904 97 H GLU 13 H GLU 13 -10.816 4.605 4.605 98 HA GLU 13 HA GLU 13 -9.699 4.979 4.979 99 1HB GLU 13 1HB GLU 13 -11.722 2.943 2.943 100 2HB GLU 13 2HB GLU 13 -10.630 3.902 3.902 101 1HG GLU 13 1HG GLU 13 -11.994 5.907 5.907 102 2HG GLU 13 2HG GLU 13 -13.242 4.700 4.700 103 H PHE 14 H PHE 14 -10.574 1.576 1.576 104 HA PHE 14 HA PHE 14 -8.053 0.558 0.558 105 1HB PHE 14 1HB PHE 14 -10.102 -0.849 -0.849 106 2HB PHE 14 2HB PHE 14 -10.231 -0.746 -0.746 107 HD1 PHE 14 HD2 PHE 14 -8.453 -1.939 -1.939 108 HD2 PHE 14 HD1 PHE 14 -8.712 -2.525 -2.525 109 HE1 PHE 14 HE2 PHE 14 -7.209 -4.056 -4.056 110 HE2 PHE 14 HE1 PHE 14 -7.468 -4.634 -4.634 111 HZ PHE 14 HZ PHE 14 -6.706 -5.404 -5.404 112 H GLY 15 H GLY 15 -8.674 1.874 1.874 113 1HA GLY 15 1HA GLY 15 -6.279 0.344 0.344 114 2HA GLY 15 2HA GLY 15 -7.358 1.412 1.412 115 H ASN 16 H ASN 16 -7.443 3.574 3.574 116 HA ASN 16 HA ASN 16 -5.088 5.115 5.115 117 1HB ASN 16 1HB ASN 16 -6.773 6.490 6.490 118 2HB ASN 16 2HB ASN 16 -7.390 5.270 5.270 119 1HD2 ASN 16 1HD2 ASN 16 -5.666 8.260 8.260 120 2HD2 ASN 16 2HD2 ASN 16 -6.527 8.254 8.254 121 H THR 17 H THR 17 -5.688 2.896 2.896 122 HA THR 17 HA THR 17 -3.338 3.629 3.629 123 HB THR 17 HB THR 17 -4.705 0.863 0.863 124 HG1 THR 17 HG1 THR 17 -5.880 1.597 1.597 125 1HG2 THR 17 3HG2 THR 17 -3.102 2.035 2.035 126 2HG2 THR 17 1HG2 THR 17 -4.007 0.502 0.502 127 3HG2 THR 17 2HG2 THR 17 -2.582 0.665 0.665 128 H LEU 18 H LEU 18 -3.795 1.394 1.394 129 HA LEU 18 HA LEU 18 -0.909 0.567 0.567 130 1HB LEU 18 1HB LEU 18 -2.632 0.121 0.121 131 2HB LEU 18 2HB LEU 18 -1.420 -0.931 -0.931 132 HG LEU 18 HG LEU 18 -4.148 -0.444 -0.444 133 1HD1 LEU 18 2HD1 LEU 18 -4.495 -1.354 -1.354 134 2HD1 LEU 18 3HD1 LEU 18 -3.377 -2.699 -2.699 135 3HD1 LEU 18 1HD1 LEU 18 -4.913 -2.566 -2.566 136 1HD2 LEU 18 2HD2 LEU 18 -2.051 -2.701 -2.701 137 2HD2 LEU 18 3HD2 LEU 18 -2.486 -1.447 -1.447 138 3HD2 LEU 18 1HD2 LEU 18 -3.672 -2.682 -2.682 139 H GLU 19 H GLU 19 -2.613 3.200 3.200 140 HA GLU 19 HA GLU 19 -0.020 3.885 3.885 141 1HB GLU 19 1HB GLU 19 -2.700 3.818 3.818 142 2HB GLU 19 2HB GLU 19 -2.495 5.511 5.511 143 1HG GLU 19 1HG GLU 19 -0.453 4.052 4.052 144 2HG GLU 19 2HG GLU 19 -1.965 4.615 4.615 145 H ASP 20 H ASP 20 -0.761 4.238 4.238 146 HA ASP 20 HA ASP 20 0.439 7.014 7.014 147 1HB ASP 20 1HB ASP 20 -2.277 6.740 6.740 148 2HB ASP 20 2HB ASP 20 -1.478 6.623 6.623 149 H LYS 21 H LYS 21 -0.501 4.331 4.331 150 HA LYS 21 HA LYS 21 1.958 4.706 4.706 151 1HB LYS 21 1HB LYS 21 0.944 3.169 3.169 152 2HB LYS 21 2HB LYS 21 -0.427 3.187 3.187 153 1HG LYS 21 1HG LYS 21 1.417 1.390 1.390 154 2HG LYS 21 2HG LYS 21 1.641 1.064 1.064 155 1HD LYS 21 1HD LYS 21 -0.879 0.666 0.666 156 2HD LYS 21 2HD LYS 21 -1.022 0.993 0.993 157 1HE LYS 21 1HE LYS 21 1.115 -0.867 -0.867 158 2HE LYS 21 2HE LYS 21 0.085 -1.466 -1.466 159 1HZ LYS 21 3HZ LYS 21 -1.193 -0.660 -0.660 160 2HZ LYS 21 1HZ LYS 21 -0.388 -2.134 -2.134 161 3HZ LYS 21 2HZ LYS 21 -1.668 -1.816 -1.816 162 H ALA 22 H ALA 22 1.057 3.034 3.034 163 HA ALA 22 HA ALA 22 3.857 1.893 1.893 164 1HB ALA 22 2HB ALA 22 1.888 0.545 0.545 165 2HB ALA 22 3HB ALA 22 1.451 1.832 1.832 166 3HB ALA 22 1HB ALA 22 2.966 0.922 0.922 167 H ARG 23 H ARG 23 3.283 4.801 4.801 168 HA ARG 23 HA ARG 23 4.801 5.523 5.523 169 1HB ARG 23 1HB ARG 23 2.408 6.611 6.611 170 2HB ARG 23 2HB ARG 23 3.472 7.630 7.630 171 1HG ARG 23 1HG ARG 23 3.615 8.982 8.982 172 2HG ARG 23 2HG ARG 23 4.661 7.746 7.746 173 1HD ARG 23 1HD ARG 23 2.560 6.565 6.565 174 2HD ARG 23 2HD ARG 23 1.587 7.919 7.919 175 HE ARG 23 HE ARG 23 3.659 8.122 8.122 176 1HH1 ARG 23 2HH2 ARG 23 1.252 9.740 9.740 177 2HH1 ARG 23 1HH2 ARG 23 1.190 11.176 11.176 178 1HH2 ARG 23 1HH1 ARG 23 3.527 9.702 9.702 179 2HH2 ARG 23 2HH1 ARG 23 2.427 11.166 11.166 180 H GLU 24 H GLU 24 4.894 5.360 5.360 181 HA GLU 24 HA GLU 24 7.551 6.850 6.850 182 1HB GLU 24 1HB GLU 24 6.299 5.412 5.412 183 2HB GLU 24 2HB GLU 24 7.515 6.669 6.669 184 1HG GLU 24 1HG GLU 24 5.925 8.426 8.426 185 2HG GLU 24 2HG GLU 24 4.774 7.392 7.392 186 H LEU 25 H LEU 25 6.151 3.667 3.667 187 HA LEU 25 HA LEU 25 8.774 2.275 2.275 188 1HB LEU 25 1HB LEU 25 7.284 0.574 0.574 189 2HB LEU 25 2HB LEU 25 5.964 1.438 1.438 190 HG LEU 25 HG LEU 25 8.062 0.041 0.041 191 1HD1 LEU 25 2HD1 LEU 25 7.345 -1.646 -1.646 192 2HD1 LEU 25 3HD1 LEU 25 5.633 -1.349 -1.349 193 3HD1 LEU 25 1HD1 LEU 25 6.716 -2.069 -2.069 194 1HD2 LEU 25 2HD2 LEU 25 5.040 0.622 0.622 195 2HD2 LEU 25 3HD2 LEU 25 6.401 1.425 1.425 196 3HD2 LEU 25 1HD2 LEU 25 6.070 -0.279 -0.279 197 H ILE 26 H ILE 26 6.768 3.567 3.567 198 HA ILE 26 HA ILE 26 8.911 3.021 3.021 199 HB ILE 26 HB ILE 26 6.116 4.153 4.153 200 1HG1 ILE 26 1HG1 ILE 26 7.369 2.755 2.755 201 2HG1 ILE 26 2HG1 ILE 26 7.082 1.807 1.807 202 1HG2 ILE 26 2HG2 ILE 26 7.330 6.151 6.151 203 2HG2 ILE 26 3HG2 ILE 26 8.135 5.096 5.096 204 3HG2 ILE 26 1HG2 ILE 26 6.379 5.361 5.361 205 1HD1 ILE 26 2HD1 ILE 26 4.629 2.399 2.399 206 2HD1 ILE 26 3HD1 ILE 26 4.857 3.284 3.284 207 3HD1 ILE 26 1HD1 ILE 26 5.150 1.538 1.538 208 H SER 27 H SER 27 9.545 5.128 5.128 209 HA SER 27 HA SER 27 11.122 6.919 6.919 210 1HB SER 27 1HB SER 27 10.012 8.561 8.561 211 2HB SER 27 2HB SER 27 9.287 7.456 7.456 212 HG SER 27 HG SER 27 10.916 9.048 9.048 213 H ARG 28 H ARG 28 10.836 4.994 4.994 214 HA ARG 28 HA ARG 28 13.818 4.856 4.856 215 1HB ARG 28 1HB ARG 28 12.763 4.646 4.646 216 2HB ARG 28 2HB ARG 28 11.427 3.698 3.698 217 1HG ARG 28 1HG ARG 28 13.874 2.089 2.089 218 2HG ARG 28 2HG ARG 28 13.916 2.781 2.781 219 1HD ARG 28 1HD ARG 28 11.604 1.853 1.853 220 2HD ARG 28 2HD ARG 28 11.540 1.198 1.198 221 HE ARG 28 HE ARG 28 12.856 -0.601 -0.601 222 1HH1 ARG 28 2HH2 ARG 28 13.611 2.092 2.092 223 2HH1 ARG 28 1HH2 ARG 28 14.768 1.085 1.085 224 1HH2 ARG 28 1HH1 ARG 28 14.120 -1.626 -1.626 225 2HH2 ARG 28 2HH1 ARG 28 15.049 -0.936 -0.936 226 H ILE 29 H ILE 29 11.206 2.979 2.979 227 HA ILE 29 HA ILE 29 12.694 0.537 0.537 228 HB ILE 29 HB ILE 29 10.220 1.835 1.835 229 1HG1 ILE 29 1HG1 ILE 29 9.239 0.311 0.311 230 2HG1 ILE 29 2HG1 ILE 29 9.672 -0.903 -0.903 231 1HG2 ILE 29 2HG2 ILE 29 11.376 1.147 1.147 232 2HG2 ILE 29 3HG2 ILE 29 11.601 -0.502 -0.502 233 3HG2 ILE 29 1HG2 ILE 29 9.980 0.139 0.139 234 1HD1 ILE 29 2HD1 ILE 29 11.822 -1.433 -1.433 235 2HD1 ILE 29 3HD1 ILE 29 11.370 -0.287 -0.287 236 3HD1 ILE 29 1HD1 ILE 29 10.370 -1.717 -1.717 237 H LYS 30 H LYS 30 12.394 3.567 3.567 238 HA LYS 30 HA LYS 30 13.571 2.831 2.831 239 1HB LYS 30 1HB LYS 30 13.414 5.382 5.382 240 2HB LYS 30 2HB LYS 30 14.666 5.381 5.381 241 1HG LYS 30 1HG LYS 30 12.313 6.290 6.290 242 2HG LYS 30 2HG LYS 30 13.074 5.140 5.140 243 1HD LYS 30 1HD LYS 30 11.581 3.410 3.410 244 2HD LYS 30 2HD LYS 30 10.622 4.888 4.888 245 1HE LYS 30 1HE LYS 30 11.552 3.982 3.982 246 2HE LYS 30 2HE LYS 30 10.039 3.385 3.385 247 1HZ LYS 30 2HZ LYS 30 10.483 6.269 6.269 248 2HZ LYS 30 3HZ LYS 30 10.182 5.629 5.629 249 3HZ LYS 30 1HZ LYS 30 9.070 5.403 5.403 250 H GLN 31 H GLN 31 15.126 3.470 3.470 251 HA GLN 31 HA GLN 31 17.849 3.112 3.112 252 1HB GLN 31 1HB GLN 31 16.867 4.660 4.660 253 2HB GLN 31 2HB GLN 31 17.510 3.287 3.287 254 1HG GLN 31 1HG GLN 31 19.748 3.772 3.772 255 2HG GLN 31 2HG GLN 31 19.029 5.351 5.351 256 1HE2 GLN 31 2HE2 GLN 31 20.006 6.295 6.295 257 2HE2 GLN 31 1HE2 GLN 31 18.861 6.671 6.671 258 H SER 32 H SER 32 16.325 0.900 0.900 259 HA SER 32 HA SER 32 18.184 -1.104 -1.104 260 1HB SER 32 1HB SER 32 16.434 -2.319 -2.319 261 2HB SER 32 2HB SER 32 17.659 -1.214 -1.214 262 HG SER 32 HG SER 32 15.731 -0.573 -0.573 263 H GLU 33 H GLU 33 17.144 -0.653 -0.653 264 HA GLU 33 HA GLU 33 15.322 -3.096 -3.096 265 1HB GLU 33 1HB GLU 33 14.888 -0.247 -0.247 266 2HB GLU 33 2HB GLU 33 14.881 -1.187 -1.187 267 1HG GLU 33 1HG GLU 33 13.178 -2.589 -2.589 268 2HG GLU 33 2HG GLU 33 12.748 -0.898 -0.898 269 H LEU 34 H LEU 34 18.247 -2.705 -2.705 270 HA LEU 34 HA LEU 34 18.949 -2.467 -2.467 271 1HB LEU 34 1HB LEU 34 21.184 -3.461 -3.461 272 2HB LEU 34 2HB LEU 34 20.658 -2.236 -2.236 273 HG LEU 34 HG LEU 34 20.105 -5.200 -5.200 274 1HD1 LEU 34 2HD1 LEU 34 22.585 -4.927 -4.927 275 2HD1 LEU 34 3HD1 LEU 34 22.634 -3.632 -3.632 276 3HD1 LEU 34 1HD1 LEU 34 22.224 -5.299 -5.299 277 1HD2 LEU 34 2HD2 LEU 34 20.316 -2.807 -2.807 278 2HD2 LEU 34 3HD2 LEU 34 18.844 -3.708 -3.708 279 3HD2 LEU 34 1HD2 LEU 34 20.109 -4.509 -4.509 280 H SER 35 H SER 35 18.245 -5.232 -5.232 281 HA SER 35 HA SER 35 17.239 -6.626 -6.626 282 1HB SER 35 1HB SER 35 18.623 -8.797 -8.797 283 2HB SER 35 2HB SER 35 19.405 -7.545 -7.545 284 HG SER 35 HG SER 35 20.015 -8.526 -8.526 285 H ALA 36 H ALA 36 16.333 -5.463 -5.463 286 HA ALA 36 HA ALA 36 16.326 -7.183 -7.183 287 1HB ALA 36 2HB ALA 36 15.655 -4.751 -4.751 288 2HB ALA 36 3HB ALA 36 14.190 -5.119 -5.119 289 3HB ALA 36 1HB ALA 36 14.358 -5.723 -5.723 290 H LYS 37 H LYS 37 13.569 -6.662 -6.662 291 HA LYS 37 HA LYS 37 12.711 -9.540 -9.540 292 1HB LYS 37 1HB LYS 37 11.130 -7.346 -7.346 293 2HB LYS 37 2HB LYS 37 11.064 -7.529 -7.529 294 1HG LYS 37 1HG LYS 37 9.132 -8.686 -8.686 295 2HG LYS 37 2HG LYS 37 10.063 -9.784 -9.784 296 1HD LYS 37 1HD LYS 37 10.536 -11.104 -11.104 297 2HD LYS 37 2HD LYS 37 11.128 -9.726 -9.726 298 1HE LYS 37 1HE LYS 37 8.644 -9.010 -9.010 299 2HE LYS 37 2HE LYS 37 8.154 -10.553 -10.553 300 1HZ LYS 37 2HZ LYS 37 9.747 -11.594 -11.594 301 2HZ LYS 37 3HZ LYS 37 9.707 -10.111 -10.111 302 3HZ LYS 37 1HZ LYS 37 8.287 -10.984 -10.984 303 H MET 38 H MET 38 13.885 -7.381 -7.381 304 HA MET 38 HA MET 38 13.082 -9.298 -9.298 305 1HB MET 38 1HB MET 38 12.827 -7.118 -7.118 306 2HB MET 38 2HB MET 38 14.062 -6.450 -6.450 307 1HG MET 38 1HG MET 38 15.694 -6.554 -6.554 308 2HG MET 38 2HG MET 38 15.266 -8.218 -8.218 309 1HE MET 38 1HE MET 38 16.072 -7.525 -7.525 310 2HE MET 38 3HE MET 38 14.647 -8.272 -8.272 311 3HE MET 38 2HE MET 38 15.176 -6.633 -6.633
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